# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T12:07:56+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical Communications') AND volume = 55 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1550805","7.6952","0.0005","12.1964","0.0008","19.5655","0.0012","90","","97.259","0.003","90","","1821.6","0.2","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sb2-20","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.0687","0.0494","","","0.1078","0.1173","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550806","15.9483","0.0012","18.9098","0.0017","20.1274","0.0015","93.485","0.002","110.627","0.003","109.075","0.002","5261.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","sbe1-01-05","","","- C110 H128 Cu F6 N12 O2 Sb -","- C110 H128 Cu F6 N12 O2 Sb -","- C220 H256 Cu2 F12 N24 O4 Sb2 -","2","1","","Bete, Sarah C.; Würtele, Christian; Otte, Matthias","A bio-inspired imidazole-functionalised copper cage complex","Chemical Communications","2019","55","30","4427","4430","10.1039/C9CC00437H","","","0.71073","MoKα","","0.112","0.086","","","0.2108","0.2336","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:51",""
"1550836","6.8651","0.0005","19.3795","0.0013","18.327","0.0013","90","","99.218","0.002","90","","2406.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghorai, Uttam Kumar; Ghosh, Pradyut","Multitasking behaviour of a small organic compound: solid state bright white-light emission, mechanochromism and ratiometric sensing of Al( <scp>iii</scp> ) and pyrophosphate","Chemical Communications","2019","55","35","5127","5130","10.1039/C8CC10258A","","","0.71073","MoKα","","0.0853","0.0669","","","0.1782","0.1858","","","","","","1.219","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1551245","15.7324","0.0016","13.8338","0.0014","19.0436","0.0019","90","","110.691","0.001","90","","3877.3","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H59 Cl Hf N2 O4 -","- C38 H59 Cl Hf N2 O4 -","- C152 H236 Cl4 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0464","0.0378","","","0.097","0.1006","","","","","","1.079","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551246","15.031","0.0012","15.1732","0.0012","20.3432","0.0017","109.719","0.001","93.383","0.001","116.05","0.001","3804.3","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H90 Cl3 Hf N3 O4 P2 -","- C75 H90 Cl3 Hf N3 O4 P2 -","- C150 H180 Cl6 Hf2 N6 O8 P4 -","2","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0647","0.0531","","","0.1391","0.1461","","","","","","1.048","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551247","16.5953","0.0006","14.0285","0.0005","17.4961","0.0007","90","","96.24","0.001","90","","4049.1","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H62 Cl2 Hf N2 O4 -","- C39 H62 Cl2 Hf N2 O4 -","- C156 H248 Cl8 Hf4 N8 O16 -","4","1","","Lalrempuia, Ralte; Underhaug, Jarl; Törnroos, Karl W.; Le Roux, Erwan","Anionic hafnium species: an active catalytic intermediate for the coupling of epoxides with CO <sub>2</sub> ?","Chemical Communications","2019","55","50","7227","7230","10.1039/C9CC02695A","","","0.71073","MoKα","","0.0442","0.0352","","","0.0895","0.095","","","","","","1.071","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1551248","10.3034","0.0004","11.7652","0.0009","20.357","0.0007","90","","90","","90","","2467.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18.5 H25.5 N2.5 O9.5 Zn2 -","- C14 H15 N O8 Zn2 -","- C56 H60 N4 O32 Zn8 -","4","1","","Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P.","Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid","Chemical Communications","2019","55","51","7319","7322","10.1039/C9CC02861G","","","1.54184","CuKα","","0.0514","0.0441","","","0.1155","0.1209","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552124","8.4591","0.0004","8.6474","0.0004","10.5245","0.0005","100.022","0.004","98.821","0.003","92.677","0.004","747.01","0.06","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","- C24 H14 Co F12 N2 O4 S4 -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0805","0.0581","","","0.1127","0.1245","","","","","","1.064","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552125","8.4587","0.0004","8.5811","0.0005","10.6424","0.0005","99.8","0.003","97.782","0.002","91.947","0.002","752.91","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","- C24 H14 F12 N2 O4 S4 Zn -","1","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","0.71073","MoKα","","0.0505","0.0451","","","0.1005","0.1033","","","","","","1.131","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1552126","28.857","0.002","28.857","0.002","10.4312","0.0007","90","","90","","120","","7522.6","0.9","170","2","170","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H14 F12 Mn N2 O4 S4 -","- C24 H14 F12 Mn N2 O4 S4 -","- C216 H126 F108 Mn9 N18 O36 S36 -","9","0.5","","Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.","Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes","Chemical Communications","2019","55","66","9849","9852","10.1039/C9CC04271G","","","1.54178","CuKα","","0.0918","0.069","","","0.1732","0.1935","","","","","","1.066","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"7122791","16.768","0.009","7.666","0.004","10.656","0.006","90","","101.466","0.013","90","","1342.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.098","0.0634","","","0.1348","0.1477","","","","","","1.062","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122792","12.768","0.009","13.016","0.009","14.519","0.01","110.556","0.017","102.736","0.019","93.865","0.019","2176","3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H12 I8 N6 Pt -","- C2 I8 N6 Pt -","- C8 I32 N24 Pt4 -","4","2","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1456","0.0817","","","0.1936","0.2316","","","","","","0.977","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122793","17.0199","0.0019","7.8309","0.0009","10.837","0.0015","90","","101.705","0.008","90","","1414.3","0.3","264","2","264","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1329","0.058","","","0.0791","0.085","","","","","","1.533","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122794","12.379","0.007","12.379","0.007","7.833","0.005","90","","90","","90","","1200.3","1.2","270","2","270","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H20 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0574","0.0337","","","0.0408","0.0441","","","","","","1.208","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122795","12.3499","0.0019","12.3499","0.0019","7.7278","0.0013","90","","90","","90","","1178.6","0.3","100","2","100","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H10 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0258","0.0217","","","0.0412","0.0422","","","","","","1.047","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122870","10.442","0.002","4.8336","0.0011","12.394","0.003","90","","112.794","0.005","90","","576.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl2 O -","- C12 H12 Cl2 O -","- C24 H24 Cl4 O2 -","2","1","","Xiang, Ming; Luo, Guoshun; Wang, Yuankai; Krische, Michael J.","Enantioselective iridium-catalyzed carbonyl isoprenylation via alcohol-mediated hydrogen transfer.","Chemical communications (Cambridge, England)","2019","55","7","981","","10.1039/c8cc09706b","","","0.71073","MoKα","","0.0305","0.0278","","","0.0648","0.066","","","","","","1.081","","","","has coordinates","213189","2020-10-21","18:00:00",""
"7122950","9.4773","0.0009","13.6425","0.0013","17.4442","0.0017","69.381","0.003","75.821","0.003","87.618","0.003","2044.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H38 Cl2 N2 -","- C53 H38 Cl2 N2 -","- C106 H76 Cl4 N4 -","2","1","","Wang, Huan; Li, Yiru; Zhang, Yiyao; Mei, Ju; Su, Jianhua","A new strategy for achieving single-molecular white-light emission: using vibration-induced emission (VIE) plus aggregation-induced emission (AIE) mechanisms as a two-pronged approach.","Chemical communications (Cambridge, England)","2019","55","13","1879","","10.1039/c8cc08513g","","","0.71073","MoKα","","0.0789","0.054","","","0.1313","0.1505","","","","","","1.017","","","","has coordinates","213532","2020-10-21","18:00:00",""
"7123323","10.1109","0.0012","10.1109","0.0012","10.1109","0.0012","90","","90","","90","","1033.6","0.2","173","2","173","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Pn","","","- Fe15.46 Ni20.54 S32 -","- Fe15.52 Ni20.44 S32 -","- Fe15.52 Ni20.44 S32 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0136","0.0136","","","0.0365","0.0365","","","","","","1.255","","","","has coordinates,has disorder","264425","2021-04-22","18:03:06",""
"7123324","10.1234","0.0003","10.1234","0.0003","10.1234","0.0003","90","","90","","90","","1037.48","0.05","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se1","","","- Fe18.63 Ni17.37 S28.1 Se3.9 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","- Fe18.68 Ni17.32 S28.112 Se3.888 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0105","0.0104","","","0.0229","0.0229","","","","","","1.067","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7123325","10.3275","0.0002","10.3275","0.0002","10.3275","0.0002","90","","90","","90","","1101.5","0.04","103","2","103","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Se4","","","- Fe20.12 Ni15.88 S17.14 Se14.86 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","- Fe20.04 Ni15.96 S17.152 Se14.848 -","1","0.00520833","","Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter","Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution","Chemical Communications","2019","55","60","8792","8795","10.1039/C9CC01842E","","","0.71073","MoKα","","0.0213","0.021","","","0.0537","0.0538","","","","","","1.309","","","","has coordinates,has disorder","264425","2021-04-22","18:03:07",""
"7125354","34.603","0.002","9.5694","0.0006","20.2633","0.0012","90","","120.599","0.002","90","","5775.5","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Fentanyl citrate hydrate","","- C224 H306 N16 O74 -","- C224 H304 N16 O73 -","- C224 H304 N16 O73 -","1","0.125","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0766","0.0516","","","0.1193","0.1329","","","","","","1.018","","","","has coordinates,has disorder","236779","2020-10-21","18:00:00",""
"7125355","17.904","0.0012","9.6858","0.0006","19.3593","0.0013","90","","108.125","0.003","90","","3190.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fentanyl citrate toluene solvate","","- C35 H44 N2 O8 -","- C35 H44 N2 O8 -","- C140 H176 N8 O32 -","4","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0648","0.049","","","0.1363","0.1511","","","","","","1.053","","","","has coordinates","236779","2020-10-21","18:00:00",""
"7125356","8.963","0.0005","11.2533","0.0007","14.874","0.0009","109.411","0.002","96.728","0.002","107.486","0.002","1309.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Fentanyl citrate","","- C28 H36 N2 O8 -","- C28 H36 N2 O8 -","- C56 H72 N4 O16 -","2","1","","Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio","H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.","Chemical communications (Cambridge, England)","2019","55","1","115","118","10.1039/c8cc09028a","","","0.71073","MoKα","","0.0514","0.0406","","","0.1017","0.1083","","","","","","1.027","","","","has coordinates","236779","2020-10-21","18:00:00",""
"7125357","11.687","0.002","9.657","0.0019","11.95","0.002","90","","96.8","0.03","90","","1339.2","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N O2 S -","- C12 H11 Cl2 N O2 S -","- C48 H44 Cl8 N4 O8 S4 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","0.71073","MoKα","","0.1062","0.0954","","","0.2761","0.2893","","","","","","1.0563","","","","has coordinates,has disorder","236782","2020-10-21","18:00:00",""
"7125358","7.9156","0.0001","9.8147","0.0002","15.3289","0.0002","90","","90","","90","","1190.89","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","1.54184","CuKα","","0.0315","0.0314","","","0.085","0.0856","","","","","","1.056","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125359","7.583","0.0002","6.1506","0.0001","25.4866","0.0005","90","","95.003","0.002","90","","1184.17","0.04","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","1.54184","CuKα","","0.0453","0.0399","","","0.1009","0.1062","","","","","","1.0693","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125360","7.3625","0.0004","9.5369","0.0004","16.9216","0.0007","90","","94.933","0.004","90","","1183.76","0.1","293.67","0.1","293.67","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N2 O2 S -","- C3 H6 N2 O2 S -","- C24 H48 N16 O16 S8 -","8","2","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.0882","0.0934","","","","","","1.0733","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125361","14.0809","0.001","12.1296","0.0005","21.4422","0.001","90","","90","","90","","3662.2","0.3","291.37","0.11","291.37","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C128 H160 N16 O48 S8 -","8","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0628","0.0474","","","0.1241","0.1385","","","","","","1.0479","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125362","13.051","0.014","18.73","0.02","19.67","0.02","90","","90.889","0.01","90","","4808","9","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C92 H90 N8 O16 -","- C92 H90 N8 O16 -","- C184 H180 N16 O32 -","2","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.71075","MoKα","","0.096","0.0789","","","0.2119","0.227","","","","","","1.089","","","","has coordinates,has disorder","236784","2020-10-21","18:00:00",""
"7125363","33.668","0.002","33.668","0.002","33.668","0.002","90","","90","","90","","38164","4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C96 H92 F12 N8 O28 S4 -","- C96 H92 F12 N8 O28 S4 -","- C1152 H1104 F144 N96 O336 S48 -","12","0.5","","Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro","Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation.","Chemical communications (Cambridge, England)","2019","55","20","2992","2995","10.1039/c8cc09667h","","","0.7015","synchrotron","","0.1354","0.1133","","","0.3122","0.3369","","","","","","1.349","","","","has coordinates","236784","2020-10-21","18:00:00",""
"7125364","28.8044","0.0017","13.8129","0.0008","17.8677","0.001","90","","91.37","0.001","90","","7107","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H48.5 Cl3.5 F24 N4 P4 -","- C56 H46 F24 N4 P4 -","- C224 H184 F96 N16 P16 -","4","1","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.1145","0.0998","","","0.2686","0.2799","","","","","","1.082","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125365","39.9","0.011","9.539","0.003","26.857","0.008","90","","90","","90","","10222","5","153","2","153","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C108 H140 F24 N4 O8 P4 -","- C76 H60 F24 N4 P4 -","- C304 H240 F96 N16 P16 -","4","0.25","","Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping","Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water.","Chemical communications (Cambridge, England)","2019","55","16","2372","2375","10.1039/c9cc00599d","","","0.71073","MoKα","","0.09","0.0729","","","0.2589","0.275","","","","","","1.125","","","","has coordinates,has disorder","237827","2020-10-21","18:00:00",""
"7125366","9.3179","0.0004","12.5656","0.0006","18.0807","0.0008","70.915","0.004","81.783","0.004","85.771","0.004","1979.25","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 Mg N3 O -","- C41 H67 Mg N3 O -","- C82 H134 Mg2 N6 O2 -","2","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0925","0.0636","","","0.1507","0.1694","","","","","","1.026","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125367","13.0738","0.0004","14.2398","0.0005","19.0456","0.0006","90","","92.872","0.003","90","","3541.2","0.2","123.4","","123.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H98 Mg2 N10 -","- C77 H98 Mg2 N10 -","- C154 H196 Mg4 N20 -","2","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0704","0.0497","","","0.1173","0.1297","","","","","","1.019","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125368","18.4812","0.0009","18.3287","0.001","10.6762","0.0005","90","","90.832","0.004","90","","3616","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 Mg N3 -","- C41 H51 Mg N3 -","- C164 H204 Mg4 N12 -","4","1","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","0.71073","MoKα","","0.0742","0.0474","","","0.1093","0.1224","","","","","","1.032","","","","has coordinates","237829","2020-10-21","18:00:00",""
"7125369","19.736","0.0005","20.5218","0.0004","17.9367","0.0004","90","","112.105","0.003","90","","6730.7","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H110 Mg2 N6 -","- C75 H110 Mg2 N6 -","- C300 H440 Mg8 N24 -","4","0.5","","Bole, Leonie J.; Davin, Laia; Kennedy, Alan R.; McLellan, Ross; Hevia, Eva","Magnesium-mediated arylation of amines via C-F bond activation of fluoroarenes.","Chemical communications (Cambridge, England)","2019","55","30","4339","4342","10.1039/c9cc01670h","","","1.54184","CuKα","","0.0588","0.0503","","","0.134","0.1421","","","","","","1.025","","","","has coordinates,has disorder","237829","2020-10-21","18:00:00",""
"7125370","21.231","0.008","21.328","0.008","20.064","0.007","90","","90","","90","","9085","6","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C56 H96 N4 O20 P4 S4 Zn4 -","- C56 H96 N4 O20 P4 S4 Zn4 -","- C224 H384 N16 O80 P16 S16 Zn16 -","4","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0741","0.0726","","","0.17","0.171","","","","","","1.092","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125371","16.942","0.005","16.942","0.005","15.489","0.005","90","","90","","90","","4446","2","120","2","120","2","","","","","","","","6","I -4","I -4","82","","","","- C15 H24 N O6 P Zn -","- C15 H24 N O6 P Zn -","- C120 H192 N8 O48 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.0297","0.0285","","","0.0708","0.0715","","","","","","1.042","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125372","18.2767","0.0004","18.2767","0.0004","30.7812","0.0009","90","","90","","90","","10282.1","0.4","396","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C36 H43 N8 O8 P2 Zn2 -","- C36 H43 N8 O8 P2 Zn2 -","- C288 H344 N64 O64 P16 Zn16 -","8","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.1491","0.0955","","","0.2324","0.2683","","","","","","1.07","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125373","16.7211","0.0002","16.7211","0.0002","15.5352","0.0004","90","","90","","90","","4343.57","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H24 N O8 P Zn -","- C14 H24 N O8 P Zn -","- C112 H192 N8 O64 P8 Zn8 -","8","1","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71073","MoKα","","0.0415","0.0393","","","0.1041","0.1067","","","","","","1.08","","","","has coordinates","237833","2020-10-21","18:00:00",""
"7125374","18.9546","0.0005","18.9546","0.0005","13.4969","0.0004","90","","90","","90","","4849.1","0.2","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C25 H19 Cu2 O12 -","- C25 H16 Cu2 O12 -","- C100 H64 Cu8 O48 -","4","0.25","","Hu, Falu; Huang, Pan; Di, Zhengyi; Wu, Mingyan; Jiang, Feilong; Hong, Maochun","A robust cage-based framework for the highly selective purification of natural gas.","Chemical communications (Cambridge, England)","2019","55","69","10257","10260","10.1039/c9cc03354h","","","1.54184","CuKα","","0.0831","0.0591","","","0.1609","0.1789","","","","","","0.977","","","","has coordinates","237836","2020-10-21","18:00:00",""
"7125375","9.0479","0.0009","10.7246","0.0011","25.204","0.003","90","","98.105","0.004","90","","2421.2","0.5","193","2","192.98","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50.04 H35.42 F6 Ir N4 O2 P S2 -","- C50.05 H35.7 F6 Ir N4 O2 P S2 -","- C100.1 H71.4 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","1.34139","GaKα","","0.0513","0.0456","","","0.114","0.1188","","","","","","1.025","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125376","11.182","0.0006","15.6943","0.0008","30.695","0.0016","90","","90","","90","","5386.8","0.5","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.076","0.0434","","","0.0971","0.1077","","","","","","0.9142","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125377","11.0991","0.0011","15.4078","0.0016","31.051","0.003","90","","90","","90","","5310.1","0.9","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0697","0.0525","","","0.1385","0.1479","","","","","","1.0186","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125378","9.0612","0.0005","10.7892","0.0006","25.3691","0.0014","90","","97.738","0.001","90","","2457.6","0.2","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H36 F6 Ir N4 O2 P S2 -","- C50 H36 F6 Ir N4 O2 P S2 -","- C100 H72 F12 Ir2 N8 O4 P2 S4 -","2","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0567","0.0435","","","0.094","0.0997","","","","","","0.9963","","","","has coordinates,has disorder","237837","2020-10-21","18:00:00",""
"7125379","8.7656","0.0013","10.8058","0.0015","19.768","0.003","95.71","0.008","99.202","0.008","112.242","0.008","1684.3","0.4","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C29 H16 Cl4 F6 N3 O8 P S2 -","- C58 H32 Cl8 F12 N6 O16 P2 S4 -","2","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.0492","0.0359","","","0.0886","0.0964","","","","","","1.0498","","","","has coordinates","237839","2020-10-21","18:00:00",""
"7125380","10.6663","0.0004","25.7596","0.001","16.1421","0.0007","90","","100.574","0.002","90","","4359.9","0.3","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 F6 N4 O9 P S2 -","- C43 H37 F6 N4 O9 P S2 -","- C172 H148 F24 N16 O36 P4 S8 -","4","1","","Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.","P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.","Chemical communications (Cambridge, England)","2019","55","61","8971","8974","10.1039/c9cc04010b","","","0.71073","MoKα","","0.1131","0.0565","","","0.1249","0.1533","","","","","","1.0891","","","","has coordinates,has disorder","237839","2020-10-21","18:00:00",""
"7125381","9.1082","0.001","9.8312","0.001","9.9666","0.0011","93.655","0.001","98.898","0.001","90.006","0.001","879.88","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl3 Co N4 -","- C14 H16 Cl3 Co N4 -","- C28 H32 Cl6 Co2 N8 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.037","0.0332","","","0.0925","0.0961","","","","","","1.066","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125382","8.6064","0.0012","28.201","0.004","29.216","0.004","90","","90","","90","","7091","1.7","100","","100","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C14 H16 Cl2 N4 Zn -","- C14 H16 Cl2 N4 Zn -","- C224 H256 Cl32 N64 Zn16 -","16","0.5","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0397","0.0299","","","0.0784","0.0842","","","","","","1.07","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125383","9.1131","0.0016","11.477","0.002","18.784","0.003","98.812","0.002","92.127","0.002","91.893","0.002","1938.6","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl4 Fe2 N8 O -","- C28 H32 Cl4 Fe2 N8 O -","- C56 H64 Cl8 Fe4 N16 O2 -","2","1","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0715","0.0588","","","0.1574","0.1645","","","","","","1.058","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125384","17.178","0.005","8.837","0.003","12.505","0.004","90","","112.309","0.003","90","","1756.2","1","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H32 Cl4 N8 Ni2 -","- C28 H32 Cl4 N8 Ni2 -","- C56 H64 Cl8 N16 Ni4 -","2","0.25","","Sakaguchi, Yuto; Call, Arnau; Cibian, Mihaela; Yamauchi, Kosei; Sakai, Ken","An earth-abundant system for light-driven CO<sub>2</sub> reduction to CO using a pyridinophane iron catalyst.","Chemical communications (Cambridge, England)","2019","55","59","8552","8555","10.1039/c9cc04191e","","x-ray","0.71073","MoKα","","0.0777","0.0565","","","0.1521","0.1644","","","","","","1.04","","","","has coordinates","237840","2020-10-21","18:00:00",""
"7125385","11.9568","0.0007","12.3682","0.0008","14.6936","0.001","109.732","0.006","92.669","0.005","92.147","0.005","2039.9","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H31 Cl3 N2 O4 S -","- C53 H31 Cl3 N2 O4 S -","- C106 H62 Cl6 N4 O8 S2 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1232","0.0885","","","0.2358","0.2528","","","","","","1.085","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125386","20.1536","0.0004","20.1536","0.0004","55.493","0.002","90","","90","","90","","22539.5","1","99.97","0.16","99.97","0.16","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72.89 H33.78 Cl0 F8.89 N3.56 O10.67 -","- C72.8889 H33.7778 F8.88889 N3.55556 O10.6667 -","- C656 H304 F80 N32 O96 -","9","0.5625","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.1782","0.1311","","","0.3318","0.3889","","","","","","1.18","","","","has coordinates","237842","2020-10-21","18:00:00",""
"7125387","12.9539","0.0016","14.4757","0.0018","14.725","0.0018","70.698","0.003","66.001","0.003","67.022","0.003","2273.4","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl0 F0 N4 O -","- C46 H20 Cl3 F11 N2 O8 -","- C92 H40 Cl6 F22 N4 O16 -","2","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","","0.71073","MoKα","","0.0531","0.0478","","","0.1351","0.1395","","","","","","1.058","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125388","19.5016","0.0003","35.2797","0.0007","23.3317","0.0006","90","","90.269","0.002","90","","16052.3","0.6","99.95","0.18","99.95","0.18","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H72 Cl12 F20 N8 O16 -","- C168 H72 Cl12 F20 N8 O16 -","- C672 H288 Cl48 F80 N32 O64 -","4","1","","Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee","meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.","Chemical communications (Cambridge, England)","2019","55","65","9693","9696","10.1039/c9cc04607k","","x-ray","1.54184","CuKα","","0.177","0.0943","","","0.245","0.3053","","","","","","1.008","","","","has coordinates,has disorder","237842","2020-10-21","18:00:00",""
"7125389","11.4575","0.0001","10.6962","0.0001","27.0458","0.0002","90","","90","","90","","3314.51","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H28 N4 O2 -","- C36 H28 N4 O2 -","- C144 H112 N16 O8 -","4","0.5","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.0431","0.0404","","","0.1154","0.1217","","","","","","1.053","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125390","9.64598","0.00005","27.23322","0.00015","18.74004","0.0001","90","","101.926","0.0005","90","","4816.59","0.05","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O4 -","- C60 H44 N8 O4 -","- C240 H176 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54184","CuKα","","0.051","0.0466","","","0.1306","0.1355","","","","","","1.054","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125391","14.9786","0.0004","9.059","0.0002","57.2212","0.0011","90","","94.208","0.002","90","","7743.5","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H48 N8 O4 -","- C80 H48 N8 O4 -","- C320 H192 N32 O16 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","x-ray","1.54178","CuKα","","0.0968","0.0832","","","0.2327","0.2421","","","","","","1.089","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125392","19.6993","0.0003","13.7805","0.0002","17.3821","0.0003","90","","92.071","0.002","90","","4715.57","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H32 N8 O6 -","- C54 H32 N8 O6 -","- C216 H128 N32 O24 -","4","1","","Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng","Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.","Chemical communications (Cambridge, England)","2019","55","64","9559","9562","10.1039/c9cc04995a","","","1.54178","CuKα","","0.0821","0.0644","","","0.1927","0.2088","","","","","","1.069","","","","has coordinates","237844","2020-10-21","18:00:00",""
"7125393","11.433","0.0016","14.879","0.002","25.862","0.004","88.484","0.003","84.89","0.003","77.817","0.003","4283.1","1.1","175","2","175","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H108 Cl16 Cu0 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","- C84 H108 Cl16 Fe15 N14 O34 -","1","0.5","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0985","0.0756","","","0.2282","0.2422","","","","","","1","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125394","11.4027","0.0018","54.461","0.008","18.009","0.003","90","","112.514","0.008","90","","10331","3","175","2","175","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C40 H48 Cl6 Cu Fe7 I N6 O17 -","- C160 H192 Cl24 Cu4 Fe28 I4 N24 O68 -","4","1","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.1313","0.0964","","","0.249","0.2619","","","","","","1.009","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125395","22.375","0.002","23.965","0.002","27.502","0.003","90","","90","","90","","14747","2","175","2","175","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C320 H384 Cl48 Cu0 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","- C320 H384 Cl48 Fe56 N48 O120 -","1","0.0625","","Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian","Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.","Chemical communications (Cambridge, England)","2019","55","72","10729","10732","10.1039/c9cc04999a","","","0.71073","MoKα","","0.0423","0.0375","","","0.109","0.1114","","","","","","1.004","","","","has coordinates","237846","2020-10-21","18:00:00",""
"7125396","10.3308","0.0002","11.4554","0.0003","23.6689","0.0006","90","","90","","90","","2801.06","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N7 Ni O5 S2 -","- C25 H21 N7 Ni O5 S2 -","- C100 H84 N28 Ni4 O20 S8 -","4","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.0601","0.0486","","","0.1182","0.1348","","","","","","1.058","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125397","8.758","0.004","11.248","0.005","12.524","0.006","65.786","0.006","84.967","0.007","71.813","0.006","1067.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 N9 Ni O4 S2 -","- C13 H15 N9 Ni O4 S2 -","- C26 H30 N18 Ni2 O8 S4 -","2","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.088","0.0606","","","0.1493","0.1635","","","","","","1.05","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125398","32.1592","0.0012","32.1592","0.0012","10.0314","0.0004","90","","90","","90","","10374.6","0.7","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H23 N11 Ni O2 -","- C17 H23 N11 Ni O2 -","- C272 H368 N176 Ni16 O32 -","16","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.1076","0.0641","","","0.1895","0.2088","","","","","","1.026","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125399","32.1098","0.0004","13.472","0.0002","5.7153","0.0001","90","","90","","90","","2472.34","0.06","100","2","100","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C24 H28 N4 O S3 -","- C24 H28 N4 O S3 -","- C96 H112 N16 O4 S12 -","4","0.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0352","0.0345","","","0.0933","0.0937","","","","","","1.092","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125400","33.788","0.0002","23.8727","0.0001","44.3077","0.0002","90","","90","","90","","35739.1","0.3","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58.6667 H61.3333 Cu6 N12 O0.166667 S3 -","- C1408 H1472 Cu144 N288 O4 S72 -","24","1.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.0806","0.0703","","","0.1881","0.2023","","","","","","1.018","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125401","33.7716","0.0002","71.5841","0.0003","44.3018","0.0002","90","","90","","90","","107100","0.9","100","2","100","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C58.667 H61.333 Cu6 N12 O0.167 S3 -","- C58 H60 Cu6 N12 S3 -","- C4176 H4320 Cu432 N864 S216 -","72","4.5","","Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan","A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction.","Chemical communications (Cambridge, England)","2019","55","80","11992","11995","10.1039/c9cc05236d","","","1.54184","CuKα","","0.2064","0.15","","","0.4155","0.4645","","","","","","3.001","","","","has coordinates,has disorder","237852","2020-10-21","18:00:00",""
"7125402","22.724","0.008","22.724","0.008","16.435","0.007","90","","90","","90","","8487","6","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C128 H156 Cl12 N24 Ni6 O24 Si8 -","- C128 H120 Cl12 N24 Ni6 O18 Si8 -","- C256 H240 Cl24 N48 Ni12 O36 Si16 -","2","0.25","","Kumar, Kilaparthi Sravan; Mane, Vishwanath S.; Yadav, Ashok; Kumbhar, Avinash S.; Boomishankar, Ramamoorthy","Photochemical hydrogen evolution from water by a 1D-network of octahedral Ni<sub>6</sub>L<sub>8</sub> cages.","Chemical communications (Cambridge, England)","2019","55","87","13156","13159","10.1039/c9cc06286f","","","0.71073","MoKα","","0.1745","0.088","","","0.2341","0.2959","","","","","","1.033","","","","has coordinates,has disorder","237855","2020-10-21","18:00:00",""
"7125403","11.6694","0.0003","10.1505","0.0003","17.4217","0.0005","90","","96.448","0.003","90","","2050.55","0.1","110.15","0.1","110.15","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-oxaphosphinine 2-oxide","rel-(R,R,R)-2-ethoxy-3-(4-bromophenyl)-4,6-diphenyl-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C24 H22 Br O3 P -","- C24 H22 Br O3 P -","- C96 H88 Br4 O12 P4 -","4","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0448","0.0343","","","0.068","0.0723","","","","","","1.032","","","","has coordinates","237857","2020-10-21","18:00:00",""
"7125404","17.8304","0.0014","17.8304","0.0014","36.593","0.017","90","","90","","120","","10075","5","108.05","0.1","108.05","0.1","","","","","","","","5","R -3 :H","-R 3","148","1,2-oxaphosphinine 2-oxide","rel-(2R,3S,4R)-2-ethoxy-4,6-diphenyl-3-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1,2-oxaphosphinine 2-oxide","","- C25 H22 F3 O3 P -","- C25 H22 F3 O3 P -","- C450 H396 F54 O54 P18 -","18","1","","Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi","Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution.","Chemical communications (Cambridge, England)","2019","55","87","13124","13127","10.1039/c9cc06352h","","x-ray","0.71073","MoKα","","0.0702","0.0494","","","0.0996","0.1102","","","","","","1.03","","","","has coordinates,has disorder","237857","2020-10-21","18:00:00",""
"7125405","9.3032","0.0004","11.5641","0.0004","12.6329","0.0006","111.392","0.004","106.122","0.004","101.324","0.003","1146.41","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H27 Cl2 N2 O4 P Pt -","- C19 H27 Cl2 N2 O4 P Pt -","- C38 H54 Cl4 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0341","0.0287","","","0.0552","0.0579","","","","","","1.018","","","","has coordinates,has disorder","237859","2020-10-21","18:00:00",""
"7125406","9.6106","0.0012","20.423","0.003","10.6731","0.0013","90","","96.686","0.002","90","","2080.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N2 O3 P Pt -","- C16 H18 Cl3 N2 O3 P Pt -","- C64 H72 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0384","0.0274","","","0.0748","0.0877","","","","","","1.096","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125407","9.22386","0.00014","13.26158","0.00018","18.9212","0.0003","90","","102.596","0.0015","90","","2258.79","0.06","293","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl2 N2 O4 P Pt -","- C18 H25 Cl2 N2 O4 P Pt -","- C72 H100 Cl8 N8 O16 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1241","0.1175","","","0.2747","0.2803","","","","","","1.0348","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125408","8.366","0.003","11.425","0.004","14.15","0.005","95.168","0.006","106.359","0.006","106.779","0.006","1220.7","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl4 N2 O3 P Pt -","- C18 H23 Cl4 N2 O3 P Pt -","- C36 H46 Cl8 N4 O6 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.1098","0.1012","","","0.2943","0.3041","","","","","","1.313","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125409","8.7652","0.0003","14.5838","0.0006","19.6786","0.001","90","","116.45","0.002","90","","2252.2","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Cl3 N2 O3 P Pt -","- C17 H22 Cl3 N2 O3 P Pt -","- C68 H88 Cl12 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.1147","0.0898","","","0.2661","0.3076","","","","","","1.139","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125410","8.5496","0.001","11.5478","0.0014","12.5966","0.0015","83.444","0.002","85.19","0.002","71.014","0.002","1166.9","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl3 N2 O4 P Pt -","- C19 H26 Cl3 N2 O4 P Pt -","- C38 H52 Cl6 N4 O8 P2 Pt2 -","2","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0282","0.026","","","0.071","0.0724","","","","","","1.08","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125411","12.064","0.002","16.098","0.003","22.941","0.004","90","","90","","90","","4455.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl3 N2 O4 P Pt -","- C17 H22 Cl3 N2 O4 P Pt -","- C136 H176 Cl24 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0394","0.0249","","","0.0503","0.0553","","","","","","1.048","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125412","8.141","0.0012","17.253","0.003","16.187","0.003","90","","104.267","0.002","90","","2203.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl4 N2 O3 P Pt -","- C16 H19 Cl4 N2 O3 P Pt -","- C64 H76 Cl16 N8 O12 P4 Pt4 -","4","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0387","0.0242","","","0.0495","0.0549","","","","","","1.016","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125413","10.0411","0.0005","14.3523","0.0008","29.091","0.002","90","","90","","90","","4192.4","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl2 N2 O4 P Pt -","- C17 H23 Cl2 N2 O4 P Pt -","- C136 H184 Cl16 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0922","0.0787","","","0.182","0.1969","","","","","","1.049","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125414","14.5333","0.000016","14.5333","0.000016","7.83602","0.000013","90","","90","","90","","1655.1","0.004","150","","150","","","","","","","","synthesized","4","P 42/n :2","-P 4bc","86","","","","- C33 H44 N8 O4 -","- C33 H44 N8 O4 -","- C66 H88 N16 O8 -","2","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","","1.54184","CuKα","","0.0511","0.0499","","0.1348","0.1326","0.1348","","","","","","1.0161","","","","has coordinates","237861","2020-10-21","18:00:00",""
"7125415","13.38177","0.00008","13.38177","0.00008","21.7501","0.00018","90","","90","","90","","3894.83","0.05","150","0.1","150","","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C33 H36 N8 O15 -","- C33 H36 N8 O15 -","- C132 H144 N32 O60 -","4","0.25","","Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.","A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.","Chemical communications (Cambridge, England)","2019","55","80","12020","12023","10.1039/c9cc06707h","","x-ray","1.54184","CuKα","","0.0845","0.081","","","0.2398","0.2466","","","","","","1.079","","","","has coordinates,has disorder","237861","2020-10-21","18:00:00",""
"7125416","27.9512","0.0008","32.0897","0.0008","25.2538","0.0006","90","","90","","90","","22651.3","1","101","2","101","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C78 H42 N4 O16 Zn3 -","- C78 H42 N4 O16 Zn3 -","- C624 H336 N32 O128 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","","0.71076","MoKα","","0.1192","0.0567","","","0.1376","0.15","","","","","","1.011","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125417","31.8382","0.0004","28.3102","0.0003","19.3354","0.0003","90","","90","","90","","17427.9","0.4","200","0.1","200","0.1","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C66 H40 N2 O12 Zn3 -","- C66 H40 N2 O12 Zn3 -","- C528 H320 N16 O96 Zn24 -","8","1","","Cao, Li-Hui; Liu, Xin; Tang, Xiao-Han; Liu, Junyi; Xu, Xiao-Qian; Zang, Shuang-Quan; Ma, Yang-Min","A fivefold linker length reduction in an interpenetrated metal-organic framework via sequential solvent-assisted linker exchange.","Chemical communications (Cambridge, England)","2019","55","84","12671","12674","10.1039/c9cc06739f","","x-ray","1.54184","CuKα","","0.139","0.1247","","","0.45","0.47","","","","","","1.037","","","","has coordinates","237863","2020-10-21","18:00:00",""
"7125418","9.9221","0.0005","9.9221","0.0005","16.2619","0.0008","90","","90","","90","","1600.95","0.14","153","","153","","","","","","","","","4","P 4","P 4","75","","","","- C30 H38 B10 N2 -","- C30 H38 B10 N2 -","- C60 H76 B20 N4 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0668","0.0667","","","0.2079","0.208","","","","","","1.143","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125419","13.5625","0.0006","14.0717","0.0006","27.7111","0.0011","100.471","0.001","99.975","0.001","95.016","0.001","5083.2","0.4","153","","153.01","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 B10 -","- C6.5 H7 B2.5 -","- C52 H56 B20 -","8","4","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0426","0.0412","","","0.1029","0.1041","","","","","","1.04","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125420","20.3497","0.0007","11.0447","0.0003","28.6138","0.0009","90","","110.692","0.002","90","","6016.3","0.3","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 B40 O8 -","- C104 H112 B40 O8 -","- C208 H224 B80 O16 -","2","0.5","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.34139","GaKα","","0.29","0.2351","","","0.5474","0.5766","","","","","","2.211","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125421","11.4542","0.0004","14.4867","0.0005","17.2981","0.0006","90","","94.005","0.001","90","","2863.33","0.17","153","","152.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B10 O2 -","- C28 H32 B10 O2 -","- C112 H128 B40 O8 -","4","1","","Liu, Ke; Zhang, Jing; Xu, Ling; Liu, Jing; Ding, Liping; Liu, Taihong; Fang, Yu","Film-based fluorescence sensing: a ""chemical nose"" for nicotine.","Chemical communications (Cambridge, England)","2019","55","84","12679","12682","10.1039/c9cc06771j","","","1.54178","CuKα","","0.0431","0.0407","","","0.1054","0.1077","","","","","","1.0536","","","","has coordinates","237865","2020-10-21","18:00:00",""
"7125422","10.7797","0.0002","8.0018","0.0002","25.0126","0.0006","90","","94.381","0.001","90","","2151.21","0.08","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 I N2 O2 -","- C24 H23 I N2 O2 -","- C96 H92 I4 N8 O8 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","0.71073","MoKα","","0.0732","0.0393","","","0.0725","0.0827","","","","","","1.018","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125423","11.7674","0.001","5.8992","0.0005","17.3999","0.0015","90","","96.609","0.008","90","","1199.84","0.18","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","","1.54184","CuKα","","0.1092","0.0967","","","0.2119","0.2219","","","","","","1.0188","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125424","16.3679","0.00012","7.39194","0.00005","19.97192","0.00013","90","","104.187","0.0007","90","","2342.72","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N3 O4 -","- C26 H22 Cl N3 O4 -","- C104 H88 Cl4 N12 O16 -","4","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","Cation-π interactions secure aggregation induced emission of planar organic luminophores.","Chemical communications (Cambridge, England)","2019","55","84","12663","12666","10.1039/c9cc06829e","","x-ray","1.54184","CuKα","","0.0667","0.0649","","","0.224","0.2271","","","","","","1.0415","","","","has coordinates","237867","2020-10-21","18:00:00",""
"7125733","15.086","0.011","21.938","0.016","10.094","0.008","90","","93.185","0.01","90","","3336","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F2 N -","- C22 H15 F2 N -","- C176 H120 F16 N8 -","8","2","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.1093","0.0652","","","0.1835","0.2228","","","","","","1.052","","","","has coordinates","246587","2020-10-21","18:00:00",""
"7125734","7.552","0.005","6.143","0.004","31.83","0.02","90","","94.706","0.008","90","","1471.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C72 H56 F8 N8 O4 -","4","1","","Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen","Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation.","Chemical communications (Cambridge, England)","2019","55","27","3927","3930","10.1039/c9cc00984a","","","0.71073","MoKα","","0.0406","0.033","","","0.0832","0.0889","","","","","","1.044","","","","has coordinates","246587","2020-10-21","18:00:00",""
"7125735","7.6379","0.0008","13.856","0.0015","15.3484","0.0016","84.804","0.004","85.101","0.004","74.968","0.003","1559.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 N12 O8 S4 -","- C68 H60 N12 O8 S4 -","- C68 H60 N12 O8 S4 -","1","0.5","","Chen, Wenqiang; Fu, Li; Chen, Chunfei; Xiao, Junan; Li, Wenxiu; Zhang, Liangliang; Xiao, Qi; Huang, Chusheng; Sheng, Jiarong; Song, Xiangzhi","Unexpected reaction patterns enable simultaneous differentiation of H<sub>2</sub>S, H<sub>2</sub>S<sub>n</sub> and biothiols.","Chemical communications (Cambridge, England)","2019","55","56","8130","8133","10.1039/c9cc03054a","","","0.71076","MoKα","","0.2052","0.0724","","","0.1305","0.1657","","","","","","1.006","","","","has coordinates","246588","2020-10-21","18:00:00",""
"7125736","23.5105","0.0004","23.5105","0.0004","40.205","0.003","90","","90","","90","","22223.1","1.7","99.99","0.16","99.99","0.16","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","3D-T4-SnOS","","- C48 H133 N9 O23 S32 Sn20 -","- O10 S32 Sn20 -","- O80 S256 Sn160 -","8","0.25","","Huang, Shan-Lin; He, Liang; Chen, Er-Xia; Lai, Heng-Dong; Zhang, Jian; Lin, Qipu","A wide pH-range stable crystalline framework based on the largest tin-oxysulfide cluster [Sn<sub>20</sub>O<sub>10</sub>S<sub>34</sub>].","Chemical communications (Cambridge, England)","2019","55","74","11083","11086","10.1039/c9cc05736f","","","1.54178","CuKα","","0.0539","0.041","","","0.1077","0.1173","","","","","","1.012","","","","has coordinates","246589","2020-10-21","18:00:00",""
"7125737","50.346","0.015","16.533","0.005","29.033","0.008","90","","112.241","0.009","90","","22368","11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H104 N4 S4 -","- C112 H104 N4 S4 -","- C896 H832 N32 S32 -","8","1","","Ambhore, Madan D.; Basavarajappa, Ashokkumar; Anand, Venkataramanarao G.","A wide-range of redox states of core-modified expanded porphyrinoids.","Chemical communications (Cambridge, England)","2019","55","47","6763","6766","10.1039/c9cc02326g","","","0.71073","MoKα","","0.1091","0.0692","","","0.1853","0.2017","","","","","","1.105","","","","has coordinates","246590","2020-10-21","18:00:00",""
"7125738","10.1189","0.001","20.238","0.002","22.11","0.003","64.047","0.003","88.647","0.003","82.635","0.003","4034.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H59 B20 I18 K N5 O7.5 -","- C18 H58.9992 B20 I18 K N5 O7.5 -","- C36 H117.998 B40 I36 K2 N10 O15 -","2","1","","El Anwar, Suzan; Assaf, Khaleel I.; Begaj, Barbara; Samsonov, Maksim A.; RůŽičková, Zdeňka; Holub, Josef; Bavol, Dmytro; Nau, Werner M.; Gabel, Detlef; Grűner, Bohumír","Versatile, one-pot introduction of nonahalogenated 2-ammonio-decaborate ions as boron cluster scaffolds into organic molecules; host-guest complexation with γ-cyclodextrin.","Chemical communications (Cambridge, England)","2019","55","91","13669","13672","10.1039/c9cc07678f","","","0.71073","MoKα","","0.0607","0.0425","","","0.0973","0.1041","","","","","","1.028","","","","has coordinates,has disorder","246591","2020-10-21","18:00:00",""
"7125739","20.9188","0.0007","11.2773","0.0004","8.3717","0.0003","90","","98.639","0.003","90","","1952.54","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Liu, Gengxin; Yu, Sifan; Hu, Wenhao; Qiu, Huang","A gold(i)-catalysed three-component reaction via trapping oxonium ylides with allenamides.","Chemical communications (Cambridge, England)","2019","55","84","12675","12678","10.1039/c9cc06599g","","x-ray","1.54184","CuKα","","0.0472","0.0398","","","0.1031","0.1087","","","","","","1.032","","","","has coordinates","246592","2020-10-21","18:00:00",""
"7125740","13.82","0.0007","11.3092","0.0004","16.8646","0.0008","90","","104.92","0.004","90","","2547","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N4 -","- C13 H15 Cl N4 -","- C104 H120 Cl8 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0894","0.0575","","","0.1383","0.1759","","","","","","1.093","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125741","12.1903","0.0007","13.3007","0.0008","8.4206","0.0005","90","","102.568","0.005","90","","1332.6","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1087","0.1028","","","0.2527","0.2665","","","","","","1.18","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125742","5.744","0.0004","14.7496","0.0013","12.563","0.0008","90","","99.892","0.005","90","","1048.54","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0438","0.0344","","","0.088","0.0919","","","","","","1.033","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125743","10.9377","0.0004","16.6444","0.0007","16.3724","0.0006","90","","92.771","0.003","90","","2977.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 B N4 -","- C38 H37 B N4 -","- C152 H148 B4 N16 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0397","0.0335","","","0.0782","0.0817","","","","","","1.02","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125744","17.423","0.002","11.8598","0.001","6.6646","0.0005","90","","90","","90","","1377.1","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C56 H64 N16 S4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1375","0.1166","","","0.2577","0.272","","","","","","1.11","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125745","7.116","0.0005","7.0723","0.0004","14.8576","0.001","77.256","0.005","77.551","0.005","63.341","0.005","645.92","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 Se -","- C13 H14 N4 Se -","- C26 H28 N8 Se2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0338","0.0293","","","0.0723","0.0753","","","","","","1.038","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125746","10.2454","0.0012","17.3799","0.0019","14.473","0.002","90","","98.817","0.011","90","","2546.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 -","- C14 H16 N4 -","- C112 H128 N32 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.079","0.0472","","","0.1079","0.1264","","","","","","1.017","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125747","23.5797","0.0004","35.6568","0.0009","29.9355","0.0007","90","","90","","90","","25169.1","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H62 Cl2 N8 P2 Ru -","- C64 H62 Cl2 N8 P2 Ru -","- C1024 H992 Cl32 N128 P32 Ru16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1465","0.0792","","","0.1568","0.2021","","","","","","1.103","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125748","6.9905","0.0008","7.0369","0.0008","14.519","0.0014","78.264","0.008","78.151","0.008","64.286","0.008","624.46","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 S -","- C13 H14 N4 S -","- C26 H28 N8 S2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0556","0.0411","","","0.1013","0.107","","","","","","1.067","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125749","7.8616","0.0006","12.1269","0.0007","11.1928","0.0009","90","","97.003","0.006","90","","1059.13","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0892","0.0712","","","0.1816","0.2056","","","","","","1.064","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125750","6.4586","0.0005","24.9625","0.0012","17.2461","0.0007","90","","90","","90","","2780.5","0.3","100","2","100","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C14 H17 Cl N4 -","- C14 H16.5 Cl N4 -","- C112 H132 Cl8 N32 -","8","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0918","0.0512","","","0.1056","0.1231","","","","","","1.058","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125751","6.8554","0.0003","13.1808","0.0009","15.3404","0.0007","90","","96.866","0.003","90","","1376.21","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N4 Se -","- C14 H16 N4 Se -","- C56 H64 N16 Se4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0544","0.0395","","","0.0914","0.1011","","","","","","1.061","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125752","8.303","0.0006","12.2487","0.0009","13.1031","0.0012","90","","98.019","0.007","90","","1319.57","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 Ni -","- C16 H14 N4 Ni -","- C64 H56 N16 Ni4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0531","0.0381","","","0.0994","0.1074","","","","","","1.054","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125753","9.5141","0.0005","22.5212","0.0009","12.1912","0.0007","90","","98.997","0.004","90","","2580.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H45 Cl8 N5 P2 Ru -","- C51 H45 Cl8 N5 P2 Ru -","- C102 H90 Cl16 N10 P4 Ru2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0644","0.0499","","","0.1162","0.1238","","","","","","1.05","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125754","9.5555","0.0002","24.2364","0.0007","21.3888","0.0006","90","","90","","90","","4953.5","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H20 N4 Ni -","- C19 H20 N4 Ni -","- C228 H240 N48 Ni12 -","12","1.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0473","0.0403","","","0.1147","0.1201","","","","","","1.123","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125755","14.1205","0.0004","15.7166","0.0006","22.8944","0.0006","90","","98.417","0.002","90","","5026.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Cl2 N5 P2 Ru -","- C57 H53 Cl2 N5 P2 Ru -","- C228 H212 Cl8 N20 P8 Ru4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1139","0.0872","","","0.2217","0.2553","","","","","","1.14","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125756","15.4397","0.0004","13.018","0.0002","15.7193","0.0004","90","","100.06","0.002","90","","3110.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 Ni -","- C18 H18 N4 Ni -","- C144 H144 N32 Ni8 -","8","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0379","0.0281","","","0.0604","0.0653","","","","","","1.049","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125757","11.3628","0.0004","21.1456","0.0007","12.1342","0.0005","90","","109.851","0.003","90","","2742.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl3 N4 Ni Rh -","- C27 H32 Cl3 N4 Ni Rh -","- C108 H128 Cl12 N16 Ni4 Rh4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1178","0.0935","","","0.2381","0.2686","","","","","","1.043","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125758","7.1632","0.0007","13.0691","0.0012","13.5288","0.0014","117.501","0.007","95.03","0.008","100.47","0.008","1083.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl N4 Ni Rh -","- C24 H26 Cl N4 Ni Rh -","- C48 H52 Cl2 N8 Ni2 Rh2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0914","0.0779","","","0.202","0.2236","","","","","","1.021","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125759","8.8137","0.0006","9.8816","0.0007","10.4045","0.0007","116.637","0.005","102.468","0.006","93.764","0.006","777.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br Cu N4 Ni -","- C16 H14 Br Cu N4 Ni -","- C32 H28 Br2 Cu2 N8 Ni2 -","2","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","","0.71073","MoKα","","0.0339","0.0229","","","0.0484","0.0514","","","","","","0.967","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125760","34.3321","0.0004","34.3321","0.0004","10.309","0.0001","90","","90","","90","","12151.1","0.2","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C27 H32 Cl N4 Ni Rh -","- C27 H32 Cl N4 Ni Rh -","- C432 H512 Cl16 N64 Ni16 Rh16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.0528","0.0375","","","0.083","0.0916","","","","","","1.031","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125761","13.0554","0.0007","13.51","0.0005","23.7059","0.0011","90","","101.001","0.004","90","","4104.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C39 H42 Cl2 I2 N8 Ni2 Zn -","- C156 H168 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0997","0.0603","","","0.1435","0.1656","","","","","","1.067","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125762","20.5758","0.0007","17.6627","0.0008","11.0017","0.0004","90","","90","","90","","3998.3","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C37 H38 Cl2 I2 N8 Ni2 Zn -","- C148 H152 Cl8 I8 N32 Ni8 Zn4 -","4","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1029","0.0883","","","0.2313","0.2592","","","","","","1.141","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125763","9.5888","0.0012","20.771","0.002","9.4041","0.0012","90","","112.364","0.009","90","","1732.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 Cu2 N8 Ni2 -","- C36 H36 Br2 Cu2 N8 Ni2 -","- C72 H72 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","1.54186","CuKα","","0.1311","0.1025","","","0.2746","0.3287","","","","","","1.091","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125764","17.7226","0.0007","16.5686","0.0005","21.4449","0.0007","90","","90","","90","","6297.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 I2 N8 Ni2 Zn -","- C32 H28 I2 N8 Ni2 Zn -","- C256 H224 I16 N64 Ni16 Zn8 -","8","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0736","0.0497","","","0.118","0.1328","","","","","","1.135","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125765","9.6279","0.0005","21.6105","0.0013","9.4506","0.0005","90","","112.988","0.004","90","","1810.17","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cu2 N8 Ni2 -","- C38 H40 Br2 Cu2 N8 Ni2 -","- C76 H80 Br4 Cu4 N16 Ni4 -","2","0.5","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0737","0.0586","","","0.1508","0.1729","","","","","","1.017","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125766","9.9754","0.0007","14.0802","0.0015","10.6923","0.0009","90","","91.036","0.006","90","","1501.5","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11.333 H10 Cl0.667 N1.333 O0.667 -","- C11.3333 H10 Cl0.666667 N1.33333 O0.666667 -","- C68 H60 Cl4 N8 O4 -","6","1.5","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0706","0.0505","","","0.1325","0.1485","","","","","","0.9498","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125767","5.9361","0.0007","26.091","0.003","10.7999","0.0011","90","","98.444","0.011","90","","1654.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.0883","0.0591","","","0.1374","0.1542","","","","","","1.0831","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125768","8.2526","0.0009","9.1103","0.001","21.0646","0.0018","90","","90","","90","","1583.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 -","- C18 H19 Cl N2 -","- C72 H76 Cl4 N8 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.0919","0.1062","","","","","","1.01","","","","has coordinates","246594","2020-10-21","18:00:00",""