# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-14T04:14:38+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2022 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1564427","19.525","0.01","9.546","0.006","20.594","0.013","90","","114.38","0.02","90","","3496","4","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 N2 -","- C50 H34 N2 -","- C200 H136 N8 -","4","1","","Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong","Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes.","Materials horizons","2022","9","1","376","382","10.1039/d1mh01129d","","","0.71073","MoKα","","0.0593","0.0438","","","0.097","0.1066","","","","","","1.066","","","","has coordinates","272793","2022-02-04","20:05:58",""
"1564683","8.321","0.003","9.678","0.004","9.879","0.004","94.541","0.006","96.864","0.006","94.634","0.006","784.1","0.5","293.15","","293.15","","","","","","","","","2","P -1","-P 1","2","","TPM","","- C21 H18 -","- C21 H18 -","- C42 H36 -","2","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.081","0.0584","","","0.1754","0.1992","","","","","","1.044","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564684","8.773","0.004","9.273","0.005","20.333","0.01","90","","90.317","0.008","90","","1654.1","1.4","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TPMBr","","- C21 H17 Br -","- C21 H17 Br -","- C84 H68 Br4 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.0826","0.05","","","0.1061","0.1182","","","","","","1.045","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564685","31.9","0.03","8.761","0.009","5.796","0.006","90","","90","","90","","1620","3","296","2","296.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H15 F3 -","- C21 H15 F3 -","- C84 H60 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.0769","0.0636","","","0.1387","0.1444","","","","","","1.133","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564686","13.672","0.005","7.976","0.003","16.909","0.006","90","","99.786","0.006","90","","1817.1","1.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Br F3 -","- C21 H14 Br F3 -","- C84 H56 Br4 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.168","0.0743","","","0.1737","0.2098","","","","","","1.029","","","","has coordinates,has disorder","272792","2022-02-04","20:05:49",""
"1564687","12.88","0.009","8.745","0.006","18.874","0.01","90","","121.39","0.03","90","","1815","2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br2 -","- C21 H16 Br2 -","- C84 H64 Br8 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.2159","0.1325","","","0.2379","0.2764","","","","","","1.048","","","","has coordinates","272792","2022-02-04","20:05:49",""
"1564688","16.448","0.005","6.0973","0.0019","19.528","0.006","90","","105.073","0.005","90","","1891.1","1","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Br2 F3 -","- C21 H13 Br2 F3 -","- C84 H52 Br8 F12 -","4","1","","Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen","Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.","Materials horizons","2022","9","1","368","375","10.1039/d1mh01207j","","","0.71073","MoKα","","0.1429","0.0685","","","0.1851","0.2271","","","","","","1.031","","","","has coordinates,has disorder","272792","2022-02-04","20:05:49",""
"1564845","26.5046","0.001","23.0448","0.0011","31.2654","0.0018","90","","107.646","0.005","90","","18198.1","1.6","99.97","0.12","99.97","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Cl2 F2 N8 O2 S5 -","- C90 H102 Cl2 F2 N8 O2 S5 -","- C720 H816 Cl16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.214","0.1481","","","0.3777","0.4448","","","","","","1.022","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564846","26.7059","0.0007","23.0515","0.0007","31.3331","0.0011","90","","107.898","0.003","90","","18355.5","1","169.99","0.12","169.99","0.12","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Br2 F2 N8 O2 S5 -","- C90 H102 Br2 F2 N8 O2 S5 -","- C720 H816 Br16 F16 N64 O16 S40 -","8","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1987","0.1623","","","0.4128","0.4474","","","","","","1.063","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564847","16.0896","0.0006","17.7032","0.0004","17.9514","0.0005","107.551","0.002","114.327","0.003","90.288","0.002","4392.9","0.3","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C90 H102 Br2 Cl2 N8 O2 S5 -","- C180 H204 Br4 Cl4 N16 O4 S10 -","2","1","","Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang","Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency","Energy & Environmental Science","2022","15","1","320","333","10.1039/D1EE01832A","","x-ray","1.54184","CuKα","","0.1553","0.1141","","","0.2918","0.3188","","","","","","0.89","","","","has coordinates,has disorder","272701","2022-02-04","19:50:41",""
"1564950","19.3571","0.0011","9.1791","0.0005","20.0178","0.0012","90","","93.921","0.002","90","","3548.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuI(14-S~4~)]OTf","","","- C11 H20 Cu F3 O3 S5 -","- C11 H20 Cu F3 O3 S5 -","- C88 H160 Cu8 F24 O24 S40 -","8","2","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.039","0.0276","","","0.0576","0.0613","","","","","","1.032","","","","has coordinates","275781","2022-06-06","01:45:18",""
"1564951","9.4758","0.0015","10.1782","0.0017","15.084","0.003","90","","99.132","0.01","90","","1436.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CuII(14-S~4~)]OTf2","","","- C14 H24 Cl4 Cu F6 O6 S6 -","- C14 H24 Cl4 Cu F6 O6 S6 -","- C28 H48 Cl8 Cu2 F12 O12 S12 -","2","0.5","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0638","0.0395","","","0.0807","0.0911","","","","","","1.039","","","","has coordinates,has disorder","275781","2022-06-06","01:45:22",""
"1564952","21.553","0.004","8.7583","0.0018","9.884","0.002","90","","98.733","0.012","90","","1844.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[CoII(14-S~4~)(MeCN)(Cl2)]}n","","","- C12 H23 Cl2 Co N S4 -","- C12 H23 Cl2 Co N S4 -","- C48 H92 Cl8 Co4 N4 S16 -","4","0.5","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0533","0.0327","","","0.0664","0.0736","","","","","","1.014","","","","has coordinates","275781","2022-06-06","01:45:25",""
"1564953","8.9013","0.0013","10.1583","0.0015","12.8933","0.0018","71.697","0.005","70.925","0.005","67.975","0.005","996.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","{[CuI(14-S~4~)(MeCN)PF6]}n","","","- C12 H23 Cu F6 N P S4 -","- C12 H23 Cu F6 N P S4 -","- C24 H46 Cu2 F12 N2 P2 S8 -","2","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.033","0.0266","","","0.0625","0.0654","","","","","","1.063","","","","has coordinates,has disorder","275781","2022-06-06","01:45:28",""
"1564954","9.7818","0.0008","17.6403","0.0013","8.0039","0.0006","90","","91.436","0.003","90","","1380.67","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CoII(14-S~4~)(OTf)2]","","","- C16 H26 Co F6 N2 O6 S6 -","- C16 H26 Co F6 N2 O6 S6 -","- C32 H52 Co2 F12 N4 O12 S12 -","2","0.5","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0532","0.0334","","","0.0715","0.0788","","","","","","1.036","","","","has coordinates","275781","2022-06-06","01:45:31",""
"1564955","12.2236","0.0006","12.9921","0.0006","14.746","0.0007","74.5207","0.0016","87.2647","0.0016","66.8668","0.0015","2071.09","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[FeII(14-S~4~)(MeCN)2](BArF4)2","","","- C78 H50 B2 F48 Fe N2 S4 -","- C78 H50 B2 F48 Fe N2 S4 -","- C78 H50 B2 F48 Fe N2 S4 -","1","0.5","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0411","0.0342","","","0.0811","0.0852","","","","","","1.034","","","","has coordinates,has disorder","275781","2022-06-06","01:45:35",""
"1564956","8.7939","0.0006","14.9481","0.0011","13.6317","0.001","90","","102.586","0.004","90","","1748.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CuI(14-N~2~S~2~)]OTf","","","- C11 H22 Cu F3 N2 O3 S3 -","- C11 H22 Cu F3 N2 O3 S3 -","- C44 H88 Cu4 F12 N8 O12 S12 -","4","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0462","0.0345","","","0.0801","0.0858","","","","","","1.035","","","","has coordinates","275781","2022-06-06","01:45:45",""
"1564957","24.959","0.003","9.584","0.0012","20.849","0.004","90","","126.366","0.003","90","","4015.9","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[CuI(14-S~4~)]PF6","","","- C11 H22 Cl2 Cu F6 P S4 -","- C11 H22 Cl2 Cu F6 P S4 -","- C88 H176 Cl16 Cu8 F48 P8 S32 -","8","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0927","0.0794","","","0.2029","0.2129","","","","","","1.048","","","","has coordinates,has disorder","275781","2022-06-06","01:45:46",""
"1564958","13.5519","0.0008","19.3693","0.001","22.7518","0.0013","90","","90","","90","","5972.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeII(14-S~4~)(MeCN)2]FeI4","","","- C16 H29 Fe2 I4 N3 S4 -","- C16 H29 Fe2 I4 N3 S4 -","- C128 H232 Fe16 I32 N24 S32 -","8","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0381","0.0259","","","0.0507","0.0541","","","","","","1.066","","","","has coordinates","275781","2022-06-06","01:45:46",""
"1564959","17.8349","0.0013","19.1835","0.0012","15.1569","0.0011","90","","101.373","0.002","90","","5083.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[FeII(14-S~4~)(MeCN)2][(FeI3)2(14-S~4~)]","","","- C28 H52 Fe3 I6 N4 S8 -","- C28 H52 Fe3 I6 N4 S8 -","- C112 H208 Fe12 I24 N16 S32 -","4","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0581","0.0395","","","0.0867","0.0951","","","","","","1.015","","","","has coordinates,has disorder","275781","2022-06-06","01:45:46",""
"1564960","10.7164","0.0011","10.7164","0.0011","47.139","0.007","90","","90","","120","","4688.2","1","100","2","100","2","","","","","","","","5","P 61","P 61","169","[CuI(14-S~4~)]BPh4","","","- C34 H40 B Cu S4 -","- C33.99 H39.98 B Cu S3.996 -","- C203.94 H239.88 B6 Cu6 S23.976 -","6","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0507","0.04","","","0.0994","0.1076","","","","","","1.037","","","","has coordinates,has disorder","275781","2022-06-06","01:45:46",""
"1565020","11.7514","0.0012","17.3977","0.0017","19.925","0.002","102.675","0.006","98.649","0.006","99.031","0.005","3852.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C83 H89 F4 N9 O3 S2 Se2 -","- C83 H89 F4 N9 O3 S2 Se2 -","- C166 H178 F8 N18 O6 S4 Se4 -","2","1","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.1415","0.0774","","","0.2064","0.2464","","","","","","1.053","","","","has coordinates,has disorder","272791","2022-02-04","20:05:37",""
"1565021","18.8244","0.0012","29.3244","0.0018","31.439","0.002","90","","95.951","0.003","90","","17261.2","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H99 F4 N9 O3 S2 Se2 -","- C88 H99 F4 N9 O3 S2 Se2 -","- C704 H792 F32 N72 O24 S16 Se16 -","8","1","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.1362","0.0702","","","0.1925","0.2391","","","","","","1.03","","","","has coordinates,has disorder","272791","2022-02-04","20:05:38",""
"1565022","13.938","0.001","52.166","0.002","31.942","0.001","90","","99.927","0.003","90","","22877","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H85 F4 N9 O2 S2 Se2 -","- C81 H85 F4 N9 O2 S2 Se2 -","- C972 H1020 F48 N108 O24 S24 Se24 -","12","3","","Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y.","Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors.","Materials horizons","2022","9","1","403","410","10.1039/d1mh01127h","","x-ray","0.71073","MoKα","","0.3045","0.1209","","","0.2666","0.3277","","","","","","1.077","","","","has coordinates","272791","2022-02-04","20:05:38",""
"1565122","6.0023","0.0002","8.1084","0.0002","24.3715","0.0005","98.319","0.002","94.455","0.002","92.83","0.002","1167.9","0.05","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","x-ray","1.54184","CuKα","","0.0722","0.0598","","","0.1628","0.1748","","","","","","1.043","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565123","6.0173","0.0001","8.1041","0.0002","24.3262","0.0005","98.542","0.002","94.452","0.002","92.932","0.002","1167.2","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C30 H28 S2 -","- C30 H28 S2 -","- C60 H56 S4 -","2","2","","Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo","Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.","Materials horizons","2022","9","1","444","451","10.1039/d1mh01119g","","","1.54184","CuKα","","0.065","0.0622","","","0.1662","0.1684","","","","","","1.09","","","","has coordinates","272790","2022-02-04","20:05:15",""
"1565133","8.0718","0.0009","26.641","0.003","36.191","0.004","90","","95.657","0.004","90","","7744.6","1.5","110.17","","110.17","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FeTEsP","","- C88 H76 Cl2 Fe2 N12 O13 -","- C88 H72 Fe2 N8 O17 -","- C352 H288 Fe8 N32 O68 -","4","1","","Amanullah, Sk; Saha, Paramita; Dey, Abhishek","O<sub>2</sub> reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale.","Faraday discussions","2022","234","0","143","158","10.1039/d1fd00076d","","","0.71073","MoKα","","0.1025","0.068","","","0.1423","0.1574","","","","","","1.081","","","","has coordinates","275780","2022-06-06","01:44:52",""
"1565172","7.918","0.0002","17.8","0.0005","14.7128","0.0005","90","","95.2089","0.0014","90","","2065.06","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Br N4 O2 Ru -","- C20 H23 Br N4 O2 Ru -","- C80 H92 Br4 N16 O8 Ru4 -","4","1","","Illam, Praseetha Mathoor; Rit, Arnab","Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy","Catalysis Science & Technology","2022","12","1","67","74","10.1039/D1CY01767E","","","0.71073","MoKα","","0.0407","0.028","","","0.0561","0.06","","","","","","1.055","","","","has coordinates","272554","2022-02-04","19:03:09",""
"1565173","5.446","0.0006","5.7605","0.0008","4.9406","0.0006","90","","90","","90","","154.99","0.03","296","2","296","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0512","0.0458","","","0.1094","0.1114","","","","","","1.268","","","","has coordinates","272555","2022-02-04","19:03:18",""
"1565174","17.5321","0.0014","17.5321","0.0014","10.9885","0.001","90","","90","","120","","2925.1","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H25 Co N2 O6 -","- C19 H25 Co N2 O6 -","- C114 H150 Co6 N12 O36 -","6","1","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0903","0.0512","","","0.0983","0.1081","","","","","","1.028","","","","has coordinates,has disorder","272555","2022-02-04","19:03:18",""
"1565226","7.72","0.0002","7.7534","0.0002","9.0532","0.0002","90","","94.725","0.002","90","","540.05","0.02","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0597","0.0594","","","0.1443","0.145","","","","","","1.097","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565227","7.7253","0.0005","7.7557","0.0004","9.0549","0.0005","90","","94.727","0.005","90","","540.68","0.05","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0453","0.0355","","","0.092","0.0962","","","","","","1.054","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565228","7.748","0.0001","7.6312","0.0001","8.9986","0.0001","90","","95.11","0.001","90","","529.941","0.011","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.0296","0.0295","","","0.0809","0.081","","","","","","1.029","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565229","7.699","0.0001","7.6119","0.0001","8.9599","0.0001","90","","94.873","0.001","90","","523.188","0.011","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Rac-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","0.5","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","1.54178","CuKα","","0.035","0.0348","","","0.087","0.0871","","","","","","1.116","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565230","7.7527","0.0003","7.6368","0.0003","8.9989","0.0004","90","","95.097","0.004","90","","530.68","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-CSAI","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","","Li, Peng-Fei; Ai, Yong; Zeng, Yu-Ling; Liu, Jun-Chao; Xu, Zhe-Kun; Wang, Zhong-Xia","Highest-Tc single-component homochiral organic ferroelectrics","Chemical Science","2022","13","3","657","664","10.1039/D1SC04322F","","","0.71073","MoKα","","0.0287","0.0268","","","0.0725","0.0734","","","","","","1.059","","","","has coordinates","272590","2022-02-04","19:14:29",""
"1565386","12.661","0.003","12.337","0.002","5.0928","0.0011","90","","90","","90","","795.5","0.3","655","2","655","2","","","","","","","","2","C m m a","-C 2a 2","67","","","","- Al2.69 B50 -","- Al2.686 B50 -","- Al5.372 B100 -","2","0.125","","Zheng, Xu; Yan, Dayu; Yi, Changjiang; Zhu, Jinlong; Zhang, Qinghua; Zhai, Junyi; Ma, Teng; Zhu, Pinwen; Li, Hui; Gu, Lin; Zhao, Yusheng; Yao, Yugui; Shi, Youguo; Yu, Xiaohui; Jin, Changqing","The discovery of a superhard P-type transparent semiconductor: Al<sub>2.69</sub>B<sub>50</sub>.","Materials horizons","2022","9","2","748","755","10.1039/d1mh00975c","","","0.71073","MoKα","","0.0667","0.0555","","","0.1538","0.1633","","","","","","1.028","","","","has coordinates,has disorder","273437","2022-03-04","22:27:56",""
"1565433","8.1464","0.0003","11.8837","0.0004","25.5753","0.0009","83.931","0.001","83.143","0.001","86.209","0.001","2440.85","0.15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H41 Cl9 N6 -","- C48 H41 Cl9 N6 -","- C96 H82 Cl18 N12 -","2","1","","He, Jian-Li; Tang, Yukun; Zhang, Kai; Zhao, Yue; Lin, Yu-Ching; Hsu, Chih-Kai; Chen, Chia-Hsun; Chiu, Tien-Lung; Lee, Jiun-Haw; Wang, Chuan-Kui; Wu, Chung-Chih; Fan, Jian","An extended π-backbone for highly efficient near-infrared thermally activated delayed fluorescence with enhanced horizontal molecular orientation.","Materials horizons","2022","9","2","772","779","10.1039/d1mh01651b","","","0.71073","MoKα","","0.1306","0.0813","","","0.2098","0.2512","","","","","","1.041","","","","has coordinates,has disorder","273436","2022-03-04","22:27:43",""
"1565488","10.0784","0.0003","11.7543","0.0003","30.5885","0.0007","90","","90","","90","","3623.65","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 N2 O P2 -","- C43 H44 N2 O P2 -","- C172 H176 N8 O4 P8 -","4","1","","Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.","Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis","Catalysis Science & Technology","2022","12","5","1392","1399","10.1039/D1CY02017J","","","1.54178","CuKα","","0.0247","0.0246","","","0.0645","0.0646","","","","","","1.058","","","","has coordinates","274938","2022-05-05","20:17:57",""
"1565568","11.6074","0.0009","8.5215","0.0007","15.0981","0.0012","90","","90","","90","","1493.4","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F4 I3 K3 O12 V2 -","- F4 I3 K3 O12 V2 -","- F16 I12 K12 O48 V8 -","4","0.5","","Chen, Jin; Hu, Chun-Li; Lin, Yi-Lin; Chen, Yan; Chen, Qian-Qian; Mao, Jiang-Gao","K3V2O3F4(IO3)3: a high-performance SHG crystal containing both five and six-coordinated V5+ cations","Chemical Science","2022","13","2","454","460","10.1039/D1SC06026K","","","0.71073","MoKα","","0.0286","0.0272","","","0.0655","0.0664","","","","","","1.022","","","","has coordinates","272584","2022-02-04","19:13:32",""
"1565590","11.04668","0.00008","5.51936","0.00005","14.34857","0.0001","90","","101.385","0.0007","90","","857.627","0.012","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H15 Br Cl F2 N O2 -","- C18 H15 Br Cl F2 N O2 -","- C36 H30 Br2 Cl2 F4 N2 O4 -","2","1","","Xu, Xiao; Bao, Longzhu; Ran, Lu; Yang, Zhenyan; Yan, Dingce; Wang, Chun-Jiang; Teng, Huailong","Synthesis of bioactive fluoropyrrolidines via copper(i)-catalysed asymmetric 1,3-dipolar cycloaddition of azomethine ylides","Chemical Science","2022","13","5","1398","1407","10.1039/D1SC04595D","","x-ray","1.54184","CuKα","","0.0176","0.0176","","","0.0465","0.0466","","","","","","1.047","","","","has coordinates","272574","2022-02-04","19:11:21",""
"1565601","11.3563","0.0005","16.7472","0.0006","12.6545","0.0006","90","","101.483","0.004","90","","2358.54","0.18","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C108 H116 N12 O16 -","4","1","","Kuhn, Ariel J.; Ehlke, Beatriz; Johnstone, Timothy C.; Oliver, Scott R. J.; Raskatov, Jevgenij A.","A crystal-structural study of Pauling–Corey rippled sheets","Chemical Science","2022","13","3","671","680","10.1039/D1SC05731F","","x-ray","1.54184","CuKα","","0.0554","0.0443","","","0.1122","0.1181","","","","","","1.036","","","","has coordinates","272588","2022-02-04","19:14:09",""
"1565602","14.2639","0.0006","14.5005","0.0004","20.4969","0.0007","105.307","0.003","109.588","0.004","90.479","0.003","3830.5","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C40 H52 O2 S2 Si2 -","- C40 H52 O2 S2 Si2 -","- C160 H208 O8 S8 Si8 -","4","2","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0468","0.0408","","","0.109","0.1148","","","","","","1.048","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565603","39.5034","0.0004","9.2352","0.0001","23.1512","0.0003","90","","96.916","0.001","90","","8384.61","0.17","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5''''-bis((triisopropylsilyl)ethynyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene","","- C42 H52 S5 Si2 -","- C42 H52 S5 Si2 -","- C336 H416 S40 Si16 -","8","1","","Gao, Yunpeng; Feng, Chi; Seo, Tamae; Kubota, Koji; Ito, Hajime","Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems","Chemical Science","2022","13","2","430","438","10.1039/D1SC05257H","","x-ray","1.54184","CuKα","","0.0372","0.0343","","","0.0965","0.0988","","","","","","1.075","","","","has coordinates","272586","2022-02-04","19:13:54",""
"1565604","8.8605","0.0001","21.1565","0.0004","7.8415","0.0001","90","","93.025","0.001","90","","1467.9","0.04","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","","1.54184","CuKα","","0.0413","0.0379","","","0.1027","0.1054","","","","","","1.059","","","","has coordinates","272585","2022-02-04","19:13:43",""
"1565605","7.9559","0.0001","6.808","0.0001","30.863","0.0002","90","","91.251","0.001","90","","1671.26","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C80 H64 Br4 N4 O8 -","4","1","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0646","0.0655","","","","","","1.125","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565606","9.4212","0.0001","10.7629","0.0001","18.7421","0.0002","94.939","0.001","96.779","0.001","110.576","0.001","1750.05","0.03","169.99","0.13","169.99","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F3 N O2 -","- C19 H16 F3 N O2 -","- C76 H64 F12 N4 O8 -","4","2","","Yuan, Da-Fu; Wang, Zi-Chen; Geng, Rui-Sen; Ren, Guang-Yi; Wright, James S.; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Hypervalent iodine promoted the synthesis of cycloheptatrienes and cyclopropanes","Chemical Science","2022","13","2","478","485","10.1039/D1SC05429E","","x-ray","1.54184","CuKα","","0.0446","0.0428","","","0.1063","0.1081","","","","","","1.055","","","","has coordinates","272585","2022-02-04","19:13:44",""
"1565640","8.1","0.002","8.269","0.002","9.997","0.003","90","","99.57","0.03","90","","660.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Cl N O4 -","- C3 H8 Cl N O4 -","- C12 H32 Cl4 N4 O16 -","4","1","","Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.","Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.","Nanoscale","2022","14","3","675","679","10.1039/d1nr04851a","","x-ray","0.71073","MoKα","","0.1148","0.0753","","","0.188","0.2248","","","","","","0.9533","","","","has coordinates","272706","2022-02-04","19:51:24",""
"1565641","4.9117","0.0004","8.1838","0.0006","8.056","0.0008","90","","99.683","0.009","90","","319.21","0.05","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H8 Cl N O4 -","- C3 H8 Cl N O4 -","- C6 H16 Cl2 N2 O8 -","2","1","","Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.","Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.","Nanoscale","2022","14","3","675","679","10.1039/d1nr04851a","","","0.71073","MoKα","","0.0804","0.0646","","","0.1734","0.1923","","","","","","1.134","","","","has coordinates,has disorder","272706","2022-02-04","19:51:25",""
"1565662","7.4686","0.0005","26.405","0.002","19.52","0.0011","90","","97.925","0.005","90","","3812.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B Ce O2 Si2 -","- C34 H68 B Ce O2 Si2 -","- C136 H272 B4 Ce4 O8 Si8 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0441","0.0346","","","0.0866","0.0898","","","","","","0.977","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565663","15.8956","0.0003","24.908","0.0005","8.4943","0.0007","90","","90","","90","","3363.1","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H60 B Er O Si2 -","- C30 H60 B Er O Si2 -","- C120 H240 B4 Er4 O4 Si8 -","4","0.5","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0279","0.0232","","","0.0591","0.0599","","","","","","0.991","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565664","7.5051","0.0003","26.3267","0.0009","19.4417","0.0008","90","","98.004","0.003","90","","3804","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B O2 Si2 Sm -","- C34 H68 B O2 Si2 Sm -","- C136 H272 B4 O8 Si8 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0622","0.051","","","0.1335","0.138","","","","","","1.021","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565665","13.3164","0.0004","13.319","0.0003","16.7792","0.0006","90","","97.425","0.003","90","","2951.02","0.15","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Er Li O Pb Si4 -","- C58 H96 Er Li O Pb Si4 -","- C116 H192 Er2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0495","0.0358","","","0.0642","0.0677","","","","","","0.949","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565666","13.5678","0.0008","13.7727","0.0005","35.796","0.002","90","","93.725","0.005","90","","6674.9","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H104 Li O Pb Si4 Sm -","- C65 H104 Li O Pb Si4 Sm -","- C260 H416 Li4 O4 Pb4 Si16 Sm4 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0728","0.0746","","","","","","0.997","","","","has coordinates","272578","2022-02-04","19:12:27",""
"1565667","22.0069","0.0007","16.3287","0.0004","22.8084","0.0007","90","","113.88","0.002","90","","7494.4","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H126.8 Er Li O4 Pb Si4 -","- C70 H126.8 Er Li O4 Pb Si4 -","- C280 H507.2 Er4 Li4 O16 Pb4 Si16 -","4","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0636","0.0456","","","0.1128","0.1214","","","","","","1.014","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565668","13.4211","0.0002","13.6559","0.0002","16.7671","0.0003","90","","97.576","0.001","90","","3046.2","0.08","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H96 Ce Li O Pb Si4 -","- C58 H96 Ce Li O Pb Si4 -","- C116 H192 Ce2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","1.34143","GaKα","","0.0324","0.0307","","","0.0778","0.0795","","","","","","1.117","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565669","13.1318","0.001","13.3996","0.0016","24.0543","0.0014","90.114","0.007","99.276","0.005","109.783","0.008","3923.4","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H124 Er Li O8 Pb Si4 -","- C70 H120 Er Li O8 Pb Si4 -","- C140 H240 Er2 Li2 O16 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","x-ray","0.71073","MoKα","","0.0397","0.0269","","","0.0576","0.0608","","","","","","1.043","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565670","13.4752","0.0003","13.6204","0.0002","16.909","0.0004","90","","99.42","0.002","90","","3061.59","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H97 La Li O Pb Si4 -","- C58 H97 La Li O Pb Si4 -","- C116 H194 La2 Li2 O2 Pb2 Si8 -","2","1","","Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W.","Introduction of plumbole to f-element chemistry","Chemical Science","2022","13","4","945","954","10.1039/D1SC03805B","","","0.71073","MoKα","","0.0591","0.049","","","0.1169","0.1242","","","","","","1.035","","","","has coordinates,has disorder","272578","2022-02-04","19:12:27",""
"1565671","14.194","0.004","10.712","0.003","15.769","0.004","90","","102.51","0.004","90","","2340.7","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl2 Fe N3 O12 -","- C16 H25 Cl2 Fe N3 O12 -","- C64 H100 Cl8 Fe4 N12 O48 -","4","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0539","0.0359","","","0.0768","0.0864","","","","","","1.017","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565672","15.9079","0.0012","17.3412","0.0013","16.1343","0.0012","90","","90.724","0.001","90","","4450.5","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Cl4 Fe2 N6 O23 -","- C32 H46 Cl4 Fe2 N6 O23 -","- C128 H184 Cl16 Fe8 N24 O92 -","4","0.5","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.0325","0.0298","","","0.0796","0.0817","","","","","","1.082","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565673","14.289","0.004","8.933","0.002","28.022","0.007","90","","90","","90","","3576.8","1.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Mn N3 O2 -","- C16 H21 Cl2 Mn N3 O2 -","- C128 H168 Cl16 Mn8 N24 O16 -","8","2","","Lee, Yool; Oh, Chaeun; Kim, Jin; Park, Myong-Suk; Bae, Woo Kyun; Yoo, Kyung Hyun; Hong, Seungwoo","Bioinspired nonheme iron complex that triggers mitochondrial apoptotic signalling pathway specifically for colorectal cancer cells","Chemical Science","2022","13","3","737","747","10.1039/D1SC05094J","","","0.71073","MoKα","","0.045","0.0404","","","0.1025","0.1052","","","","","","1.097","","","","has coordinates","272589","2022-02-04","19:14:19",""
"1565716","3.8839","0.0015","15.124","0.005","21.523","0.009","90","","93.662","0.018","90","","1261.7","0.8","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(S)-1,3-Benzothiazol-2-yl-O-phenylthiocarbonate","","- C14 H9 N O2 S2 -","- C14 H9 N O2 S2 -","- C56 H36 N4 O8 S8 -","4","1","","Wang, Siqi; Chen, Wanli; Ling, Jun","PiPo: random copolymers of C- with N-substituted glycines","Polymer Chemistry","2022","13","3","383","387","10.1039/D1PY01456K","","","0.71073","MoKα","","0.0318","0.0274","","","0.0657","0.0686","","","","","","1.062","","","","has coordinates","272789","2022-02-04","20:04:53",""
"1565717","14.5406","0.0012","13.2405","0.0007","17.1497","0.0012","90","","108.962","0.008","90","","3122.6","0.4","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 P2 S2 -","- C36 H30 P2 S2 -","- C144 H120 P8 S8 -","4","1","YW5001","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.1177","0.0669","","","0.1122","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:56",""
"1565718","8.7782","0.0003","13.264","0.0005","15.3166","0.0004","87.778","0.003","88.384","0.003","75.173","0.003","1722.39","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 P2 S2 -","- C38 H28 F6 P2 S2 -","- C76 H56 F12 P4 S4 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0485","0.041","","","0.1049","0.1114","","","","","","1.042","","","","has coordinates,has Fobs","272819","2022-02-06","04:39:58",""
"1565719","11.5443","0.0003","11.6402","0.0003","13.0973","0.0003","113.227","0.002","110.729","0.002","92.865","0.002","1475.39","0.08","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 O3 P2 S4 U -","- C26 H26 O3 P2 S4 U -","- C52 H52 O6 P4 S8 U2 -","2","1","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0573","0.0598","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59",""
"1565720","16.5607","0.0006","8.1303","0.0003","59.7044","0.0013","90","","90","","90","","8038.8","0.5","173","0.1","173","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H28 F12 O4 P2 S4 U -","- C32 H28 F12 O4 P2 S4 U -","- C256 H224 F96 O32 P16 S32 U8 -","8","2","","Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang","Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory","Journal of Synchrotron Radiation","2022","29","1","11","20","10.1107/S160057752101198X","","x-ray","1.54184","CuKα","","0.0791","0.0672","","","0.1675","0.1779","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","272819","2022-02-06","04:39:59",""
"1565762","9.757","0.005","17.585","0.01","17.518","0.009","90","","90.187","0.008","90","","3006","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Al F28 O3 Si -","- C18 H15 Al F28 O3 Si -","- C72 H60 Al4 F112 O12 Si4 -","4","1","","Barthélemy, Antoine; Glootz, Kim; Scherer, Harald; Hanske, Annaleah; Krossing, Ingo","Ga±catalyzed hydrosilylation? About the surprising system Ga+/HSiR3/olefin, proof of oxidation with subvalent Ga+ and silylium catalysis with perfluoroalkoxyaluminate anions","Chemical Science","2022","13","2","439","453","10.1039/D1SC05331K","","x-ray","0.71073","MoKα","","0.0524","0.0366","","","0.0919","0.1017","","","","","","1.034","","","","has coordinates,has disorder","272587","2022-02-04","19:14:03",""
"1565763","8.4425","0.0004","10.2492","0.0003","19.6013","0.0008","90","","90","","90","","1696.08","0.12","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","","Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi","Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety","Polymer Chemistry","2022","13","2","267","274","10.1039/D1PY01230D","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0624","0.063","","","","","","1.072","","","","has coordinates","272788","2022-02-04","20:04:48",""
"1565790","15.07667","0.00012","18.20509","0.00011","36.5229","0.0003","90","","94.8279","0.0008","90","","9988.95","0.13","139.99","0.11","139.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 K Nd O6 Si4 -","- C80 H76 K Nd O6 Si4 -","- C320 H304 K4 Nd4 O24 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0435","0.0415","","","0.1228","0.1248","","","","","","1.024","","","","has coordinates,has disorder","272592","2022-02-04","19:15:40",""
"1565791","16.445","0.0004","23.0841","0.0007","21.7459","0.0006","90","","95.923","0.002","90","","8211.1","0.4","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 O7 Si4 Tb -","- C84 H84 O7 Si4 Tb -","- C336 H336 O28 Si16 Tb4 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0699","0.0426","","","0.0904","0.0988","","","","","","0.924","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565792","14.39059","0.00014","21.1314","0.0002","28.0674","0.0003","90","","91.3627","0.0009","90","","8532.69","0.15","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H78 N O5 P Pr Si4 -","- C92 H78 N O5 P Pr Si4 -","- C368 H312 N4 O20 P4 Pr4 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0494","0.0395","","","0.0942","0.0984","","","","","","1.048","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565793","16.5246","0.0006","23.1693","0.0009","21.7608","0.0008","90","","95.951","0.004","90","","8286.5","0.5","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Ce O7 Si4 -","- C84 H84 Ce O7 Si4 -","- C336 H336 Ce4 O28 Si16 -","4","0.5","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0887","0.0626","","","0.147","0.1656","","","","","","0.987","","","","has coordinates","272592","2022-02-04","19:15:41",""
"1565794","15.5527","0.0009","26.7995","0.0012","38.849","0.002","90","","90","","90","","16192.4","1.4","140","0.1","140","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C94 H92 Ce K O6 Si4 -","- C94 H92 Ce K O6 Si4 -","- C752 H736 Ce8 K8 O48 Si32 -","8","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.153","0.0679","","","0.1426","0.1858","","","","","","0.98","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565795","13.4724","0.0004","28.4527","0.0009","22.4563","0.0008","90","","100.959","0.003","90","","8451.1","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H84 Gd K O7 Si4 -","- C84 H84 Gd K O7 Si4 -","- C336 H336 Gd4 K4 O28 Si16 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.097","0.0531","","","0.1207","0.1413","","","","","","0.948","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565796","19.0352","0.0002","23.9418","0.0002","22.3713","0.0003","90","","92.2121","0.001","90","","10187.8","0.19","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C111 H99 K2 Nd O5 Si5 -","- C111 H99 K2 Nd O5 Si5 -","- C444 H396 K8 Nd4 O20 Si20 -","4","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.0624","0.0509","","","0.1262","0.1346","","","","","","1.052","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565814","31.1312","0.0004","31.1312","0.0004","15.5307","0.0003","90","","90","","120","","13035.1","0.3","173","2","173","","","","","","","","","6","P -3","-P 3","147","","","","- C77 H81.33 Cl4.17 Co2 N8 O1.67 -","- C77 H81.3332 Cl4.16667 Co2 N8 O1.66667 -","- C462 H487.999 Cl25 Co12 N48 O10 -","6","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0803","0.0605","","","0.1669","0.182","","","","","","1.028","","","","has coordinates","272591","2022-02-04","19:14:56",""
"1565815","28.535","0.006","13.861","0.003","20.682","0.004","90","","101.36","0.03","90","","8020","3","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H92 Cl8 N8 O3 Zn2 -","- C81 H92 Cl8 N8 O3 Zn2 -","- C324 H368 Cl32 N32 O12 Zn8 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","0.71073","MoKα","","0.105","0.0931","","","0.2829","0.3013","","","","","","1.081","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565816","28.3373","0.0006","14.5574","0.0003","20.3283","0.0005","90","","100.895","0.001","90","","8234.6","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Cl4 Co2 N8 -","- C77 H80 Cl4 Co2 N8 -","- C308 H320 Cl16 Co8 N32 -","4","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0717","0.0583","","","0.1701","0.181","","","","","","1.06","","","","has coordinates","272591","2022-02-04","19:14:57",""
"1565817","11.694","0.0004","20.7153","0.0006","27.718","0.0009","68.59","0.001","89.019","0.002","82.809","0.002","6199","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C152 H152 N16 Pd4 -","- C152 H152 N16 Pd4 -","- C304 H304 N32 Pd8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Su, Yonghuan; Lei, Chuanhu; Sessler, Jonathan L.","Kinetic trapping of a cobalt(ii) metallocage using a carbazole-containing expanded carbaporphyrinoid ligand","Chemical Science","2022","13","3","692","697","10.1039/D1SC06514A","","","1.54178","CuKα","","0.0578","0.0521","","","0.1414","0.1471","","","","","","1.043","","","","has coordinates,has disorder","272591","2022-02-04","19:14:57",""
"1565818","26.2135","0.0015","48.489","0.003","7.7284","0.0005","90","","90","","90","","9823.3","1","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H24 B F4 N -","- C16 H24 B F4 N -","- C384 H576 B24 F96 N24 -","24","3","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0622","0.058","","","0.1544","0.158","","","","","","1.036","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565819","6.0869","0.0003","17.6346","0.0009","17.8806","0.0009","90","","92.23","0.003","90","","1917.85","0.17","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","2","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0778","0.068","","","0.1896","0.207","","","","","","1.103","","","","has coordinates,has disorder","272583","2022-02-04","19:13:25",""
"1565820","9.1824","0.001","17.1893","0.0015","16.2826","0.0015","90","","99.542","0.004","90","","2534.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F6 O6 S4 -","- C24 H20 F6 O6 S4 -","- C96 H80 F24 O24 S16 -","4","1","","Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei","Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation","Chemical Science","2022","13","4","1003","1008","10.1039/D1SC06577G","","x-ray","1.54178","CuKα","","0.0373","0.0356","","","0.0933","0.0947","","","","","","1.047","","","","has coordinates","272583","2022-02-04","19:13:25",""
"1565821","14.3788","0.0008","7.5241","0.0005","35.493","0.002","90","","90","","90","","3839.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cis-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C184 H160 I8 N8 O16 -","8","1","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0403","0.0359","","","0.0715","0.0738","","","","","","1.155","","","","has coordinates,has disorder","272579","2022-02-04","19:12:40",""
"1565822","8.7754","0.0005","8.8984","0.0006","12.8772","0.0008","99.2233","0.0018","96.0361","0.0018","91.197","0.0017","986.31","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Trans-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C46 H40 I2 N2 O4 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0217","0.0194","","","0.0399","0.0408","","","","","","1.059","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565823","6.3151","0.0004","11.198","0.0007","17.7567","0.001","85.4422","0.0016","85.449","0.0017","86.8128","0.0017","1246.24","0.13","90","2","90","2","","","","","","","","4","P 1","P 1","1","","1-hydroxy-N-(4-((2R,3S)-2-methyl-2-phenyl-2,3-dihydrobenzofurna-3-yl)benzyl)-2-napthamide","","- C33 H27 N O3 -","- C33 H27 N O3 -","- C66 H54 N2 O6 -","2","2","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","1.54178","CuKα","","0.029","0.0289","","","0.0778","0.0778","","","","","","1.013","","","","has coordinates","272579","2022-02-04","19:12:41",""
"1565826","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.0224","0.0221","","","0.0595","0.0597","","","","","","1.1","","","","has coordinates","272820","2022-02-06","04:43:17",""
"1565827","9.91895","0.00002","9.91895","0.00002","9.91895","0.00002","90","","90","","90","","975.882","0.003","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.56087","AgKα","","0.019","0.018","","","","0.052","0.022","","","","","1.664","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565828","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.0234","0.022","","","0.0577","0.0585","","","","","","1.055","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565829","9.91977","0.00003","9.91977","0.00003","9.91977","0.00003","90","","90","","90","","976.124","0.005","297.2","0.6","297.2","0.6","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","x-ray","0.71073","MoKα","","0.02","0.018","","","","0.048","0.019","","","","","1.238","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565830","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.038","0.0333","","","0.0739","0.0756","","","","","","1.031","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565831","9.9045","0.00007","9.9045","0.00007","9.9045","0.00007","90","","90","","90","","971.623","0.012","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- K2 Mg2 O12 S3 -","- K2 Mg2 O12 S3 -","- K8 Mg8 O48 S12 -","4","0.333333","","Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof","Tracing electron density changes in langbeinite under pressure","IUCrJ","2022","9","1","146","162","10.1107/S2052252521012628","","","0.434","synchrotron","","0.035","0.028","","","","0.052","0.045","","","","","0.966","","","","has coordinates","272820","2022-02-06","04:43:18",""
"1565832","7.3775","0.0004","9.3783","0.0006","9.4318","0.0006","61.214","0.002","89.717","0.002","73.611","0.002","542","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Anthracene-DTTCNQ","","- C30 H14 N4 S2 -","- C30 H14 N4 S2 -","- C30 H14 N4 S2 -","1","0.5","","Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping","Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ.","Materials horizons","2022","9","3","1057","1067","10.1039/d1mh01767e","","","0.71073","MoKα","","0.1006","0.0687","","","0.1285","0.1415","","","","","","1.135","","","","has coordinates,has disorder","275077","2022-05-05","20:57:58",""
"1565833","6.29835","0.00009","10.64131","0.00014","7.53892","0.00011","90","","103.504","0.0014","90","","491.31","0.012","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","","1.54184","CuKα","","0.0217","0.0217","","","0.0586","0.0587","","","","","","1.097","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565834","6.3879","0.0002","10.8484","0.0003","7.6137","0.0003","90","","103.203","0.003","90","","513.67","0.03","373.01","0.11","373.01","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Ai, Yong; Li, Peng-Fei; Yang, Meng-Juan; Xu, Yu-Qiu; Li, Meng-Zhen; Xiong, Ren-Gen","An organic plastic ferroelectric with high Curie point","Chemical Science","2022","13","3","748","753","10.1039/D1SC06781H","","x-ray","1.54184","CuKα","","0.0584","0.0544","","","0.2882","0.2892","","","","","","1.416","","","","has coordinates","272593","2022-02-04","19:15:50",""
"1565835","17.1728","0.0006","17.1728","0.0006","17.1728","0.0006","90","","90","","90","","5064.3","0.3","119.5","0.8","119.5","0.8","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C10 H11 Fe N4 -","- C10 H11 Fe N4 -","- C120 H132 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0745","0.0538","","","0.1108","0.1187","","","","","","1.041","","","","has coordinates,has disorder","272597","2022-02-04","19:16:56",""
"1565836","17.317","0.0001","17.317","0.0001","17.317","0.0001","90","","90","","90","","5193","0.05","120","0.1","120","0.1","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C12 H14 Fe N4 -","- C12 H14.0004 Fe N4 -","- C144 H168.005 Fe12 N48 -","12","0.25","","López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo","Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis","Chemical Science","2022","13","3","842","847","10.1039/D1SC04779E","","x-ray","0.71073","MoKα","","0.0482","0.0317","","","0.0908","0.098","","","","","","1.008","","","","has coordinates,has disorder","272597","2022-02-04","19:16:58",""
"1565837","17.6742","0.0003","17.6742","0.0003","11.6231","0.0003","90","","90","","120","","3144.36","0.11","170","2","170","2","","","","","","","","3","P 61","P 61","169","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C150 H120 O24 -","6","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0429","0.0383","","","0.1018","0.1046","","","","","","1.089","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565838","6.5263","0.0001","13.9032","0.0003","21.5712","0.0004","90","","90","","90","","1957.29","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0303","0.0282","","","0.0732","0.0752","","","","","","1.127","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565839","10.8503","0.0003","8.8759","0.0002","19.9348","0.0005","90","","100.189","0.0012","90","","1889.57","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Nguyen, Nguyen Hoang; Oh, Soo Min; Park, Cheol-Min; Shin, Seunghoon","Ortho-Selective C-H Arylation of Phenols with N-Carboxyindoles under Brønsted Acid- or Cu(I)-Catalysis","Chemical Science","2022","","","","","10.1039/D1SC06157G","","","0.71073","MoKα","","0.0449","0.0408","","","0.1098","0.1135","","","","","","1.05","","","","has coordinates","271636","2021-12-27","23:07:31",""
"1565840","23.376","0.002","10.6352","0.0009","20.2506","0.0019","90","","106.848","0.004","90","","4818.4","0.7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","21011","","","- C22 H19 Cl5 N2 Zn -","- C22 H19 Cl5 N2 Zn -","- C176 H152 Cl40 N16 Zn8 -","8","2","","Frye, Connor W.; Egger, Dominic T.; Kounalis, Errikos; Pearce, Adam J.; Cheng, Yukun; Tonks, Ian A.","α-Diimine synthesis via titanium-mediated multicomponent diimination of alkynes with C-nitrosos","Chemical Science","2022","13","5","1469","1477","10.1039/D1SC06111A","","","0.71073","MoKα","","0.1196","0.0687","","","0.1758","0.2124","","","","","","1.053","","","","has coordinates,has disorder","272576","2022-02-04","19:11:43",""
"1565841","10.2028","0.0002","20.5606","0.0004","27.5955","0.0006","90","","94.989","0.001","90","","5766.9","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 Eu N7 O15 -","- C51 H46 Eu N7 O15 -","- C204 H184 Eu4 N28 O60 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0332","0.0262","","","0.0771","0.0812","","","","","","1.042","","","","has coordinates","273435","2022-03-04","22:27:09",""
"1565842","10.1478","0.0004","20.3871","0.0009","27.1677","0.0014","90","","95.103","0.002","90","","5598.3","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 Gd N7 O15 -","- C51 H46 Gd N7 O15 -","- C204 H184 Gd4 N28 O60 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0393","0.0285","","","0.0602","0.0646","","","","","","1.018","","","","has coordinates","273435","2022-03-04","22:27:12",""
"1565843","10.184","0.0002","20.5165","0.0005","27.539","0.0007","90","","95.052","0.001","90","","5731.6","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 N7 O15 Tb -","- C51 H46 N7 O15 Tb -","- C204 H184 N28 O60 Tb4 -","4","1","","Wang, Hui; Li, Xuan; Cheng, Hao; Li, Ya-Jun; Song, Xue-Qin; Wang, Li","Two luminescent film sensors constructed from new lanthanide coordination polymers for ratiometric detection of Zn2+ and NH3 in water and their white emission properties","Polymer Chemistry","2022","13","6","778","793","10.1039/D1PY01492G","","","0.71073","MoKα","","0.0565","0.0352","","","0.0806","0.09","","","","","","1.046","","","","has coordinates","273435","2022-03-04","22:27:12",""
"1565844","26.7306","0.0007","5.0492","0.0001","24.8887","0.0005","90","","117.317","0.003","90","","2984.57","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N4 O8 S2 -","- C28 H34 N4 O8 S2 -","- C112 H136 N16 O32 S8 -","4","0.5","","Mandigma, Mark John; Zurauskas, Jonas; MacGregor, Callum Ian; Edwards, Lee; Shahin, Ahmed; d'Heureuse, Ludwig; Yip, Philip; Birch, David J. S.; Gruber, Thomas; Heilmann, Jorg; John, Matthew P.; Barham, Joshua Philip","An Organophotocatalytic Late-stage N-CH3 Oxidation of Trialkylamines to N-formamides with O2 in Continuous Flow","Chemical Science","2022","","","","","10.1039/D1SC05840A","","x-ray","1.54184","CuKα","","0.0509","0.0448","","","0.1179","0.1216","","","","","","1.055","","","","has coordinates,has disorder","271642","2021-12-28","23:08:09",""
"1565845","14.33767","0.00006","14.33767","","21.39635","0.00014","90","","90","","120","","3809.14","0.03","","","","","","","","","","","","4","P 32","P 32","145","","","","- C45 N7 O10 S -","- C45 N7 O10 S -","- C135 N21 O30 S3 -","3","1","","Jeong, Rokam; Eom, Jae-Hoon; Gong, Jintaek; Kang, Minsang; Kim, Jaewook; Lee, Hee-Seung","Programmed hierarchical radial association of anisotropic foldamer assemblies.","Nanoscale","2022","14","5","1700","1705","10.1039/d1nr05135k","powder diffraction","x-ray","1.5173","","","","","","","","","0.16238","","2.31","","","","","","","has coordinates","272707","2022-02-04","19:51:38",""
"1565846","13.44","0.0003","14.3933","0.0003","14.8036","0.0003","84.073","0.001","76.728","0.001","62.777","0.001","2478.47","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cl3 O11 Rb -","- C54 H58 Cl3 O11 Rb -","- C108 H116 Cl6 O22 Rb2 -","2","1","YC5035","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0688","0.046","","","0.1194","0.1296","","","","","","1.044","","","","has coordinates","271673","2022-01-01","05:07:03",""
"1565847","13.1773","0.0015","20.344","0.002","22.581","0.003","90","","106.172","0.003","90","","5814","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H53 Cl9 Cs O10 -","- C55 H53 Cl9 Cs O10 -","- C220 H212 Cl36 Cs4 O40 -","4","1","","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0736","0.0462","","","0.1205","0.1388","","","","","","1.03","","","","has coordinates,has disorder","271673","2022-01-01","05:07:03",""
"1565848","13.166","0.005","31.338","0.012","14.278","0.005","90","","117.28","0.02","90","","5236","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H55 Cl3 Cs2 O11 -","- C53 H55 Cl3 Cs2 O11 -","- C212 H220 Cl12 Cs8 O44 -","4","1","","Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok","Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I)","IUCrJ","2022","9","1","43","48","10.1107/S2052252521010563","","","0.71073","MoKα","","0.0769","0.0488","","","0.1126","0.1295","","","","","","1.031","","","","has coordinates","271673","2022-01-01","05:07:04",""
"1565849","5.9523","0.0012","6.1001","0.0013","10.647","0.0007","77.308","0.01","82.353","0.01","72.64","0.01","359.02","0.11","295","2","295","2","","","0.71","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","FS5200","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","x-ray","0.71073","MoKα","","","","","","","0.1599","","","","","","0.998","","","","has coordinates","271674","2022-01-01","05:07:37",""
"1565850","5.9523","0.0012","6.1001","0.0013","10.647","0.0007","77.308","0.01","82.353","0.01","72.64","0.01","359.02","0.11","295","2","295","2","","","0.71","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","neutron","0.78","neutron","","","","","","","0.1651","","","","","","0.9999","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565851","5.9523","","6.1001","","10.647","","77.308","","82.353","","72.64","","359.016","","295","2","","","","","","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","","","","","","","","","","0.1756","","","","","","1.06","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565852","5.9523","","6.1001","","10.647","","77.308","","82.353","","72.64","","359.016","","295","2","","","","","","","","","","4","P -1","-P 1","2","blue vitriol","copper(II) sulfate pentahydrate","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J.","Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate","IUCrJ","2022","9","1","73","85","10.1107/S2052252521010708","","","","","","","","","","","0.1585","","","","","","1.17","","","","has coordinates","271674","2022-01-01","05:07:38",""
"1565853","16.252","0.0005","23.5373","0.0007","17.2102","0.0004","90","","101.773","0.003","90","","6444.9","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C73 H100 O6 -","- C73 H100 O6 -","- C292 H400 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.1357","0.0655","","","0.1662","0.207","","","","","","1.042","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565854","9.59","0.0006","18.199","0.007","18.547","0.008","114.31","0.04","91.36","0.02","91.7","0.02","2946","2","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 O6 -","- C66 H84 O6 -","- C132 H168 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.2318","0.1556","","","0.3923","0.4401","","","","","","1.19","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565855","13.8727","0.0006","16.0717","0.0006","17.6177","0.0006","77.127","0.003","66.915","0.004","76.404","0.003","3474.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 Cl8 O6 -","- C70 H92 Cl8 O6 -","- C140 H184 Cl16 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0851","0.0724","","","0.2037","0.2218","","","","","","1.025","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565856","12.261","0.0007","17.2425","0.0011","17.417","0.0012","118.625","0.007","92.647","0.005","98.062","0.005","3172.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H88 Cl4 O6 -","- C68 H88 Cl4 O6 -","- C136 H176 Cl8 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","","1.54184","CuKα","","0.0638","0.0508","","","0.1299","0.1415","","","","","","1.02","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565857","13.5391","0.0008","14.7702","0.0006","19.045","0.001","80.68","0.004","72.393","0.005","78.191","0.004","3532.8","0.3","100","0.12","100","0.12","","","","","","","","3","P -1","-P 1","2","","","","- C84 H102 O6 -","- C84 H102 O6 -","- C168 H204 O12 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0611","0.0464","","","0.124","0.1309","","","","","","0.988","","","","has coordinates,has disorder","271675","2022-01-01","05:12:18",""
"1565858","17.8792","0.001","19.6559","0.0015","18.9669","0.001","90","","96.732","0.005","90","","6619.6","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H90 Cl6 O6 -","- C69 H90 Cl6 O6 -","- C276 H360 Cl24 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","","0.71073","MoKα","","0.1896","0.1189","","","0.29","0.3347","","","","","","1.057","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565859","17.2109","0.0004","18.2986","0.0004","19.6172","0.0004","90","","94.521","0.002","90","","6158.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H96 O6 -","- C72 H96 O6 -","- C288 H384 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0966","0.0652","","","0.1866","0.1971","","","","","","1.052","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565860","17.1817","0.0006","18.7393","0.0006","19.4157","0.0006","90","","95.843","0.003","90","","6218.9","0.4","100.01","0.11","100.01","0.11","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C73 H92 O6 -","- C73 H92 O6 -","- C292 H368 O24 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.0777","0.0651","","","0.1607","0.1671","","","","","","1.234","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565861","17.0366","0.0003","18.4996","0.0003","19.762","0.0003","90","","94.288","0.002","90","","6210.96","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C69 H90 O8 -","- C69 H90 O8 -","- C276 H360 O32 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.1012","0.0827","","","0.2231","0.2383","","","","","","1.065","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565862","17.1261","0.0004","17.8832","0.0004","19.8489","0.0005","90","","93.914","0.002","90","","6064.9","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C70 H92 O7 -","- C70 H92 O7 -","- C280 H368 O28 -","4","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","1.54184","CuKα","","0.106","0.0792","","","0.2215","0.242","","","","","","1.076","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565863","14.1349","0.0008","16.1763","0.0011","17.0355","0.001","83.979","0.005","72.392","0.005","73.292","0.005","3555.3","0.4","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H92 O7 -","- C73 H92 O7 -","- C146 H184 O14 -","2","1","ED5024","Malinska, Maura","Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents","IUCrJ","2022","9","1","55","64","10.1107/S2052252521010678","","x-ray","0.71073","MoKα","","0.2133","0.1429","","","0.3812","0.4373","","","","","","1.356","","","","has coordinates,has disorder","271675","2022-01-01","05:12:19",""
"1565864","7.0651","0.0002","8.7859","0.0002","10.0906","0.0002","90","","90","","90","","626.36","0.03","300","0.1","300","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","LT5042","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0893","0.0913","","","","","","1.098","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565865","7.0604","0.0002","8.78","0.0002","10.0712","0.0002","90","","90","","90","","624.32","0.03","275","0.1","275","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0346","0.033","","","0.0834","0.0848","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565866","7.0533","0.0002","8.7742","0.0002","10.0552","0.0002","90","","90","","90","","622.29","0.03","250","0.1","250","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0338","0.0325","","","0.0849","0.086","","","","","","1.084","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565867","7.0476","0.0002","8.7682","0.0002","10.0363","0.0002","90","","90","","90","","620.19","0.03","225","0.1","225","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0838","0.0846","","","","","","1.115","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565868","7.0422","0.0002","8.7617","0.0002","10.0158","0.0002","90","","90","","90","","617.99","0.03","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0314","0.0304","","","0.0789","0.0797","","","","","","1.072","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565869","7.0473","0.0002","8.7636","0.0002","10.0299","0.0002","90","","90","","90","","619.44","0.03","190","0.1","190","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0354","0.0344","","","0.0903","0.0911","","","","","","1.086","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565870","7.0342","0.0001","8.7569","0.0002","10.0049","0.0002","90","","90","","90","","616.28","0.02","175","0.1","175","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.0767","0.0772","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565871","7.0336","0.0002","8.7575","0.0002","10.0065","0.0002","90","","90","","90","","616.37","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.079","0.0797","","","","","","1.067","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565872","7.0291","0.0001","8.7539","0.0001","9.9932","0.0002","90","","90","","90","","614.902","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.078","0.0783","","","","","","1.066","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565873","7.0245","0.0001","8.7517","0.0001","9.9817","0.0002","90","","90","","90","","613.638","0.017","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0295","0.0292","","","0.0741","0.0743","","","","","","1.074","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565874","7.0753","0.0007","8.7825","0.0007","10.099","0.01","90","","90","","90","","627.5","0.6","296","","296","","","","100","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.062","0.0318","","","0.0518","0.061","","","","","","1.038","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565875","6.934","0.0005","8.7568","0.0006","10.029","0.007","90","","90","","90","","609","0.4","296","2","296","","","","120000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0572","0.0297","","","0.0516","0.0586","","","","","","1.034","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565876","10.697","0.004","6.2545","0.0007","8.8012","0.001","90","","90","","90","","588.8","0.2","296","2","296","","","","240000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0495","0.0249","","","0.0378","0.0431","","","","","","1.081","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565877","10.654","0.003","6.1954","0.0006","8.7823","0.0008","90","","90","","90","","579.68","0.18","296","2","296","","","","490000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0567","0.0292","","","0.0565","0.0659","","","","","","1.135","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565878","7.0542","0.0004","8.7774","0.0014","10.1041","0.0005","90","","90","","90","","625.62","0.11","296","2","296","","","","90000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0636","0.0359","","","0.0735","0.0835","","","","","","1.058","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565879","7.0733","0.0006","8.7965","0.0006","10.042","0.008","90","","90","","90","","624.8","0.5","296","2","296","","","","100000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0613","0.0339","","","0.0493","0.0555","","","","","","1.11","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565880","6.9987","0.0003","8.774","0.0015","10.0863","0.0009","90","","90","","90","","619.37","0.12","296","2","296","","","","170000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0812","0.0904","","","","","","1.087","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565881","7.005","0.002","8.7554","0.0018","10.086","0.002","90","","90","","90","","618.6","0.2","296","2","296","","","","180000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.2367","0.143","","","0.3439","0.4295","","","","","","1.156","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565882","7.0156","0.0018","8.7539","0.0008","10.0529","0.0013","90","","90","","90","","617.39","0.19","296","2","296","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.1692","0.0617","","","0.0957","0.1228","","","","","","1.002","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565883","6.9235","0.0013","8.7578","0.0005","10.0265","0.0011","90","","90","","90","","607.95","0.14","296","2","296","","","","300000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0665","0.0425","","","0.0741","0.0811","","","","","","1.078","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565884","10.668","0.002","6.2042","0.0007","8.78","0.004","90","","90","","90","","581.1","0.3","296","2","296","2","","","540000","","","","","4","P n m a","-P 2ac 2n","62","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","0.5","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0693","0.0382","","","0.0817","0.094","","","","","","1.082","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565885","7.878","0.012","13.2446","0.0015","5.7134","0.0011","90","","101.14","0.06","90","","584.9","0.9","296","2","296","","","","170000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0768","0.0349","","","0.0713","0.0844","","","","","","1.129","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565886","7.885","0.006","13.2116","0.0006","5.6949","0.0003","90","","101.2","0.02","90","","582","0.4","296","2","296","","","","200000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0288","0.0207","","","0.0477","0.0509","","","","","","1.1","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565887","7.864","0.004","13.1668","0.0006","5.6843","0.0004","90","","101.159","0.016","90","","577.4","0.3","296","2","296","","","","250000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","","0.71073","MoKα","","0.0777","0.034","","","0.057","0.0665","","","","","","1.158","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565888","7.824","0.008","13.1476","0.0008","5.6603","0.0006","90","","101.05","0.04","90","","571.5","0.6","296","2","296","","","","330000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0996","0.0598","","","0.1455","0.1766","","","","","","1.077","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565889","7.824","0.004","13.0789","0.0006","5.629","0.0004","90","","100.793","0.019","90","","565.8","0.3","296","2","296","","","","400000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.076","0.0619","","","0.1476","0.1578","","","","","","1.08","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565890","7.836","0.002","12.9703","0.0012","5.5885","0.0005","90","","100.542","0.016","90","","558.4","0.16","296","2","296","","","","480000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0932","0.0544","","","0.0953","0.1117","","","","","","1.043","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565891","7.808","0.006","12.9522","0.0008","5.5722","0.0004","90","","100.54","0.02","90","","554","0.4","296","2","296","","","","550000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0337","0.0222","","","0.0441","0.048","","","","","","1.098","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565892","7.756","0.005","12.7163","0.0005","5.468","0.0003","90","","100.006","0.018","90","","531.1","0.3","296","2","296","","","","800000","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0607","0.0538","","","0.128","0.1326","","","","","","1.13","","","","has coordinates","271676","2022-01-01","05:14:00",""
"1565903","9.287","0.004","14.079","0.006","14.828","0.006","99.42","0.005","100.745","0.006","104.38","0.005","1799.6","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","Dicarbonylpyrenopyrrole monoanion","","","- C48 H26 N5 O2 P -","- C48 H26 N5 O2 P -","- C96 H52 N10 O4 P2 -","2","1","","Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu","Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design","Chemical Science","2022","","","","","10.1039/D1SC06070H","","","0.71075","MoKα","","0.0885","0.057","","","0.1176","0.1352","","","","","","1.025","","","","has coordinates","271797","2022-01-04","23:13:50",""
"1565904","11.934","0.002","13.207","0.002","14.026","0.003","117.428","0.008","103.381","0.01","100.452","0.016","1799.6","0.6","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Pyrenopyrrole momoanion","","","- C48 H28 N5 P -","- C48 H28 N5 P -","- C96 H56 N10 P2 -","2","1","","Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu","Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design","Chemical Science","2022","","","","","10.1039/D1SC06070H","","","0.71075","MoKα","","0.0927","0.0595","","","0.1458","0.1568","","","","","","1.031","","","","has coordinates","271797","2022-01-04","23:13:51",""
"1565905","7.529","0.002","30.222","0.009","13.985","0.004","90","","92.77","0.004","90","","3178.4","1.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pyrenodipyrrole dianion","","","- C40.5 H24 Cl N5 P -","- C40.5 H24 Cl N5 P -","- C162 H96 Cl4 N20 P4 -","4","1","","Kumar, sharvan; Yoshida, Kohshi; Hattori, Yusuke; Higashino, Tomohiro; Imahori, Hiroshi; Seki, Shu","Facile Synthesis of Ambient Stable Pyreno[4,5-b]pyrrole Monoanion and Pyreno[4,5-b:9,10-b’]dipyrrole Dianion: From Serendipity to Design","Chemical Science","2022","","","","","10.1039/D1SC06070H","","","0.71075","MoKα","","0.1364","0.0889","","","0.2445","0.267","","","","","","1.02","","","","has coordinates,has disorder","271797","2022-01-04","23:13:51",""
"1565906","32.9756","0.0004","9.2126","0.0001","13.7861","0.0002","90","","101.232","0.001","90","","4107.88","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0365","0.0335","","","0.0852","0.0884","","","","","","1.035","","","","has coordinates","272596","2022-02-04","19:16:34",""
"1565907","5.7626","0.0001","21.7654","0.0003","36.032","0.0005","90","","91.845","0.001","90","","4516.98","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C216 H216 N8 O24 -","8","2","","Zhang, Bei-Bei; Peng, Shuo; Wang, Feiyi; Lu, Cuifen; Nie, Junqi; Chen, Zuxing; Yang, Guichun; Ma, Chao","Borane-catalyzed cascade Friedel–Crafts alkylation/[1,5]-hydride transfer/Mannich cyclization to afford tetrahydroquinolines","Chemical Science","2022","13","3","775","780","10.1039/D1SC05629H","","x-ray","1.54184","CuKα","","0.0497","0.046","","","0.1235","0.1271","","","","","","1.034","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565908","9.4239","0.0001","10.0699","0.0001","11.235","0.0001","90","","103.712","0.001","90","","1035.79","0.018","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 O3 -","- C23 H26 N2 O3 -","- C46 H52 N4 O6 -","2","1","","Liang, Hui; Ji, Dong-Sheng; Xu, Guo-Qiang; Luo, Yong-Chun; Zheng, Haixue; Xu, Peng-Fei","Metal-free, visible-light induced enantioselective three-component dicarbofunctionalization and oxytrifluoromethylation of enamines via chiral phosphoric acid catalysis","Chemical Science","2022","13","4","1088","1094","10.1039/D1SC06613G","","x-ray","1.54184","CuKα","","0.0342","0.0331","","","0.0878","0.0884","","","","","","1.094","","","","has coordinates,has disorder","272581","2022-02-04","19:13:02",""
"1565909","8.0916","0.0006","6.0738","0.0005","12.9097","0.001","90","","105.671","0.007","90","","610.89","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H9 Br F N3 O -","- C12 H9 Br F N3 O -","- C24 H18 Br2 F2 N6 O2 -","2","1","","Komatsuda, Masaaki; Suto, Ayane; Kondo, Hiroki; Takada, Hiroyuki; Kato, Kenta; Saito, Bunnai; Yamaguchi, Junichiro","Ring-opening fluorination of bicyclic azaarenes","Chemical Science","2022","13","3","665","670","10.1039/D1SC06273E","","","1.5418","CuKα","","0.0324","0.0323","","","0.0846","0.0847","","","","","","1.148","","","","has coordinates","272595","2022-02-04","19:16:24",""
"1565910","8.8242","0.0003","7.5306","0.0002","19.3128","0.0006","90","","96.98","0.001","90","","1273.85","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0378","0.0328","","","0.0812","0.0851","","","","","","1.044","","","","has coordinates","272572","2022-02-04","19:11:05",""
"1565911","6.8237","0.0002","21.9249","0.0006","8.5663","0.0002","90","","96.654","0.001","90","","1272.96","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0467","0.0376","","","0.0936","0.1011","","","","","","1.024","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565912","11.917","0.0003","7.3388","0.0002","20.1019","0.0005","90","","92.932","0.001","90","","1755.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0543","0.0462","","","0.1176","0.126","","","","","","1.041","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565913","6.9435","0.0002","11.9044","0.0004","21.0418","0.0007","74.164","0.001","85.968","0.001","83.016","0.001","1659.59","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Li, Long-Hai; Wei, Hao-Zhao; Wei, Yin; Shi, Min","The Morita–Baylis–Hillman reaction for non-electron-deficient olefins enabled by photoredox catalysis","Chemical Science","2022","13","5","1478","1483","10.1039/D1SC06784B","","","0.71073","MoKα","","0.0527","0.039","","","0.0875","0.0967","","","","","","1.027","","","","has coordinates","272572","2022-02-04","19:11:06",""
"1565914","13.6939","0.0009","19.0018","0.0012","50.945","0.003","90","","90.412","0.004","90","","13256","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H128 Cl4 N12 O26 -","- C108 H128 Cl4 N12 O26 -","- C432 H512 Cl16 N48 O104 -","4","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2392","0.1224","","","0.3055","0.3812","","","","","","1.086","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565915","10.312","0.0012","20.687","0.002","26.395","0.003","74.272","0.007","81.268","0.008","78.693","0.008","5285.6","1","184","2","183.95","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H57 Cl2 N6 O11.5 -","- C49 H57 Cl2 N6 O11.5 -","- C196 H228 Cl8 N24 O46 -","4","2","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2236","0.1263","","","0.3271","0.4007","","","","","","1.036","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565916","9.22","0.02","19.51","0.05","20.82","0.05","62.99","0.05","86.96","0.06","78.01","0.05","3260","14","175","2","174.82","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 F12 N6 O7 P2 -","- C50 H52 F12 N6 O7 P2 -","- C100 H104 F24 N12 O14 P4 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.284","0.1221","","","0.3225","0.4298","","","","","","0.935","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565917","14.5032","0.0006","23.2785","0.001","23.8851","0.0011","107.441","0.003","93.266","0.003","104.627","0.003","7366.6","0.6","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H102 Cl2 N38 O25 -","- C102 H102 Cl2 N38 O25 -","- C204 H204 Cl4 N76 O50 -","2","1","","Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao","Ultramacrocyclization in water via external templation","Chemical Science","2022","13","3","798","803","10.1039/D1SC06236K","","","1.34139","GaKα","","0.2159","0.1686","","","0.3688","0.3908","","","","","","1.159","","","","has coordinates","272594","2022-02-04","19:16:16",""
"1565922","9.0213","0.0001","12.4023","0.0002","32.9897","0.0006","90","","94.685","0.001","90","","3678.72","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 B Cl2 O2 -","- C49 H37 B Cl2 O2 -","- C196 H148 B4 Cl8 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.4137","Synchrotron","","0.0711","0.0681","","","0.1675","0.1695","","","","","","1.163","","","","has coordinates,has disorder","272570","2022-02-04","19:10:32",""
"1565923","9.1151","0.0002","12.6682","0.0002","21.4094","0.0004","89.252","0.002","84.01","0.002","84.665","0.002","2448.02","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 B Cl2 O2 Si2 -","- C63 H53 B Cl2 O2 Si2 -","- C126 H106 B2 Cl4 O4 Si4 -","2","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.0845","0.058","","","0.1497","0.1636","","","","","","1.033","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565924","18.5697","0.0008","12.0685","0.0004","16.8103","0.0007","90","","95.339","0.004","90","","3751","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H37 B O2 -","- C54 H37 B O2 -","- C216 H148 B4 O8 -","4","1","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1407","0.0613","","","0.1231","0.1558","","","","","","1.008","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565925","12.1456","0.0004","15.8222","0.0005","35.8589","0.0012","90","","98.879","0.003","90","","6808.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 B O2 -","- C50 H35 B O2 -","- C400 H280 B8 O16 -","8","2","","Narita, Hiroki; Choi, Heekyoung; Ito, Masato; Ando, Naoki; Ogi, Soichiro; Yamaguchi, Shigehiro","Fully fused boron-doped polycyclic aromatic hydrocarbons: their synthesis, structure–property relationships, and self-assembly behavior in aqueous media","Chemical Science","2022","13","5","1484","1491","10.1039/D1SC06710A","","","0.71073","MoKα","","0.1737","0.0666","","","0.1272","0.1682","","","","","","1.005","","","","has coordinates","272570","2022-02-04","19:10:33",""
"1565926","12.239","0.004","20.228","0.003","19.483","0.002","90","","99.971","0.01","90","","4750.6","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 Ni O9 P2 -","- C50 H59 Ni O9 P2 -","- C200 H236 Ni4 O36 P8 -","4","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0686","0.0651","","","0.1787","0.1818","","","","","","1.109","","","","has coordinates","272577","2022-02-04","19:11:54",""
"1565927","9.0475","0.0015","18.2763","0.0014","12.7484","0.0011","90","","105.437","0.009","90","","2032","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H64 Ni O P2 -","- C45 H64 Ni O P2 -","- C90 H128 Ni2 O2 P4 -","2","1","","Luu, Quang H.; Li, Junqi","A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones","Chemical Science","2022","13","4","1095","1100","10.1039/D1SC06968C","","","1.54178","CuKα","","0.0363","0.035","","","0.0793","0.0801","","","","","","1.13","","","","has coordinates,has disorder","272577","2022-02-04","19:11:54",""
"1565928","10.4308","0.00005","10.4308","0.00005","7.86002","0.00004","90","","90","","120","","740.61","0.006","","","298","","","","100","","","","","4","P 63/m","-P 6c","176","Ba(VO4)3F","","apatite analogue","- Ba5 F O12 V3 -","- F O12 Pb5 V3 -","- F2 O24 Pb10 V6 -","2","0.166667","","Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M.","Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba)","Journal of the Ceramic Society of Japan","2022","130","","35","38","10.2109/jcersj2.130.P1-1","","","","","","","","","","","","","","","","","","","","","has coordinates","271967","2022-01-09","06:53:33",""
"1565929","10.01267","0.00007","10.01267","0.00007","7.43169","0.00004","90","","90","","120","","645.235","0.007","","","298","","","","100","","","","","4","P 63/m","-P 6c","176","Sr(VO4)3F","","apatite analogue","- F O12 Sr5 V3 -","- F O12 Pb5 V3 -","- F2 O24 Pb10 V6 -","2","0.166667","","Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M.","Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba)","Journal of the Ceramic Society of Japan","2022","130","","35","38","10.2109/jcersj2.130.P1-1","","","","","","","","","","","","","","","","","","","","","has coordinates","271968","2022-01-09","06:54:20",""
"1565930","10.10647","0.00015","10.10647","0.00015","7.35582","0.00008","90","","90","","120","","650.67","0.015","","","298","","","","100","","","","","4","P 63/m","-P 6c","176","Pb(VO4)3F","","apatite analogue","- F O12 Pb5 V3 -","- F O12 Pb5 V3 -","- F2 O24 Pb10 V6 -","2","0.166667","","Oka, K.; Nishiki, W.; Takasu, M.; Noma, N.; Iwasaki, M.","Site preference of fluoride anion and potential ionic conductivity in fluorapatites A5(VO4)3F (A = Pb, Sr, and Ba): Pb(VO4)3F","Journal of the Ceramic Society of Japan","2022","130","","35","38","10.2109/jcersj2.130.P1-1","","","","","","","","","","","","","","","","","","","","","has coordinates","271969","2022-01-09","06:54:55",""
"1565931","11.7531","0.0005","23.1655","0.0012","13.3165","0.0007","90","","95.94","0.005","90","","3606.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H94 Cl4 P2 Pt2 S4 -","- C78 H94 Cl4 P2 Pt2 S4 -","- C156 H188 Cl8 P4 Pt4 S8 -","2","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","x-ray","0.71073","MoKα","","0.0486","0.0312","","","0.0624","0.0707","","","","","","1.091","","","","has coordinates,has disorder","273378","2022-03-04","22:17:10",""
"1565932","14.31","0.003","17.506","0.004","14.665","0.003","90","","100.92","0.03","90","","3607.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","- C152 H180 P4 Pt4 S8 -","2","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","","0.71073","MoKα","","0.0303","0.0288","","","0.0761","0.0776","","","","","","1.025","","","","has coordinates","273378","2022-03-04","22:17:10",""
"1565933","13.016","0.002","13.366","0.003","14.337","0.002","62.656","0.018","63.186","0.019","69.974","0.017","1948.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","1","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","","0.71073","MoKα","","0.145","0.0911","","","0.2075","0.2333","","","","","","0.938","","","","has coordinates","273378","2022-03-04","22:17:10",""
"1565934","6.8611","0.0006","7.6716","0.0006","7.6014","0.0007","90","","117.787","0.012","90","","353.97","0.07","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0266","0.023","","","0.0547","0.0577","","","","","","1.112","","","","has coordinates","273468","2022-03-06","04:38:15",""
"1565935","6.856","0.0009","7.6675","0.0008","7.6008","0.001","90","","117.821","0.017","90","","353.38","0.09","30","2","30","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0588","0.0505","","","0.1202","0.1267","","","","","","1.051","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565936","6.8648","0.001","7.6684","0.001","7.6055","0.001","90","","117.792","0.01","90","","354.18","0.09","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0156","0.0148","","","0.0423","0.0426","","","","","","1.206","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565937","6.8717","0.001","7.6629","0.001","7.6098","0.001","90","","117.833","0.01","90","","354.35","0.09","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.016","0.0151","","","0.0435","0.0438","","","","","","1.232","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565938","6.8815","0.001","7.6534","0.001","7.6172","0.001","90","","117.884","0.01","90","","354.6","0.09","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0167","0.0156","","","0.0444","0.0448","","","","","","1.202","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565939","6.8937","0.001","7.6466","0.001","7.6275","0.001","90","","117.943","0.01","90","","355.2","0.09","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0163","0.0151","","","0.044","0.0445","","","","","","1.2","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565940","6.907","0.001","7.6356","0.001","7.6373","0.001","90","","118.021","0.01","90","","355.57","0.09","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0157","","","0.0454","0.0457","","","","","","1.211","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565941","6.9227","0.001","7.6212","0.001","7.6488","0.001","90","","118.112","0.01","90","","355.94","0.09","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe0 H2 Mg O5 S -","- H2 Mg O5 S -","- H8 Mg4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0185","0.0172","","","0.048","0.0484","","","","","","1.18","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565942","7.0304","0.0008","7.5789","0.0006","7.7374","0.0008","90","","118.314","0.014","90","","362.95","0.08","45","2","45","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0177","0.0172","","","0.042","0.0424","","","","","","1.121","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565943","7.032","0.0008","7.5783","0.0006","7.7396","0.0008","90","","118.328","0.014","90","","363.06","0.08","60","2","60","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0188","0.0177","","","0.0424","0.0436","","","","","","1.094","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565944","7.0337","0.0009","7.5789","0.0007","7.7406","0.0009","90","","118.325","0.016","90","","363.23","0.09","75","2","75","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.02","0.0187","","","0.0501","0.0516","","","","","","1.12","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565945","7.0404","0.001","7.5756","0.001","7.745","0.001","90","","118.368","0.01","90","","363.48","0.09","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0129","0.0127","","","0.0321","0.0322","","","","","","1.193","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565946","7.0482","0.001","7.5706","0.001","7.7498","0.001","90","","118.404","0.01","90","","363.74","0.09","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.013","0.0128","","","0.0331","0.0332","","","","","","1.182","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565947","7.058","0.001","7.5663","0.001","7.7576","0.001","90","","118.454","0.01","90","","364.23","0.09","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0131","0.0128","","","0.0337","0.0338","","","","","","1.168","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565948","7.0696","0.001","7.562","0.001","7.7669","0.001","90","","118.515","0.01","90","","364.85","0.09","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0134","0.0132","","","0.0352","0.0353","","","","","","1.146","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565949","7.0802","0.001","7.5565","0.001","7.7755","0.001","90","","118.579","0.01","90","","365.31","0.09","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.014","0.0137","","","0.0358","0.036","","","","","","1.101","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565950","7.0923","0.001","7.5523","0.001","7.7848","0.001","90","","118.648","0.01","90","","365.93","0.09","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe H2 Mg0 O5 S -","- Fe H2 O5 S -","- Fe4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.015","0.0146","","","0.0377","0.0379","","","","","","1.128","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565951","6.9143","0.001","7.629","0.0008","7.5815","0.001","90","","118.191","0.016","90","","352.48","0.09","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0331","0.0269","","","0.0593","0.065","","","","","","1.146","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565952","6.9142","0.001","7.6267","0.0008","7.581","0.001","90","","118.179","0.016","90","","352.38","0.09","30","2","30","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0337","0.0285","","","0.0584","0.0617","","","","","","1.113","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565953","6.9295","0.001","7.6205","0.001","7.5982","0.001","90","","118.381","0.01","90","","353.01","0.09","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0118","0.0116","","","0.0284","0.0284","","","","","","1.147","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565954","6.9354","0.001","7.6179","0.001","7.6043","0.001","90","","118.397","0.01","90","","353.42","0.09","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.012","0.0118","","","0.0294","0.0295","","","","","","1.139","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565955","6.9432","0.001","7.6126","0.001","7.6107","0.001","90","","118.441","0.01","90","","353.72","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0119","0.0117","","","0.0298","0.0299","","","","","","1.135","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565956","6.9526","0.001","7.6051","0.001","7.6184","0.001","90","","118.497","0.01","90","","354.02","0.09","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0123","0.0122","","","0.0318","0.0319","","","","","","1.161","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565957","6.9641","0.001","7.599","0.001","7.6275","0.001","90","","118.553","0.01","90","","354.56","0.09","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0124","0.0121","","","0.0317","0.0319","","","","","","1.16","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565958","6.9765","0.001","7.5904","0.001","7.6373","0.001","90","","118.616","0.01","90","","355.03","0.09","313","2","313","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H2 O5 S -","- Co H2 O5 S -","- Co4 H8 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0124","0.0122","","","0.033","0.033","","","","","","1.207","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565959","6.7979","0.0011","7.6403","0.0009","7.4489","0.0012","90","","117.51","0.02","90","","343.14","0.11","15","2","15","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.028","0.026","","","0.0641","0.0661","","","","","","1.107","","","","has coordinates","273468","2022-03-06","04:38:16",""
"1565960","6.7999","0.0008","7.6222","0.0006","7.4405","0.0009","90","","117.579","0.015","90","","341.82","0.08","45","2","45","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0212","0.0199","","","0.0501","0.0513","","","","","","1.106","","","","has coordinates","273468","2022-03-06","04:38:20",""
"1565961","6.8026","0.0009","7.6191","0.0007","7.445","0.001","90","","117.611","0.017","90","","341.93","0.09","75","2","75","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0227","0.0209","","","0.0509","0.052","","","","","","1.12","","","","has coordinates","273468","2022-03-06","04:38:24",""
"1565962","6.8037","0.001","7.6178","0.001","7.4371","0.001","90","","117.58","0.01","90","","341.66","0.09","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0161","","","0.0419","0.0422","","","","","","1.123","","","","has coordinates","273468","2022-03-06","04:38:24",""
"1565963","6.8069","0.001","7.6152","0.001","7.4398","0.001","90","","117.597","0.01","90","","341.77","0.09","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0161","0.0155","","","0.0409","0.0413","","","","","","1.11","","","","has coordinates","273468","2022-03-06","04:38:27",""
"1565964","6.8115","0.001","7.6122","0.001","7.4444","0.001","90","","117.629","0.01","90","","341.98","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0167","0.016","","","0.0416","0.042","","","","","","1.118","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565965","6.8176","0.001","7.6098","0.001","7.4513","0.001","90","","117.676","0.01","90","","342.35","0.09","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0172","0.0163","","","0.0433","0.0437","","","","","","1.128","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565966","6.8252","0.001","7.607","0.001","7.4587","0.001","90","","117.724","0.01","90","","342.79","0.09","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0162","0.0154","","","0.0408","0.0411","","","","","","1.127","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565967","6.8332","0.001","7.6026","0.001","7.4669","0.001","90","","117.776","0.01","90","","343.21","0.09","313","2","313","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Ni O5 S -","- H2 Ni O5 S -","- H8 Ni4 O20 S4 -","4","0.5","","Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald","Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K","IUCrJ","2022","9","2","194","203","10.1107/S2052252521012720","","","0.71073","MoKα","","0.0166","0.0159","","","0.0416","0.0419","","","","","","1.133","","","","has coordinates","273468","2022-03-06","04:38:30",""
"1565968","9.2977","0.0004","18.09","0.0008","12.934","0.0006","90","","96.379","0.002","90","","2161.97","0.17","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl Cr F6 N5 O P -","- C16 H22 Cl Cr F6 N5 O P -","- C64 H88 Cl4 Cr4 F24 N20 O4 P4 -","4","1","","Das, Sandip; kulbir, Kulbir; Ray, Soumyadip; Devi, Tarali; Ghosh, Somnath; Harmalkar, Sarvesh S.; Dhuri, Sunder Narayan; Mondal, Padmabati; Kumar, Pankaj","Why Intermolecular Nitric Oxide (NO) Transfer? Exploring the Factors and Mechanistic Aspects of NO Transfer Reaction","Chemical Science","2022","","","","","10.1039/D1SC06803B","","","0.71073","MoKα","","0.1302","0.0939","","","0.2085","0.2279","","","","","","1.1","","","","has coordinates","271990","2022-01-11","23:08:06",""
"1565969","13.074","0.008","14.786","0.009","14.943","0.009","61.869","0.01","70.792","0.011","66.806","0.011","2305","2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H76 B2 Cu2 F8 N4 P4 -","- C94 H76 B2 Cu2 F8 N4 P4 -","- C94 H76 B2 Cu2 F8 N4 P4 -","1","0.5","","Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing","Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations","Inorganica Chimica Acta","2022","529","","120639","","10.1016/j.ica.2021.120639","","","0.71073","MoKα","","0.184","0.0827","","","0.2472","0.3117","","","","","","0.966","","","","has coordinates,has disorder","272003","2022-01-12","11:11:01",""
"1565970","10.047","0.0008","13.7944","0.0011","14.3988","0.0011","92.486","0.002","109.632","0.002","101.325","0.002","1830","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H68 B2 Cu2 F8 N4 P4 -","- C76 H68 B2 Cu2 F8 N4 P4 -","- C76 H68 B2 Cu2 F8 N4 P4 -","1","0.5","","Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing","Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations","Inorganica Chimica Acta","2022","529","","120639","","10.1016/j.ica.2021.120639","","","0.71073","MoKα","","0.0755","0.0548","","","0.1534","0.1667","","","","","","1.026","","","","has coordinates","272004","2022-01-12","11:12:17",""
"1565971","10.211","0.002","14.868","0.003","16.393","0.003","111.293","0.004","91.589","0.004","98.853","0.004","2281.8","0.8","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H72 B2 Cu2 F8 N4 O2 P4 -","- C94 H72 B2 Cu2 F8 N4 O2 P4 -","- C94 H72 B2 Cu2 F8 N4 O2 P4 -","1","0.5","","Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing","Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations","Inorganica Chimica Acta","2022","529","","120639","","10.1016/j.ica.2021.120639","","","0.71073","MoKα","","0.1096","0.0832","","","0.2518","0.2859","","","","","","1.071","","","","has coordinates","272005","2022-01-12","11:13:38",""
"1565972","22.958","0.0007","9.4271","0.0003","7.0146","0.0003","90","","90","","90","","1518.15","0.09","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H13 B Br N -","- C20 H13 B Br N -","- C80 H52 B4 Br4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.0544","0.0353","","","0.0624","0.0679","","","","","","1.035","","","","has coordinates","272580","2022-02-04","19:12:53",""
"1565973","6.6409","0.0002","12.0504","0.0004","15.9138","0.0006","78.061","0.003","78.902","0.003","79.901","0.003","1210.42","0.07","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 B N -","- C33 H26 B N -","- C66 H52 B2 N2 -","2","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","1.54184","CuKα","","0.0683","0.0571","","","0.1596","0.166","","","","","","1.053","","","","has coordinates,has disorder","272580","2022-02-04","19:12:55",""
"1565974","12.0461","0.0006","17.1985","0.0005","13.07","0.0006","90","","109.463","0.005","90","","2553","0.2","120.1","0.4","120.1","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B N -","- C34 H30 B N -","- C136 H120 B4 N4 -","4","1","","Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.","Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties","Chemical Science","2022","13","4","1136","1145","10.1039/D1SC06513K","","x-ray","0.71073","MoKα","","0.1324","0.0623","","","0.1182","0.1424","","","","","","1.017","","","","has coordinates","272580","2022-02-04","19:12:55",""
"1565975","15.755","0.0003","25.4335","0.0004","21.5604","0.0004","90","","92.253","0.001","90","","8632.7","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H252 F4 N6 O71 V24 -","- C113 H252 F4 N6 O71 V24 -","- C226 H504 F8 N12 O142 V48 -","2","0.5","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0435","0.0358","","","0.0882","0.0925","","","","","","1.025","","","","has coordinates,has disorder","274936","2022-05-05","20:17:34",""
"1565976","17.7995","0.0004","23.6442","0.0005","20.9424","0.0004","90","","91.945","0.001","90","","8808.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H126 F2 N4 O34 V12 -","- C59 H126 F2 N4 O34 V12 -","- C236 H504 F8 N16 O136 V48 -","4","1","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0773","0.0559","","","0.1338","0.1455","","","","","","1.05","","","","has coordinates,has disorder","274936","2022-05-05","20:17:35",""
"1565977","17.199","0.0004","21.6914","0.0005","54.059","0.0012","90","","90","","90","","20167.8","0.8","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H117 F2 N3 O32 V12 -","- C52 H117 F2 N3 O32 V12 -","- C416 H936 F16 N24 O256 V96 -","8","2","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.1321","0.0905","","","0.2017","0.2254","","","","","","1.057","","","","has coordinates","274936","2022-05-05","20:17:35",""
"1565978","16.922","0.0015","17.1293","0.0018","27.104","0.003","90","","100.952","0.004","90","","7713.3","1.4","162","2","162","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","tetraepoxyoctabenzo[20]cyclacene-C60","","","- C214 H136 Cl4 O4 -","- C214 H136 Cl4 O4 -","- C428 H272 Cl8 O8 -","2","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.262","0.1808","","","0.4293","0.4849","","","","","","1.05","","","","has coordinates","273352","2022-03-04","22:07:32",""
"1565979","14.1531","0.0019","17.009","0.003","17.275","0.003","93.079","0.007","100.115","0.006","110.482","0.006","3805.1","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Octa(t-butyl)-tetraepoxyoctabenzo[20]cyclacene 5(C2H4Cl2) 2(CH2Cl2)","","","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","- C148 H128 Cl14 O4 -","1","0.5","","Chen, Han; Xia, Zeming; Miao, Qian","Synthesis, aromatization and cavitates of an oxanorbornene-fused dibenzo[de,qr]tetracene nanobox","Chemical Science","2022","13","8","2280","2285","10.1039/D1SC06553J","","","0.71073","MoKα","","0.2505","0.1526","","","0.3946","0.4518","","","","","","1.365","","","","has coordinates","273352","2022-03-04","22:07:33",""
"1565980","10.0419","0.0005","15.6393","0.0007","42.1081","0.0019","92.477","0.002","91.364","0.002","91.427","0.002","6602.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H62 Ca4 F8 O19 -","- C108 H62 Ca4 F8 O19 -","- C216 H124 Ca8 F16 O38 -","2","1","","Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing","Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation","Chemical Science","2022","13","5","1375","1381","10.1039/D1SC05594A","","","0.7288","synchrotron","","0.0794","0.0597","","","0.1666","0.1759","","","","","","1.048","","","","has coordinates,has disorder","272573","2022-02-04","19:11:14",""
"1565981","16.0665","0.0019","17.2536","0.001","17.4364","0.001","111.025","0.006","94.188","0.007","96.672","0.008","4446.7","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C100 H108 F6 N8 O2 S5 -","- C100 H108 F6 N8 O2 S5 -","- C200 H216 F12 N16 O4 S10 -","2","1","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2145","0.1329","","","0.3599","0.405","","","","","","1.369","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1565982","24.0563","0.0004","25.5964","0.0004","43.2943","0.0007","90","","93.25","0.001","90","","26615.8","0.7","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H102 F6 N8 O2 S5 -","- C98 H102 F6 N8 O2 S5 -","- C980 H1020 F60 N80 O20 S50 -","10","2.5","","Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J.","Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells","Energy & Environmental Science","2022","15","2","645","659","10.1039/D1EE03225A","","x-ray","1.54184","CuKα","","0.2087","0.1694","","","0.4542","0.4809","","","","","","1.783","","","","has coordinates,has disorder","273375","2022-03-04","22:16:17",""
"1565983","7.6135","0.0003","23.9582","0.0011","12.4828","0.0006","90","","90","","90","","2276.93","0.18","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al61.49 Mn11.35 Ni4 -","- Al61.486 Mn11.354 Ni4 -","- Al122.972 Mn22.708 Ni8 -","2","0.125","WM4158","Hu, Qifa; Wen, Bin; Fan, Changzeng","The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system","IUCrData","2022","7","1","x220038","","10.1107/S2414314622000384","","","0.71073","MoKα","","0.0556","0.039","","","0.0876","0.0945","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","272821","2022-02-06","04:45:35",""
"1565984","16.53","0.1","12.81","0.05","13.46","0.07","90","","90","","90","","2850","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Sulfonylbis(bromomethylene)]dibenzene","","- C14 H12 Br2 O2 S -","- C14 H12 Br2 O2 S -","- C112 H96 Br16 O16 S8 -","8","1","WM4157","Corfield, Peter W. R.","[Sulfonylbis(bromomethylene)]dibenzene","IUCrData","2022","7","1","x211351","","10.1107/S2414314621013511","","","0.7107","MoKα","","0.0632","0.046","","","0.099","0.1054","","","","","","1.104","","","","has coordinates,has Fobs","272058","2022-01-15","02:54:41",""
"1565985","6.3657","0.0005","8.1428","0.0007","12.1896","0.0011","72.595","0.002","89.376","0.002","87.805","0.002","602.47","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","1","0.5","WM4159","Liu, Lin; Han, Zheng-Bo","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","IUCrData","2022","7","1","x220046","","10.1107/S2414314622000463","","","0.71073","MoKα","","0.0475","0.0377","","","0.0874","0.0926","","","","","","1.03","","","","has coordinates,has Fobs","272059","2022-01-15","02:55:00",""
"1565987","8.4854","0.0004","8.9023","0.0004","10.1517","0.0005","68.874","0.002","65.755","0.002","77.396","0.002","650","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O8 Zn -","- C26 H32 N4 O8 Zn -","- C26 H32 N4 O8 Zn -","1","0.5","","Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam","Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands","Journal of Molecular Structure","2022","1254","","132317","","10.1016/j.molstruc.2021.132317","","x-ray","1.54178","CuKα","","0.0432","0.0429","","","0.1144","0.1147","","","","","","1.048","","","","has coordinates,has Fobs","272078","2022-01-16","16:04:03",""
"1565988","8.1759","0.0005","10.9024","0.0007","11.1088","0.0007","98.356","0.003","99.482","0.002","100.719","0.003","943.68","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 N8 Ni2 O8 -","- C36 H54 N8 Ni2 O8 -","- C36 H54 N8 Ni2 O8 -","1","0.5","","Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam","Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands","Journal of Molecular Structure","2022","1254","","132317","","10.1016/j.molstruc.2021.132317","","x-ray","1.54178","","","0.0634","0.0626","","","0.1968","0.1972","","","","","","1.13","","","","has coordinates,has Fobs","272079","2022-01-16","16:04:24",""
"1565989","8.7501","0.0002","9.4842","0.0002","10.6727","0.0002","70.743","0.001","68.904","0.001","80.513","0.001","779.04","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N4 Ni O8 -","- C32 H36 N4 Ni O8 -","- C32 H36 N4 Ni O8 -","1","0.5","","Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam","Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands","Journal of Molecular Structure","2022","1254","","132317","","10.1016/j.molstruc.2021.132317","","x-ray","1.34139","GaKα","","0.0241","0.024","","","0.0726","0.0732","","","","","","1.145","","","","has coordinates,has Fobs","272080","2022-01-16","16:04:33",""
"1565990","9.8822","0.0003","10.8076","0.0004","19.0586","0.0004","91.26","0.002","99.324","0.002","111.144","0.003","1866.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N6 O9 Zn1.5 -","- C37 H49 N6 O9 Zn1.5 -","- C74 H98 N12 O18 Zn3 -","2","1","","Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam","Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands","Journal of Molecular Structure","2022","1254","","132317","","10.1016/j.molstruc.2021.132317","","","1.54184","CuKα","","0.0628","0.0478","","","0.1209","0.1306","","","","","","1.0478","","","","has coordinates,has disorder,has Fobs","272081","2022-01-16","16:04:48",""
"1565992","23.4286","0.0004","23.4286","0.0004","24.2838","0.0005","90","","90","","90","","13329.4","0.4","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H199 K4 O99.5 P2 -","- C80 H107 K3 O99.5 P2 -","- C320 H428 K12 O398 P8 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0893","0.0826","","","0.2328","0.2433","","","","","","1.047","","","","has coordinates,has disorder","273345","2022-03-04","22:05:01",""
"1565993","23.5333","0.0018","23.5333","0.0018","24.406","0.003","90","","90","","90","","13516","2","150","","150","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C81 H195 K4 O96.5 P2 -","- C81 H101 K2.9999 O96.5012 P2.0006 -","- C324 H404 K11.9996 O386.005 P8.0024 -","4","0.5","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0906","0.087","","","0.245","0.2548","","","","","","1.21","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565994","22.944","0.003","13.9699","0.0015","44.772","0.005","90","","92.681","0.008","90","","14335","3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C168 H443 K8 O213.5 P4 -","- C166 H183 K O210.5 P3.5 -","- C332 H366 K2 O421 P7 -","2","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.1136","0.0947","","","0.2295","0.2503","","","","","","1.033","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565995","23.3244","0.001","23.3244","0.001","48.784","0.003","90","","90","","90","","26540","2","120","","120","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C82 H201.75 K4 O98.88 P2 -","- C82 H102 K4.74985 O98.8333 P2 -","- C656 H816 K37.9988 O790.666 P16 -","8","1","","Scelle, Jérémy; Vervoitte, Hugo; Bouteiller, Laurent; Chamoreau, Lise-Marie; Sollogoub, Matthieu; Vives, Guillaume; Hasenknopf, Bernold","Size-dependent compression of threaded alkyldiphosphate in head to head cyclodextrin [3]pseudorotaxanes","Chemical Science","2022","13","8","2218","2225","10.1039/D1SC05697B","","","1.54178","CuKα","","0.0882","0.0842","","","0.2352","0.2406","","","","","","1.042","","","","has coordinates,has disorder","273345","2022-03-04","22:05:02",""
"1565996","11.1868","0.001","10.5562","0.0009","15.7691","0.0015","90","","106.7","0.003","90","","1783.6","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 B F O4 S -","- C17 H26 B F O4 S -","- C68 H104 B4 F4 O16 S4 -","4","1","","Tao, Xiangzhang; Ni, Shengyang; Kong, Lingyu; Wang, Yi; Pan, Yi","Radical Boron Walking of Allylboronic Esters","Chemical Science","2022","","","","","10.1039/D1SC06760E","","","0.71073","MoKα","","0.0763","0.0613","","","0.169","0.186","","","","","","1.028","","","","has coordinates","272087","2022-01-17","23:07:53",""
"1565997","15.1747","0.0003","7.9459","0.0001","15.6507","0.0003","90","","109.255","0.002","90","","1781.54","0.06","249.99","0.1","249.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 B2 Nd O2 -","- C13 H29 B2 Nd O2 -","- C52 H116 B8 Nd4 O8 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","x-ray","0.71073","MoKα","","0.0365","0.0264","","","0.0675","0.0705","","","","","","1.067","","","","has coordinates,has disorder","272094","2022-01-18","08:32:08",""
"1565998","9.2168","0.0004","21.925","0.0011","17.7809","0.0009","90","","94.5619","0.0011","90","","3581.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H58 B2 Na Nd O8 -","- C30 H58 B2 Na Nd O8 -","- C120 H232 B8 Na4 Nd4 O32 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.076","0.0447","","","0.0755","0.0838","","","","","","1.017","","","","has coordinates","272094","2022-01-18","08:32:11",""
"1565999","8.0165","0.0001","14.0995","0.0001","13.664","0.0002","90","","106.997","0.001","90","","1476.96","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B Nd O -","- C14 H22 B Nd O -","- C56 H88 B4 Nd4 O4 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","x-ray","1.54184","CuKα","","0.0384","0.0375","","","0.1082","0.109","","","","","","1.147","","","","has coordinates","272094","2022-01-18","08:32:13",""
"1566000","24.842","0.005","14.238","0.003","18.216","0.004","90","","90","","90","","6443","2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H50 B2 Na Nd O7 -","- C26 H50 B2 Na Nd O7 -","- C208 H400 B16 Na8 Nd8 O56 -","8","2","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.0532","0.0403","","","0.0768","0.0812","","","","","","0.988","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1566001","20.668","0.01","13.072","0.006","25.51","0.02","90","","93.12","0.02","90","","6882","7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H109 B5 Na Nd3 O14 -","- C57 H109 B5 Na Nd3 O14 -","- C228 H436 B20 Na4 Nd12 O56 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.0928","0.0603","","","0.1249","0.1424","","","","","","0.935","","","","has coordinates,has disorder","272094","2022-01-18","08:32:26",""
"1566002","11.254","0.0004","11.7537","0.0004","24.0869","0.0009","90","","95.079","0.001","90","","3173.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45.39 B1.6 Cl1.4 O6 Tb2 -","- C27 H45.384 B1.596 Cl1.404 O6 Tb2 -","- C108 H181.536 B6.384 Cl5.616 O24 Tb8 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.1002","0.0396","","","0.0767","0.0939","","","","","","0.978","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566003","13.8957","0.0006","13.8957","0.0006","34.124","0.002","90","","90","","120","","5706.3","0.5","130","2","130","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C32.5 H58.5 B1.5 Na Nd O8 -","- C32.5 H58.5 B1.5 Na Nd O8 -","- C195 H351 B9 Na6 Nd6 O48 -","6","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.1316","0.0911","","","0.2317","0.2592","","","","","","1.035","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566004","13.8128","0.0019","13.8128","0.0019","33.7","0.007","90","","90","","120","","5568.3","1.6","120","2","120","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C32.5 H58.5 B1.5 Na O8 Tb -","- C32.5 H52.5 B1.5 Na O8 Tb -","- C195 H315 B9 Na6 O48 Tb6 -","6","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.0835","0.0718","","","0.203","0.2181","","","","","","0.99","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566005","20.6479","0.0015","13.1522","0.0009","25.776","0.002","90","","92.54","0.002","90","","6993","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58.39 H109.28 B4.72 La3 Na O14 -","- C58.385 H109.277 B4.723 La3 Na O14 -","- C233.54 H437.108 B18.892 La12 Na4 O56 -","4","1","","Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.","Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization","Inorganica Chimica Acta","2022","529","","120638","","10.1016/j.ica.2021.120638","","","0.71073","MoKα","","0.111","0.0649","","","0.1353","0.1574","","","","","","0.988","","","","has coordinates,has disorder","272094","2022-01-18","08:32:29",""
"1566006","28.4132","0.0018","4.957","0.0003","25.9948","0.0012","90","","91.098","0.004","90","","3660.5","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","1","","Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui","A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography","Inorganica Chimica Acta","2022","529","","120642","","10.1016/j.ica.2021.120642","","","0.71073","MoKα","","0.0922","0.0549","","","0.1183","0.1381","","","","","","1.08","","","","has coordinates","272095","2022-01-18","08:41:22",""
"1566007","10.7978","0.0005","11.712","0.0006","12.4107","0.0006","105.267","0.003","112.786","0.003","103.687","0.003","1290.84","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Co3 N4 O18 -","- C50 H58 Co3 N4 O18 -","- C50 H58 Co3 N4 O18 -","1","0.5","","Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui","A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography","Inorganica Chimica Acta","2022","529","","120642","","10.1016/j.ica.2021.120642","","","1.54178","CuKα","","0.0558","0.0398","","","0.091","0.098","","","","","","1.045","","","","has coordinates","272095","2022-01-18","08:41:23",""
"1566008","8.8691","0.0003","10.1399","0.0004","11.7773","0.0004","77.18","0.002","77.012","0.002","66.128","0.002","933.52","0.06","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl Cu N4 O6 -","- C16 H17 Cl Cu N4 O6 -","- C32 H34 Cl2 Cu2 N8 O12 -","2","1","","Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui","Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand","Inorganica Chimica Acta","2022","529","","120634","","10.1016/j.ica.2021.120634","","","1.54178","CuKα","","0.1467","0.0615","","","0.1841","0.2302","","","","","","1.179","","","","has coordinates","272096","2022-01-18","09:00:32",""
"1566009","10.1814","0.0003","11.8905","0.0003","13.7196","0.0003","90","","93.703","0.002","90","","1657.45","0.07","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br Cu N4 O5 -","- C15 H13 Br Cu N4 O5 -","- C60 H52 Br4 Cu4 N16 O20 -","4","1","","Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui","Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand","Inorganica Chimica Acta","2022","529","","120634","","10.1016/j.ica.2021.120634","","","1.54178","CuKα","","0.0483","0.0353","","","0.0717","0.0778","","","","","","1.052","","","","has coordinates","272096","2022-01-18","09:00:33",""
"1566010","17.2783","0.0004","11.857","0.0003","17.5045","0.0003","90","","106.222","0.001","90","","3443.35","0.13","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cu N5 O8 -","- C15 H13 Cu N5 O8 -","- C120 H104 Cu8 N40 O64 -","8","2","","Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui","Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand","Inorganica Chimica Acta","2022","529","","120634","","10.1016/j.ica.2021.120634","","","0.71073","MoKα","","0.0694","0.0444","","","0.089","0.1028","","","","","","1.042","","","","has coordinates,has disorder","272096","2022-01-18","09:00:33",""
"1566011","13.8585","0.0012","8.0415","0.0008","17.6091","0.0012","90","","92.087","0.001","90","","1961.1","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br Cl2 Mo N2 O5 -","- C16 H13 Br Cl2 Mo N2 O5 -","- C64 H52 Br4 Cl8 Mo4 N8 O20 -","4","1","","Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei","Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics","Inorganica Chimica Acta","2022","529","","120643","","10.1016/j.ica.2021.120643","","","0.71073","MoKα","","0.054","0.0345","","","0.0751","0.0849","","","","","","1.034","","","","has coordinates","272097","2022-01-18","09:07:30",""
"1566012","7.6789","0.0008","16.0866","0.0017","16.4934","0.0018","90","","101.267","0.002","90","","1998.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Mo N2 O7 -","- C17 H16 Cl2 Mo N2 O7 -","- C68 H64 Cl8 Mo4 N8 O28 -","4","1","","Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei","Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics","Inorganica Chimica Acta","2022","529","","120643","","10.1016/j.ica.2021.120643","","","0.71073","MoKα","","0.0315","0.0249","","","0.06","0.0633","","","","","","1.057","","","","has coordinates","272097","2022-01-18","09:07:31",""
"1566013","13.9165","0.0011","8.1234","0.0006","17.7116","0.0012","90","","91.574","0.001","90","","2001.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 F3 Mo N2 O5 -","- C17 H13 Cl2 F3 Mo N2 O5 -","- C68 H52 Cl8 F12 Mo4 N8 O20 -","4","1","","Yang, Shuang; Li, Gong; Yang, Yujie; Zhu, Mengdi; Fu, Yuejiao; Xing, Na; Shi, Lei","Styrene selective oxidation to benzaldehyde catalyzed by acylhydrazone Mo complexes: Reaction parameter effects and kinetics","Inorganica Chimica Acta","2022","529","","120643","","10.1016/j.ica.2021.120643","","","0.71073","MoKα","","0.0412","0.0294","","","0.0733","0.0815","","","","","","1.027","","","","has coordinates","272097","2022-01-18","09:07:31",""
"1566014","21.6846","0.0007","14.7454","0.0005","20.9637","0.0007","90","","96.318","0.001","90","","6662.4","0.4","180","2","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H72 N8 O8 Zn2 -","- C76 H72 N8 O8 Zn2 -","- C304 H288 N32 O32 Zn8 -","4","1","","Niklas, J.E.; Hiti, E.A.; Wilkinson, G.R.; Mayhugh, J.T.; Gorden, J.D.; Gorden, A.E.V.","Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+","Inorganica Chimica Acta","2022","529","","120653","","10.1016/j.ica.2021.120653","","","0.71073","MoKα","","0.0529","0.0397","","","0.0912","0.107","","","","","","1.1202","","","","has coordinates","272098","2022-01-18","09:17:36",""
"1566015","24.2528","0.0002","24.2528","0.0002","27.6148","0.0007","90","","90","","90","","16243","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C152 H136 N16 O16 Zn4 -","- C152 H136 N16 O16 Zn4 -","- C608 H544 N64 O64 Zn16 -","4","0.25","","Niklas, J.E.; Hiti, E.A.; Wilkinson, G.R.; Mayhugh, J.T.; Gorden, J.D.; Gorden, A.E.V.","Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+","Inorganica Chimica Acta","2022","529","","120653","","10.1016/j.ica.2021.120653","","x-ray","1.54184","CuKα","","0.1071","0.0939","","","0.2964","0.3395","","","","","","1.4752","","","","has coordinates,has disorder","272098","2022-01-18","09:17:36",""
"1566016","10.1392","0.0007","11.9917","0.0008","14.7623","0.0009","90","","102.151","0.002","90","","1754.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cd N2 O9 -","- C16 H17 Cd N2 O9 -","- C64 H68 Cd4 N8 O36 -","4","1","","Yadav, Archana; Somnath,; Ahmad, Musheer; Ahmad Siddiqui, Kafeel","Luminescent properties of activated forms of rigid ligand Cd(II)-coordination polymers sustained by hydrogen bond","Inorganica Chimica Acta","2022","529","","120660","","10.1016/j.ica.2021.120660","","","0.71073","MoKα","","0.038","0.0275","","","0.057","0.0642","","","","","","1.0975","","","","has coordinates","272099","2022-01-18","09:40:16",""
"1566017","13.276","0.0009","11.7677","0.0008","19.5156","0.0014","90","","91.2","0.002","90","","3048.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd2 N4 O9 -","- C28 H30 Cd2 N4 O9 -","- C112 H120 Cd8 N16 O36 -","4","1","","Yadav, Archana; Somnath,; Ahmad, Musheer; Ahmad Siddiqui, Kafeel","Luminescent properties of activated forms of rigid ligand Cd(II)-coordination polymers sustained by hydrogen bond","Inorganica Chimica Acta","2022","529","","120660","","10.1016/j.ica.2021.120660","","","0.71073","MoKα","","0.0292","0.0243","","","0.0529","0.0562","","","","","","1.0925","","","","has coordinates","272099","2022-01-18","09:40:19",""
"1566018","19.9292","0.0005","12.4197","0.0003","16.6687","0.0004","90","","121.532","0.001","90","","3516.57","0.15","301.4","","301.4","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Mn3 N8 O14 -","- C30 H26 Mn3 N8 O14 -","- C120 H104 Mn12 N32 O56 -","4","0.5","","Cao, Yexia; Li, Huiqing; Yin, Aiping","A two-dimensional manganese coordination polymer: Crystal structure, proton conductivity and catalytic property","Inorganica Chimica Acta","2022","529","","120658","","10.1016/j.ica.2021.120658","","","0.71073","MoKα","","0.0227","0.0218","","","0.0591","0.0598","","","","","","1.058","","","","has coordinates","272100","2022-01-18","10:22:51",""
"1566019","7.3616","0.0003","9.0186","0.0003","11.5236","0.0005","73.4","0.003","88.075","0.002","73.363","0.002","701.52","0.05","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl4 Co2 N4 O8 -","- C20 H32 Cl4 Co2 N4 O8 -","- C20 H32 Cl4 Co2 N4 O8 -","1","0.5","","Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.","Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics","Inorganica Chimica Acta","2022","529","","120664","","10.1016/j.ica.2021.120664","","","0.71073","MoKα","","0.0447","0.0286","","","0.0513","0.0555","","","","","","1.065","","","","has coordinates","272101","2022-01-18","10:30:50",""
"1566020","10.0374","0.0004","13.0712","0.0005","10.6263","0.0005","90","","113.494","0.002","90","","1278.6","0.09","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl4 Cu2 N4 O6 -","- C20 H28 Cl4 Cu2 N4 O6 -","- C40 H56 Cl8 Cu4 N8 O12 -","2","0.5","","Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.","Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics","Inorganica Chimica Acta","2022","529","","120664","","10.1016/j.ica.2021.120664","","","0.71073","MoKα","","0.0327","0.0249","","","0.0538","0.0566","","","","","","1.042","","","","has coordinates","272101","2022-01-18","10:30:51",""
"1566021","14.659","0.002","9.0379","0.0015","8.452","0.0014","90","","112.93","0.002","90","","1031.3","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H24 Br2 Co N4 O2 -","- C20 H24 Br2 Co N4 O2 -","- C40 H48 Br4 Co2 N8 O4 -","2","0.5","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro","Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors","Inorganica Chimica Acta","2022","529","","120667","","10.1016/j.ica.2021.120667","","","0.71073","MoKα","","0.0511","0.0466","","","0.1125","0.1166","","","","","","1.113","","","","has coordinates,has disorder","272102","2022-01-18","10:37:12",""
"1566022","13.7553","0.0018","9.6308","0.0012","16.501","0.002","90","","106.159","0.002","90","","2099.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 Co N4 O2 -","- C20 H24 Cl2 Co N4 O2 -","- C80 H96 Cl8 Co4 N16 O8 -","4","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro","Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors","Inorganica Chimica Acta","2022","529","","120667","","10.1016/j.ica.2021.120667","","","0.71073","MoKα","","0.0567","0.0378","","","0.0819","0.0883","","","","","","1.023","","","","has coordinates","272102","2022-01-18","10:37:12",""
"1566023","14.564","0.002","9.4125","0.0014","8.5445","0.0013","90","","112.074","0.002","90","","1085.5","0.3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H24 Co I2 N4 O2 -","- C20 H24 Co I2 N4 O2 -","- C40 H48 Co2 I4 N8 O4 -","2","0.5","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro","Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors","Inorganica Chimica Acta","2022","529","","120667","","10.1016/j.ica.2021.120667","","","0.71073","MoKα","","0.044","0.0383","","","0.0775","0.0797","","","","","","1.009","","","","has coordinates","272102","2022-01-18","10:37:13",""
"1566024","25.3661","0.0009","25.3661","0.0009","17.425","0.0011","90","","90","","120","","9709.8","0.8","293","","293","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Cl2 N2 O4 Pd Se2 -","- C14 H12 Cl2 N2 O4 Pd Se2 -","- C252 H216 Cl36 N36 O72 Pd18 Se36 -","18","0.5","","Karmakar, Gourab; Tyagi, Adish; Kedarnath, G.; Naveen Kumar, N.; Phadnis, Prasad P.; Mishra, Ratikanta; Kumar, Mukesh","Preparation and characterization of colloidal Pd17Se15 nanoparticles from a novel Pd(II) pyridyl selenoether molecular precursor","Inorganica Chimica Acta","2022","529","","120668","","10.1016/j.ica.2021.120668","","x-ray","1.54184","CuKα","","0.1154","0.0867","","","0.2256","0.2493","","","","","","1.111","","","","has coordinates","272103","2022-01-18","10:40:21",""
"1566025","20.623","0.003","20.623","0.003","31.896","0.006","90","","90","","90","","13566","4","273.15","","273.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C45 H56 Cl3 Cr N20 O13 -","- C45 H56 Cl3 Cr N20 O13 -","- C360 H448 Cl24 Cr8 N160 O104 -","8","1","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.0816","0.0721","","","0.2032","0.2159","","","","","","1.038","","","","has coordinates,has disorder","272104","2022-01-18","10:48:38",""
"1566026","27.808","0.002","19.906","0.0017","13.3851","0.0011","90","","90","","90","","7409.3","1","273.15","","273.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C45 H58 Cl8 Co3 N20 O14 -","- C45 H58 Cl8 Co3 N20 O14 -","- C180 H232 Cl32 Co12 N80 O56 -","4","0.5","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.0536","0.0494","","","0.1401","0.1428","","","","","","1.037","","","","has coordinates,has disorder","272104","2022-01-18","10:48:41",""
"1566027","10.9075","0.0013","15.7904","0.0018","35.312","0.004","90","","93.228","0.003","90","","6072.3","1.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H64 Cl6 Hg2 N22 O13 -","- C45 H64 Cl6 Hg2 N22 O13 -","- C180 H256 Cl24 Hg8 N88 O52 -","4","1","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.1426","0.1102","","","0.2012","0.2141","","","","","","1.192","","","","has coordinates,has disorder","272104","2022-01-18","10:48:47",""
"1566028","27.305","0.004","14.774","0.002","33.7","0.005","90","","102.518","0.004","90","","13272","3","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H112 Cl8 N40 O55 Pb4 -","- C90 H112 Cl8 N40 O55 Pb4 -","- C360 H448 Cl32 N160 O220 Pb16 -","4","1","","Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua","Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes","Inorganica Chimica Acta","2022","529","","120669","","10.1016/j.ica.2021.120669","","","0.71073","MoKα","","0.1665","0.0803","","","0.1947","0.2213","","","","","","1.033","","","","has coordinates,has disorder","272104","2022-01-18","10:48:50",""
"1566029","9.17932","0.00018","13.979","0.0003","14.4063","0.0003","113.213","0.001","106.029","0.001","94.152","0.001","1598.14","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Fe2 N2 O7 P2 -","- C29 H36 Fe2 N2 O7 P2 -","- C58 H72 Fe4 N4 O14 P4 -","2","1","","van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J.","Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes","Chemical Science","2022","","","","","10.1039/D1SC05473B","","","0.71073","MoKα","","0.0298","0.024","","","0.0654","0.068","","","","","","1.038","","","","has coordinates","272109","2022-01-18","23:07:23",""
"1566030","24.953","0.0008","10.2928","0.0004","28.5081","0.0009","90","","106.275","0.001","90","","7028.5","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H43 Fe2 K N2 O6 P2 -","- C31 H43 Fe2 K N2 O6 P2 -","- C248 H344 Fe16 K8 N16 O48 P16 -","8","1","","van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J.","Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes","Chemical Science","2022","","","","","10.1039/D1SC05473B","","","0.71073","MoKα","","0.0481","0.034","","","0.0777","0.0827","","","","","","1.049","","","","has coordinates,has disorder","272109","2022-01-18","23:07:23",""
"1566031","9.2797","0.0004","23.4414","0.0012","16.6539","0.0008","90","","95.972","0.002","90","","3603","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Fe2 N2 O5 P2 -","- C36 H45 Fe2 N2 O5 P2 -","- C144 H180 Fe8 N8 O20 P8 -","4","1","","van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J.","Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes","Chemical Science","2022","","","","","10.1039/D1SC05473B","","","0.71073","MoKα","","0.0927","0.0494","","","0.0961","0.1087","","","","","","1.089","","","","has coordinates,has disorder","272109","2022-01-18","23:07:24",""
"1566032","8.9778","0.0005","14.3123","0.0007","17.4153","0.001","80.797","0.004","83.74","0.003","76.749","0.002","2144","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 Fe2 K N2 O9 P2 -","- C37 H51 Fe2 K N2 O9 P2 -","- C74 H102 Fe4 K2 N4 O18 P4 -","2","1","","van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J.","Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes","Chemical Science","2022","","","","","10.1039/D1SC05473B","","","0.71073","MoKα","","0.1328","0.0618","","","0.1337","0.1581","","","","","","1.036","","","","has coordinates","272109","2022-01-18","23:07:24",""
"1566033","10.34486","0.00014","10.19459","0.00012","12.07537","0.00018","90","","105.047","0.0015","90","","1229.82","0.03","303.37","0.1","303.37","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N O6 S -","- C25 H28 N O6 S -","- C50 H56 N2 O12 S2 -","2","1","","Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei","Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea","Chemical Science","2022","","","","","10.1039/D1SC06127E","","x-ray","1.54184","CuKα","","0.0386","0.0357","","","0.0976","0.1001","","","","","","1.065","","","","has coordinates,has disorder","272110","2022-01-18","23:08:23",""
"1566034","8.3138","0.0004","11.6736","0.0005","25.1152","0.001","90","","90","","90","","2437.48","0.18","291.9","0.1","291.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei","Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea","Chemical Science","2022","","","","","10.1039/D1SC06127E","","x-ray","1.54184","CuKα","","0.0478","0.0378","","","0.0912","0.1003","","","","","","1.021","","","","has coordinates,has disorder","272110","2022-01-18","23:08:23",""
"1566035","8.76363","0.00011","11.32074","0.00014","13.30299","0.00013","97.5","0.0009","93.5092","0.0009","110.66","0.0012","1216.15","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C52 H54 N2 O10 -","2","1","","Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei","Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea","Chemical Science","2022","","","","","10.1039/D1SC06127E","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1317","0.1406","","","","","","1.092","","","","has coordinates,has disorder","272110","2022-01-18","23:08:23",""
"1566036","9.9153","0.0008","9.376","0.0006","9.8044","0.0009","90","","118.365","0.003","90","","802.04","0.11","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca3 Cs2 O16 S4 -","- Ca3 Cs2 O16 S4 -","- Ca6 Cs4 O32 S8 -","2","0.5","","Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong","Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4","Crystals","2022","12","2","126","","10.3390/cryst12020126","","","0.71073","MoKα","","0.0521","0.0438","","","0.0832","0.0864","","","","","","1.246","","","","has coordinates","272126","2022-01-19","09:06:20",""
"1566045","7.4436","0.0003","16.0587","0.0006","38.2012","0.0018","90","","90","","90","","4566.4","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","2","","Volla, Chandra; Singh, Anurag; Shukla, Rahul Kumar","Rh(III)-Catalyzed [5+1] Annulation of 2-Alkenylanilides and 2-Alkenylphenols with Allenyl Acetates","Chemical Science","2022","","","","","10.1039/D1SC06097J","","x-ray","0.71073","MoKα","","0.1039","0.0655","","","0.1421","0.1966","","","","","","1.095","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566046","7.6588","0.0004","7.9714","0.0003","12.8907","0.0005","99.211","0.003","90.731","0.004","99.142","0.004","766.39","0.06","170","","170","","","","","","","","","5","P 1","P 1","1","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C32 H38 N2 O6 S2 -","2","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0718","0.0487","","0.1129","0.0989","0.1129","","","","","","0.958","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566047","12.2921","0.0005","7.393","0.0003","15.8524","0.0005","90","","103.199","0.004","90","","1402.54","0.09","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C56 H80 O12 S4 -","4","1","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0548","0.0385","","0.0962","0.0884","0.0962","","","","","","0.9736","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566048","23.8127","0.0009","5.6108","0.0002","24.8367","0.001","90","","90.39","0.003","90","","3318.3","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C152 H160 O24 S8 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0793","0.0494","","0.104","0.0937","0.104","","","","","","1.0006","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566049","11.6377","0.0004","19.035","0.0007","18.0198","0.0007","90","","107.936","0.004","90","","3797.8","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C160 H216 N8 O40 -","8","2","","Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.","Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade","Chemical Science","2022","13","5","1504","1511","10.1039/D1SC06900D","","","0.71073","MoKα","","0.0819","0.0508","","0.1517","0.1281","0.1517","","","","","","0.9801","","","","has coordinates","272575","2022-02-04","19:11:33",""
"1566050","15.3166","0.0014","21.618","0.002","10.8184","0.0011","90","","110.121","0.004","90","","3363.5","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Cl3 Er F3 N3 O7 -","- C36 H22 Cl3 Er F3 N3 O7 -","- C144 H88 Cl12 Er4 F12 N12 O28 -","4","1","","Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun","Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine","Journal of Solid State Chemistry","2022","305","","122633","","10.1016/j.jssc.2021.122633","","","0.71073","MoKα","","0.0967","0.057","","","0.1349","0.1518","","","","","","1.046","","","","has coordinates","272150","2022-01-20","08:27:18",""
"1566051","11.08","0.0012","13.9401","0.0014","14.1602","0.0015","76.98","0.002","89.35","0.003","68.201","0.001","1972.2","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H22 Cl3 F3 N3 O7 Tb -","- C36 H22 Cl3 F3 N3 O7 Tb -","- C72 H44 Cl6 F6 N6 O14 Tb2 -","2","1","","Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun","Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine","Journal of Solid State Chemistry","2022","305","","122633","","10.1016/j.jssc.2021.122633","","","0.71073","MoKα","","0.1264","0.1031","","","0.2492","0.2646","","","","","","1.061","","","","has coordinates","272150","2022-01-20","08:27:19",""
"1566052","11.0096","0.0011","13.9555","0.0012","14.0144","0.0013","76.979","0.002","89.351","0.003","68.06","0.001","1939.6","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H22 Cl3 Eu F3 N3 O7 -","- C36 H22 Cl3 Eu F3 N3 O7 -","- C72 H44 Cl6 Eu2 F6 N6 O14 -","2","1","","Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun","Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine","Journal of Solid State Chemistry","2022","305","","122633","","10.1016/j.jssc.2021.122633","","","0.71073","MoKα","","0.1126","0.0977","","","0.2537","0.2692","","","","","","1.097","","","","has coordinates","272150","2022-01-20","08:27:20",""
"1566053","15.3568","0.0014","21.6318","0.0019","10.8179","0.0009","90","","110.096","0.004","90","","3374.9","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Cl3 F3 Ho N3 O7 -","- C36 H22 Cl3 F3 Ho N3 O7 -","- C144 H88 Cl12 F12 Ho4 N12 O28 -","4","1","","Geng, Shuo; Ren, Ning; Zhang, Ying-Ying; Tang, Kun; Zhang, Jian-Jun","Studies on preparation, crystal structure, thermal properties and fluorescence properties of rare earth complexes composed of 2-chloro-4-fluorobenzoic acid and 2,2':6′,2″-terpyridine","Journal of Solid State Chemistry","2022","305","","122633","","10.1016/j.jssc.2021.122633","","","0.71073","MoKα","","0.0877","0.0517","","","0.1187","0.1337","","","","","","1.043","","","","has coordinates","272150","2022-01-20","08:27:20",""
"1566054","28.03","0.02","16.636","0.015","17.048","0.015","90","","105.95","0.016","90","","7644","11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Co4 N3 O24 -","- C45 H35 Co4 N3 O24 -","- C180 H140 Co16 N12 O96 -","4","1","","Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei","Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties","Journal of Solid State Chemistry","2022","305","","122629","","10.1016/j.jssc.2021.122629","","","0.71073","MoKα","","0.1374","0.103","","","0.2857","0.3181","","","","","","1.029","","","","has coordinates,has disorder","272151","2022-01-20","08:38:34",""
"1566055","29.348","0.003","30.145","0.003","18.0453","0.0019","90","","90","","90","","15965","3","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C127 H63.95 Co12 N6 O60 -","- C127.002 H64.074 Co12 N6 O60 -","- C254.004 H128.148 Co24 N12 O120 -","2","0.25","","Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei","Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties","Journal of Solid State Chemistry","2022","305","","122629","","10.1016/j.jssc.2021.122629","","","0.71073","MoKα","","0.1295","0.0828","","","0.2126","0.2344","","","","","","0.95","","","","has coordinates,has disorder","272151","2022-01-20","08:38:35",""
"1566056","22.4661","0.0006","7.4237","0.0002","24.5482","0.0006","90","","114.956","0.003","90","","3711.92","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Co N2 O16 -","- C40 H31 Co N2 O16 -","- C160 H124 Co4 N8 O64 -","4","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks","Journal of Solid State Chemistry","2022","305","","122672","","10.1016/j.jssc.2021.122672","","","1.54184","CuKα","","0.1058","0.0872","","","0.2783","0.2989","","","","","","1.197","","","","has coordinates","272152","2022-01-20","09:06:56",""
"1566057","27.1599","0.001","26.0222","0.0008","6.0047","0.0002","90","","90","","90","","4243.9","0.2","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H12 Co N Na O7 -","- C20 H12 Co N Na O7 -","- C160 H96 Co8 N8 Na8 O56 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks","Journal of Solid State Chemistry","2022","305","","122672","","10.1016/j.jssc.2021.122672","","","1.54184","CuKα","","0.0774","0.071","","","0.2345","0.2414","","","","","","1.139","","","","has coordinates","272152","2022-01-20","09:07:04",""
"1566058","27.0821","0.0004","25.8325","0.0004","5.97853","0.00009","90","","90","","90","","4182.57","0.11","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C20 H12 N Na Ni O7 -","- C20 H12 N Na Ni O7 -","- C160 H96 N8 Na8 Ni8 O56 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks","Journal of Solid State Chemistry","2022","305","","122672","","10.1016/j.jssc.2021.122672","","","1.54184","CuKα","","0.0314","0.0304","","","0.0884","0.0893","","","","","","1.119","","","","has coordinates","272152","2022-01-20","09:07:05",""
"1566059","4.9323","0.0001","9.2826","0.0002","8.8","0.0002","90","","90.075","0.002","90","","402.904","0.015","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu F O4 P Pb -","- Cu F O4 P Pb -","- Cu4 F4 O16 P4 Pb4 -","4","1","","Long, Jingwen; Huang, Xing; Cui, Meiyan; Zhao, Zhiying; He, Zhangzhen","Synthesis, structure and magnetic behaviors of a new fluorophosphate PbCuPO4F","Journal of Solid State Chemistry","2022","305","","122666","","10.1016/j.jssc.2021.122666","","x-ray","0.71073","MoKα","","0.0365","0.0364","","","0.0778","0.0778","","","","","","1.248","","","","has coordinates","272153","2022-01-20","09:41:20",""
"1566060","13.12051","0.00019","3.98623","0.00004","14.6231","0.0002","90","","116.278","0.0018","90","","685.769","0.019","296.2","0.5","296.2","0.5","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi2.02 Cd0.98 S4 -","- Bi2.0235 Cd0.9765 S4 -","- Bi8.094 Cd3.906 S16 -","4","0.5","","Matyszczak, Grzegorz; Sutuła, Szymon; Krawczyk, Krzysztof; Woźniak, Krzysztof","Experimental and theoretical study of crystal structure and bandgap of CdBi2S4","Journal of Solid State Chemistry","2022","305","","122695","","10.1016/j.jssc.2021.122695","","x-ray","0.71073","MoKα","","0.03","0.0292","","","0.0717","0.0723","","","","","","1.165","","","","has coordinates,has disorder","272154","2022-01-20","09:46:24",""
"1566061","6.7918","0.0006","10.8202","0.0008","13.232","0.001","90","","104.493","0.003","90","","941.46","0.13","150","2","149.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cu N6 O6 -","- C18 H16 Cu N6 O6 -","- C36 H32 Cu2 N12 O12 -","2","0.5","","Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang","Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies","Journal of Solid State Chemistry","2022","305","","122707","","10.1016/j.jssc.2021.122707","","","0.71073","MoKα","","0.0548","0.0433","","","0.1278","0.138","","","","","","1.068","","","","has coordinates","272155","2022-01-20","09:57:58",""
"1566062","11.9796","0.0012","10.0261","0.001","16.1223","0.0018","90","","95.807","0.003","90","","1926.5","0.3","150","2","150.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","1","","Ji, Xiaoxi; Zhu, Xiaopeng; Chen, Shiyu; Song, Dongxue; Wu, Shuangyan; Zhang, Ying; Gao, Enjun; Xu, Jin; Zhu, Mingchang","Two Cu(II) and Zn(II) complexes derived from 5-(Pyrazol-1-yl)nicotinic acid: Crystal structure, DNA binding and anticancer studies","Journal of Solid State Chemistry","2022","305","","122707","","10.1016/j.jssc.2021.122707","","","0.71073","MoKα","","0.066","0.0394","","","0.0832","0.0946","","","","","","1.017","","","","has coordinates","272155","2022-01-20","09:57:59",""
"1566063","9.102","0.0009","9.102","0.0009","24.6","0.002","90","","90","","90","","2038","0.3","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H17 N3 O4 Zn -","- C20 H17 N3 O4 Zn -","- C80 H68 N12 O16 Zn4 -","4","1","","Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna","One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers","Journal of Solid State Chemistry","2022","305","","122705","","10.1016/j.jssc.2021.122705","","","0.71073","MoKα","","0.1556","0.0968","","","0.2219","0.2461","","","","","","1.129","","","","has coordinates","272156","2022-01-20","10:03:51",""
"1566064","8.4412","0.0007","10.0314","0.0009","12.6984","0.0011","97.041","0.002","109.067","0.004","102.585","0.003","969.73","0.15","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 Zn -","- C20 H18 N2 O5 Zn -","- C40 H36 N4 O10 Zn2 -","2","1","","Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna","One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers","Journal of Solid State Chemistry","2022","305","","122705","","10.1016/j.jssc.2021.122705","","","0.71073","MoKα","","0.0498","0.0419","","","0.1081","0.1126","","","","","","1.093","","","","has coordinates,has disorder","272156","2022-01-20","10:03:51",""
"1566065","7.3742","0.0002","10.054","0.0002","10.7563","0.0002","105.577","0.002","91.084","0.002","102.676","0.002","746.88","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42.63 N8 O19.32 Zn2 -","- C16 H42.6288 N8 O19.3144 Zn2 -","- C16 H42.6288 N8 O19.3144 Zn2 -","1","0.5","","Case, Derek R.; Brennessel, William W.; Zubieta, Jon; Doyle, Robert P.","Synthesis, characterization and crystal structure of a glycylglycinate chelate of zinc(II)","Results in Chemistry","2022","4","","100274","","10.1016/j.rechem.2021.100274","","x-ray","1.54184","CuKα","","0.0488","0.0443","","","0.1192","0.1222","","","","","","1.11","","","","has coordinates,has disorder","272157","2022-01-20","10:36:34",""
"1566071","15.4761","0.0018","32.994","0.003","18.061","0.0018","90","","87","","90","","9209.6","1.6","180","2","180.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 B N3 -","- C51 H54 B N3 -","- C408 H432 B8 N24 -","8","1","","Meng, Guoyun; Liu, Lijie; He, Zhechang; Hall, David; Wang, Xiang; Peng, Tai; Yin, Xiaodong; Chen, Pangkuan; Beljonne, David; Olivier, Yoann; Zysman-Colman, Eli; Wang, Nan; Wang, Suning","Multi-resonant thermally activated delayed fluorescence emitters based on tetracoordinate boron-containing PAHs: colour tuning based on the nature of chelates","Chemical Science","2022","","","","","10.1039/D1SC05692A","","","0.71073","MoKα","","0.1417","0.0697","","","0.1644","0.1838","","","","","","0.921","","","","has coordinates,has disorder","272164","2022-01-20","23:06:54",""
"1566072","11.2074","0.0008","13.1456","0.0009","15.4247","0.0012","72.412","0.003","80.497","0.003","85.153","0.003","2135.1","0.3","180","2","180","","","","","","","","","5","P -1","-P 1","2","","BN3","","- C52 H54 B Cl2 N3 -","- C52 H54 B Cl2 N3 -","- C104 H108 B2 Cl4 N6 -","2","1","","Meng, Guoyun; Liu, Lijie; He, Zhechang; Hall, David; Wang, Xiang; Peng, Tai; Yin, Xiaodong; Chen, Pangkuan; Beljonne, David; Olivier, Yoann; Zysman-Colman, Eli; Wang, Nan; Wang, Suning","Multi-resonant thermally activated delayed fluorescence emitters based on tetracoordinate boron-containing PAHs: colour tuning based on the nature of chelates","Chemical Science","2022","","","","","10.1039/D1SC05692A","","","0.71073","MoKα","","0.0844","0.0529","","","0.1267","0.1422","","","","","","1.044","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1566073","21.2609","0.0008","17.4543","0.0008","7.089","0.0003","90","","90","","90","","2630.69","0.19","100","0.5","100","0.5","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C37 H24 S2 -","- C37 H24 S2 -","- C148 H96 S8 -","4","0.5","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","0.71073","MoKα","","0.0631","0.0424","","","0.1139","0.1265","","","","","","1.101","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1566074","16.7069","0.0004","15.0274","0.0003","16.9838","0.0003","90","","90.962","0.002","90","","4263.37","0.15","100.1","0.6","100.1","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H118 Au4 Cl4 P4 -","- C88 H118 Au4 Cl4 P4 -","- C176 H236 Au8 Cl8 P8 -","2","0.5","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","1.54184","CuKα","","0.0672","0.0539","","","0.141","0.1507","","","","","","1.027","","","","has coordinates,has disorder","272165","2022-01-20","23:09:15",""
"1566075","18.1646","0.0004","6.4798","0.0001","25.8994","0.0005","90","","107.36","0.002","90","","2909.58","0.1","99.9","0.5","99.9","0.5","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C68 H44 -","- C68 H44 -","- C136 H88 -","2","0.5","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","1.54184","CuKα","","0.0517","0.0458","","","0.1237","0.1285","","","","","","1.058","","","","has coordinates","272165","2022-01-20","23:09:15",""
"1566076","22.7656","0.001","5.8183","0.0002","26.2196","0.0012","90","","111.135","0.005","90","","3239.4","0.3","99.8","0.6","99.8","0.6","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 S2 -","- C45 H28 S2 -","- C180 H112 S8 -","4","1","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","1.54184","CuKα","","0.0937","0.0813","","","0.1978","0.2039","","","","","","1.084","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1566077","11.972","0.0002","21.5606","0.0004","15.2604","0.0003","90","","100.313","0.002","90","","3875.43","0.13","99.8","0.7","99.8","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C130 H44 S4 -","- C130 H44 S4 -","- C260 H88 S8 -","2","0.5","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","1.54184","CuKα","","0.0617","0.0485","","","0.1184","0.1261","","","","","","1.039","","","","has coordinates","272165","2022-01-20","23:09:15",""
"1566078","10.8159","0.0002","18.1529","0.0004","25.9016","0.0005","74.817","0.002","83.098","0.002","82.344","0.002","4844.88","0.18","100","0.6","100","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C123 H80 S6 -","- C123 H80 S6 -","- C246 H160 S12 -","2","1","","Chen, Xuan-Wen; Chu, Ke-Shan; Wei, Rong-Jing; Qiu, Zhen-Lin; Tang, Chun; Tan, Yuan-Zhi","Phenylene segments of zigzag carbon nanotubes synthesized by metal-mediated dimerization","Chemical Science","2022","","","","","10.1039/D1SC05459G","","x-ray","1.54184","CuKα","","0.0753","0.0623","","","0.1688","0.18","","","","","","1.055","","","","has coordinates","272165","2022-01-20","23:09:15",""
"1566079","39.352","0.005","14.1869","0.0016","22.175","0.002","90","","96.411","0.006","90","","12303","2","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dimer 5,6-membered palladacycle","","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C54.5 H65 Cl5 N12 O8 Pd4 -","- C436 H520 Cl40 N96 O64 Pd32 -","8","1","","Zhang, Shuaizhong; Zhang, Jinquan; Zou, Hongbin","C(sp3)–H oxygenation via alkoxypalladium(ii) species: an update for the mechanism","Chemical Science","2022","13","5","1298","1306","10.1039/D1SC06907A","","","0.71073","MoKα","","0.029","0.0242","","","0.0574","0.0596","","","","","","1.031","","","","has coordinates,has disorder","272571","2022-02-04","19:10:52",""
"1566080","13.1007","0.0006","11.6128","0.0005","20.0929","0.0008","90","","90","","90","","3056.8","0.2","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium cobalt(II) dicyanamide","[TPnA][Fe(Dca)3]","","- C26 H44 Fe N10 -","- C26 H44 Fe N10 -","- C104 H176 Fe4 N40 -","4","0.5","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","x-ray","1.54184","CuKα","","0.0525","0.0413","","","0.109","0.1174","","","","","","1.056","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1566081","13.066","0.002","11.6026","0.0019","19.926","0.004","90","","90","","90","","3020.8","0.9","293","2","293","2","","","","","","","","4","P n n a","-P 2a 2bc","52","Tetrapentylammonium cobalt(II) dicyanamide","[TPnA][Co(Dca)3]","","- C26 H44 Co N10 -","- C26 H42.428 Co N10 -","- C104 H169.712 Co4 N40 -","4","0.5","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","x-ray","1.54184","CuKα","","0.1077","0.0624","","","0.1857","0.2124","","","","","","1.071","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1566082","15.7659","0.0006","15.7712","0.0005","21.2815","0.0007","90","","90","","90","","5291.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21.99 H35.67 Co N10 -","- C21.9867 H35.665 Co N10.0016 -","- C175.893 H285.32 Co8 N80.0132 -","8","2","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","","1.54178","CuKα","","0.1507","0.1093","","","0.2309","0.2542","","","","","","1.039","","","","has coordinates,has disorder","272167","2022-01-20","23:12:47",""
"1566083","15.7971","0.0007","15.8093","0.0009","21.4138","0.0011","90","","90","","90","","5347.9","0.5","240","","240","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22.01 H35.86 Fe N10 -","- C22.0066 H35.8681 Fe N10 -","- C176.053 H286.945 Fe8 N80 -","8","2","","Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole","Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures","Chemical Science","2022","","","","","10.1039/D1SC07080K","","","1.54178","CuKα","","0.1405","0.1063","","","0.2999","0.3279","","","","","","1.048","","","","has coordinates,has disorder","272167","2022-01-20","23:12:47",""
"1566090","14.06525","0.00017","25.1567","0.0004","13.9309","0.0002","90","","100.051","0.0014","90","","4853.59","0.12","160","1","160","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N4 O5 P Ru -","- C21 H16 Cl N4 O5 P Ru -","- C168 H128 Cl8 N32 O40 P8 Ru8 -","8","1","","Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David","Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst","Catalysis Science & Technology","2022","12","5","1512","1519","10.1039/D1CY01999F","","x-ray","1.54184","CuKα","","0.0623","0.0518","","","0.1359","0.1444","","","","","","1.043","","","","has coordinates","274939","2022-05-05","20:18:05",""
"1566091","11.8862","0.0008","12.1596","0.0008","13.5975","0.0009","115.605","0.001","90.781","0.001","98.587","0.001","1745.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 B N7 O4 Zn -","- C39 H34 B N7 O4 Zn -","- C78 H68 B2 N14 O8 Zn2 -","2","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","","0.71073","MoKα","","0.0295","0.0279","","","0.0724","0.0735","","","","","","1.06","","","","has coordinates","272194","2022-01-21","23:08:06",""
"1566092","11.4421","0.0007","22.4577","0.0012","13.4441","0.0009","90","","96.516","0.002","90","","3432.3","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 B N8 O Zn -","- C40 H35 B N8 O Zn -","- C160 H140 B4 N32 O4 Zn4 -","4","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","","0.71073","MoKα","","0.0608","0.0409","","","0.0878","0.0954","","","","","","1.038","","","","has coordinates","272194","2022-01-21","23:08:07",""
"1566093","11.4528","0.0007","11.6697","0.0006","13.8501","0.0007","80.236","0.002","88.814","0.002","73.751","0.002","1750.69","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 B N9 O2 Zn -","- C39 H36 B N9 O2 Zn -","- C78 H72 B2 N18 O4 Zn2 -","2","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","","0.0503","0.0354","","","0.0725","0.0803","","","","","","1.034","","","","has coordinates","272194","2022-01-21","23:08:07",""
"1566094","11.6546","0.0009","14.6697","0.0011","21.3858","0.0017","90","","97.912","0.003","90","","3621.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.62 H37.25 B N7 O4 Zn -","- C40.622 H37.247 B N7 O4 Zn -","- C162.488 H148.988 B4 N28 O16 Zn4 -","4","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","","1.54178","CuKα","","0.0478","0.0418","","","0.1122","0.1168","","","","","","1.087","","","","has coordinates,has disorder","272194","2022-01-21","23:08:07",""
"1566095","17.7615","0.0005","17.8877","0.0006","21.437","0.0007","90","","90","","90","","6810.8","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 B N8 O2 Zn -","- C39 H35 B N8 O2 Zn -","- C312 H280 B8 N64 O16 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.0377","0.0314","","","0.0807","0.0848","","","","","","1.045","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566096","11.9864","0.0016","16.941","0.002","18.04","0.002","90","","90","","90","","3663.2","0.8","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H38 B N7 O4 S Zn -","- C39 H38 B N7 O4 S Zn -","- C156 H152 B4 N28 O16 S4 Zn4 -","4","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.0681","0.0431","","","0.1068","0.1278","","","","","","0.76","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566097","12.4046","0.0017","12.5836","0.0017","14.653","0.002","88.179","0.005","66.003","0.004","74.862","0.004","2009.9","0.5","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 B N10 O2 Zn -","- C44 H41 B N10 O2 Zn -","- C88 H82 B2 N20 O4 Zn2 -","2","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","","0.71073","MoKα","","0.0396","0.0314","","","0.081","0.0854","","","","","","1.046","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566098","12.7201","0.0005","22.4184","0.0009","13.4325","0.0005","90","","110.416","0.001","90","","3589.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 B N8 O2.29 Zn -","- C40 H37.536 B N8 O2.268 Zn -","- C160 H150.144 B4 N32 O9.072 Zn4 -","4","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","","0.0611","0.0462","","","0.0941","0.1011","","","","","","1.084","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566099","24.7054","0.0013","12.3535","0.0007","25.1484","0.0014","90","","107.246","0.001","90","","7330.2","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 B N9 O2 Zn -","- C38 H34 B N9 O2 Zn -","- C304 H272 B8 N72 O16 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.048","0.0393","","","0.0915","0.0971","","","","","","1.037","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566100","9.78","0.002","17.966","0.004","23.194","0.005","87.678","0.003","87.319","0.003","84.581","0.003","4050","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 B N7 O4 S Zn -","- C38 H36 B N7 O4 S Zn -","- C152 H144 B4 N28 O16 S4 Zn4 -","4","2","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.1103","0.076","","","0.1697","0.1829","","","","","","1.097","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566101","24.917","0.001","12.6257","0.0007","27.9346","0.0011","90","","100.367","0.001","90","","8644.6","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44.58 H43.62 B N8 O4 S Zn -","- C44.578 H43.62 B N8 O4 S Zn -","- C356.624 H348.96 B8 N64 O32 S8 Zn8 -","8","2","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","","0.71073","MoKα","","0.0717","0.0449","","","0.0958","0.1089","","","","","","1.023","","","","has coordinates,has disorder","272194","2022-01-21","23:08:08",""
"1566102","16.4658","0.0006","22.9868","0.001","23.1548","0.0009","90","","90","","90","","8764","0.6","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H36 B N7 O S Zn -","- C43 H36 B N7 O S Zn -","- C344 H288 B8 N56 O8 S8 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","","0.062","0.0389","","","0.0906","0.1076","","","","","","1.06","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566103","46.413","0.011","27.613","0.007","47.653","0.01","90","","108.954","0.004","90","","57761","2","120.01","","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C720 H1080 Ag296 Cl112 F72 Sb12 -","- C720 H1080 Ag296 Cl112 F72 Sb12 -","- C1440 H2160 Ag592 Cl224 F144 Sb24 -","2","0.5","","Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong","A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells.","Nanoscale","2022","14","5","1971","1977","10.1039/d1nr07170j","","","0.71073","MoKα","","0.182","0.1083","","","0.2814","0.32","","","","","","1.053","","","","has coordinates,has disorder","272708","2022-02-04","19:52:30",""
"1566104","46.413","0.011","27.613","0.007","47.653","0.01","90","","108.954","0.004","90","","57761","2","120.01","","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C720 H1080 Ag296 F72 S112 Sb12 -","- C720 H1080 Ag296 F72 S112 Sb12 -","- C1440 H2160 Ag592 F144 S224 Sb24 -","2","0.5","","Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong","A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells.","Nanoscale","2022","14","5","1971","1977","10.1039/d1nr07170j","","","0.71073","MoKα","","0.1822","0.1085","","","0.2813","0.3201","","","","","","1.048","","","","has coordinates,has disorder","272708","2022-02-04","19:52:30",""
"1566105","8.6344","0.0001","13.5463","0.0002","16.9157","0.0002","90","","90","","90","","1978.53","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 B O3 -","- C22 H27 B O3 -","- C88 H108 B4 O12 -","4","1","","Wu, Yuanqi; Wu, Lizuo; Zhang, Zhanming; Xu, Bing; Liu, Yu; Zhang, Junliang","Enantioselective Difunctionalization of Alkenes by a Palladium-Catalyzed Heck/Borylation Sequence","Chemical Science","2022","","","","","10.1039/D1SC06229H","","","1.54184","CuKα","","0.0369","0.0367","","","0.0885","0.0887","","","","","","1.031","","","","has coordinates","272206","2022-01-22","23:04:48",""
"1566111","23.7065","0.0016","37.202","0.003","39.448","0.003","90","","90.029","0.002","90","","34790","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C132 H180 Ce4 Cs4 N16 O16 -","- C132 H180 Ce4 Cs4 N16 O16 -","- C1056 H1440 Ce32 Cs32 N128 O128 -","8","2","","Moreau, Liane M.; Lapsheva, Ekaterina; Amaro-Estrada, Jorge I.; Gau, Michael R.; Carroll, Patrick J.; Manor, Brian C.; Qiao, Yusen; Yang, Qiaomu; Lukens, Wayne W.; Sokaras, Dimosthenis; Schelter, Eric J.; Maron, Laurent; Booth, Corwin H.","Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes","Chemical Science","2022","","","","","10.1039/D1SC06623D","","","0.71073","MoKα","","0.1634","0.0746","","","0.1539","0.2004","","","","","","1.032","","","","has coordinates","272213","2022-01-24","23:09:08",""
"1566112","18.7496","0.0015","19.4808","0.0015","25.7609","0.0018","75.817","0.004","71.717","0.004","70.697","0.004","8326.6","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C156 H228 Ce4 K4 N16 O22 -","- C156 H228 Ce4 K4 N16 O22 -","- C312 H456 Ce8 K8 N32 O44 -","2","1","","Moreau, Liane M.; Lapsheva, Ekaterina; Amaro-Estrada, Jorge I.; Gau, Michael R.; Carroll, Patrick J.; Manor, Brian C.; Qiao, Yusen; Yang, Qiaomu; Lukens, Wayne W.; Sokaras, Dimosthenis; Schelter, Eric J.; Maron, Laurent; Booth, Corwin H.","Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes","Chemical Science","2022","","","","","10.1039/D1SC06623D","","","0.71073","MoKα","","0.0539","0.0344","","","0.0792","0.0917","","","","","","1.038","","","","has coordinates,has disorder","272213","2022-01-24","23:09:09",""
"1566113","13.3376","0.00016","15.8984","0.00019","16.7118","0.0002","86.2207","0.001","87.3777","0.001","69.0861","0.0011","3302.08","0.07","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H67 N2 O -","- C75 H65 N2 O -","- C150 H130 N4 O2 -","2","1","","Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli","Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.","Materials horizons","2022","9","3","1068","1080","10.1039/d1mh01383a","","","1.54184","CuKα","","0.1545","0.151","","","0.5146","0.5275","","","","","","2.941","","","","has coordinates","275078","2022-05-05","20:58:09",""
"1566114","8.24799","0.00012","14.1901","0.00018","28.3417","0.0004","90","","90.5962","0.0013","90","","3316.93","0.08","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H41 N -","- C45 H41 N -","- C180 H164 N4 -","4","1","","Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli","Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.","Materials horizons","2022","9","3","1068","1080","10.1039/d1mh01383a","","","1.54184","CuKα","","0.0463","0.0424","","","0.1157","0.1187","","","","","","0.996","","","","has coordinates","275078","2022-05-05","20:58:10",""
"1566124","9.4746","0.0003","12.0701","0.0004","30.0751","0.0011","90","","90","","90","","3439.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C152 H184 N8 O16 -","8","2","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0268","0.0266","","","0.0672","0.0674","","","","","","1.051","","","","has coordinates,has disorder","272227","2022-01-25","23:08:22",""
"1566125","5.8465","0.0001","16.2467","0.0004","17.6742","0.0004","90","","90","","90","","1678.81","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0243","0.0242","","","0.0624","0.0624","","","","","","1.084","","","","has coordinates,has disorder","272227","2022-01-25","23:08:23",""
"1566126","5.827","0.0003","16.246","0.0007","16.8144","0.0008","90","","90","","90","","1591.74","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0263","0.0261","","","0.0655","0.0656","","","","","","1.098","","","","has coordinates","272227","2022-01-25","23:08:23",""
"1566127","17.6182","0.0008","9.1333","0.0004","9.4921","0.0004","90","","96.532","0.002","90","","1517.48","0.12","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Mn1.25 O5 P -","- H2 Mn1.25 O5 P -","- H32 Mn20 O80 P16 -","16","2","","Deng, Mingxia; Liu, Weijing; Liu, Qian; Sun, Du; Huang, Fuqiang","A new compound Mn5P4O20H8 achieving efficient heavy metal removal to the ppb level through a dual chemisorption–ion exchange pathway","Environmental Science: Nano","2022","9","3","1146","1155","10.1039/D1EN00928A","","","0.71073","MoKα","","0.0235","0.0214","","","0.0591","0.0603","","","","","","1.003","","","","has coordinates","275079","2022-05-05","20:58:24",""
"1566147","10.4645","0.0002","12.4559","0.0002","12.5578","0.0002","107.272","0.001","102.991","0.001","90.239","0.001","1518.6","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O2 -","- C40 H38 N2 O2 -","- C80 H76 N4 O4 -","2","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.0601","0.0517","","","0.142","0.1503","","","","","","1.061","","","","has coordinates,has disorder","272257","2022-01-26","23:11:31",""
"1566148","5.8886","0.0005","10.0297","0.0009","13.4799","0.0011","102.666","0.007","94.86","0.007","105.758","0.007","738.69","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C38 H32 Cl2 N2 O2 -","2","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.1006","0.0687","","","0.1705","0.1895","","","","","","1.047","","","","has coordinates","272257","2022-01-26","23:11:32",""
"1566149","19.6653","0.0002","10.33692","0.0001","28.5425","0.0003","90","","90","","90","","5802.08","0.1","220","2","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C304 H272 N16 O16 -","8","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.0449","0.0364","","","0.0862","0.0918","","","","","","1.039","","","","has coordinates,has disorder","272257","2022-01-26","23:11:32",""
"1566150","10.9885","0.0003","13.562","0.0003","14.3897","0.0003","82.728","0.002","69.086","0.001","80.532","0.002","1970.5","0.08","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 N2 O2 -","- C48 H54 N2 O2 -","- C96 H108 N4 O4 -","2","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.0846","0.0688","","","0.1912","0.2119","","","","","","1.056","","","","has coordinates,has disorder","272257","2022-01-26","23:11:33",""
"1566151","16.6843","0.0011","10.1022","0.0008","17.8126","0.001","90","","90","","90","","3002.3","0.4","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Br N3 -","- C29 H49 B Br N3 -","- C116 H196 B4 Br4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0412","0.0365","","","0.094","0.1008","","","","","","1.055","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566152","16.7035","0.001","10.08","0.0006","17.6907","0.0007","90","","90","","90","","2978.6","0.3","173","0.1","173","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H49 B Cl N3 -","- C29 H49 B Cl N3 -","- C116 H196 B4 Cl4 N12 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0746","0.0594","","","0.1394","0.1488","","","","","","1.028","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566153","18.3035","0.0004","18.6688","0.0005","41.8373","0.0008","90","","90","","90","","14296","0.6","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Al B Br3 N6 -","- C29 H49 Al B Br3 N6 -","- C464 H784 Al16 B16 Br48 N96 -","16","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0892","0.0688","","","0.1875","0.2106","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566154","9.5926","0.0002","18.3489","0.0005","22.4133","0.0007","109.017","0.003","98.006","0.002","96.256","0.002","3642.84","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H98 Al2 B2 Br8 N6 -","- C58 H98 Al2 B2 Br8 N6 -","- C116 H196 Al4 B4 Br16 N12 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0821","0.0619","","","0.171","0.19","","","","","","1.06","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566155","9.7709","0.0003","20.3965","0.0005","21.6332","0.0007","91.982","0.002","100.812","0.003","98.869","0.002","4175.2","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H57 Al B Br4 N3 -","- C35 H57 Al B Br4 N3 -","- C140 H228 Al4 B4 Br16 N12 -","4","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.071","0.052","","","0.1293","0.1452","","","","","","1.044","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566156","10.2658","0.0005","15.817","0.0009","15.9702","0.0011","65.411","0.006","78.295","0.005","80.201","0.004","2298.2","0.3","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H61 Al B Br4 N3 -","- C41 H61 Al B Br4 N3 -","- C82 H122 Al2 B2 Br8 N6 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0653","0.0532","","","0.1246","0.1307","","","","","","1.053","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566157","11.9613","0.0004","13.4134","0.0006","15.2453","0.0006","109.98","0.004","104.192","0.003","102.755","0.003","2100.41","0.17","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H59 Al B Br4 N5 Si -","- C33 H59 Al B Br4 N5 Si -","- C66 H118 Al2 B2 Br8 N10 Si2 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0485","0.0397","","","0.109","0.1148","","","","","","1.049","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566158","11.781","0.00019","15.9628","0.0003","41.3531","0.0007","90","","93.4263","0.0016","90","","7762.9","0.2","173","2","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H52 Al B Br4 N4 -","- C31 H52 Al B Br4 N4 -","- C248 H416 Al8 B8 Br32 N32 -","8","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566159","12.64878","0.00013","21.8402","0.0002","19.4954","0.0002","90","","106.767","0.0011","90","","5156.68","0.09","173","0.1","173","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 Al B Br4 Cl3 N4 O -","- C41 H65 Al B Br4 Cl3 N4 O -","- C164 H260 Al4 B4 Br16 Cl12 N16 O4 -","4","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0649","0.0585","","","0.1555","0.1606","","","","","","1.035","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566160","14.3058","0.0005","14.4769","0.0005","14.7822","0.0005","82.612","0.003","72.27","0.003","89.201","0.003","2890.8","0.18","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H77 Al B Br4 N5 -","- C54 H77 Al B Br4 N5 -","- C108 H154 Al2 B2 Br8 N10 -","2","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0691","0.0457","","","0.1105","0.1185","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566161","14.0425","0.0005","11.2236","0.0004","19.5237","0.0007","90","","103.069","0.002","90","","2997.38","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N6 O4 -","- C38 H24 N6 O4 -","- C152 H96 N24 O16 -","4","1","","Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H.","Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design","Chemical Science","2022","","","","","10.1039/D1SC06931D","","","0.71073","MoKα","","0.079","0.0493","","","0.1237","0.1387","","","","","","1.017","","","","has coordinates","272259","2022-01-26","23:17:05",""
"1566162","30.755","0.006","16.741","0.003","41.053","0.008","90","","108.2","0.03","90","","20079","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C220 H102 B2 F8 N14 O16 Pd2 -","- C220 H102 B2 F8 N14 O16 Pd2 -","- C880 H408 B8 F32 N56 O64 Pd8 -","4","1","","Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H.","Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design","Chemical Science","2022","","","","","10.1039/D1SC06931D","","","1.0332","synchrotron","","0.1443","0.1188","","","0.3434","0.3706","","","","","","1.665","","","","has coordinates,has disorder","272259","2022-01-26","23:17:24",""
"1566163","41.972","0.008","70.711","0.014","27.616","0.006","90","","90","","90","","81961","3","80","2","80","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C608 H384 F60 N96 O64 Pd8 Sb10 -","- C608 H384 F60 N96 O64 Pd8 Sb10 -","- C2432 H1536 F240 N384 O256 Pd32 Sb40 -","4","0.5","","Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H.","Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design","Chemical Science","2022","","","","","10.1039/D1SC06931D","","","0.6888","synchrotron","","0.1676","0.1294","","","0.3728","0.4034","","","","","","1.649","","","","has coordinates,has disorder","272259","2022-01-26","23:17:24",""
"1566188","5.862","0.003","7.712","0.004","14.907","0.008","90","","90","","90","","673.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh","Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer","Chemical Science","2022","13","8","2331","2338","10.1039/D1SC06755A","","","0.71073","MoKα","","0.0689","0.0471","","","0.1044","0.1155","","","","","","1.023","","","","has coordinates","273351","2022-03-04","22:07:06",""
"1566189","4.785","0.004","13.523","0.011","13.254","0.011","90","","93.94","0.009","90","","855.6","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","lactosamine","β-<i>D</i>-Galactopyranosyl-(1→4)–2-amino-2-deoxy-α-<i>D</i>-glucopyranose hydrochloride monohydrate","","- C12 H26 Cl N O11 -","- C12 H26 Cl N O11 -","- C24 H52 Cl2 N2 O22 -","2","1","GG4007","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine)","IUCrData","2022","7","1","x220061","","10.1107/S241431462200061X","","","0.71073","MoKα","","0.1519","0.0658","","","0.1067","0.1312","","","","","","1.01","","","","has coordinates,has Fobs","272347","2022-01-29","03:14:28",""
"1566196","21.873","0.0005","15.4168","0.0003","27.7277","0.0006","90","","113.23","","90","","8592.1","0.3","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80.54 F24 N3 O8 -","- C90 H81 F24 N3 O8 -","- C360 H324 F96 N12 O32 -","4","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.2618","0.1883","","","0.4423","0.4886","","","","","","1.491","","","","has coordinates,has disorder","272358","2022-01-31","23:10:08",""
"1566197","33.1351","0.0006","12.8854","0.0002","23.6066","0.0007","90","","131.764","0.001","90","","7517.9","0.3","230","2","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H82 Cl4 F8 N2 O8 -","- C82 H82 Cl4 F8 N2 O8 -","- C328 H328 Cl16 F32 N8 O32 -","4","0.5","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1454","0.1332","","","0.4235","0.4483","","","","","","2.104","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566198","28.0557","0.0013","31.8586","0.0013","36.449","0.0012","90","","90","","90","","32579","2","220","","220","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C68 H48 F16 O8 -","- C68 H48 F16 O8 -","- C1088 H768 F256 O128 -","16","0.5","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.3117","0.2524","","","0.5948","0.6582","","","","","","2.369","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566199","12.0029","0.0007","12.909","0.0007","25.4812","0.0014","78.324","0.003","77.909","0.003","79.55","0.003","3740.7","0.4","210","","210","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H80 F12 N4 O8 -","- C84 H80 F12 N4 O8 -","- C168 H160 F24 N8 O16 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1853","0.1597","","","0.4636","0.495","","","","","","2.06","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566200","12.7581","0.001","22.867","0.002","16.3241","0.0014","90","","94.056","0.006","90","","4750.5","0.7","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C95 H106 F16 N2 O11 S -","- C95 H106 F16 N2 O11 S -","- C190 H212 F32 N4 O22 S2 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.2646","0.1736","","","0.4253","0.4927","","","","","","1.482","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566201","11.9327","0.0003","12.8148","0.0003","24.0608","0.0005","100.145","0.001","96.381","0.001","102.831","0.001","3487.76","0.14","220","","220","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H89 N3 O8 -","- C82 H89 N3 O8 -","- C164 H178 N6 O16 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.17","0.1539","","","0.4797","0.5052","","","","","","2.333","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566202","18.7373","0.0019","23.963","0.002","25.256","0.003","82.849","0.005","74.062","0.006","78.107","0.005","10642.2","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C197 H203 F48 N2 O22 S2 -","- C197 H203 F48 N2 O22 S2 -","- C394 H406 F96 N4 O44 S4 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.3796","0.3131","","","0.6257","0.668","","","","","","2.203","","","","has coordinates,has disorder","272358","2022-01-31","23:10:09",""
"1566203","12.5311","0.0002","20.5937","0.0003","32.976","0.0005","90","","94.627","0.001","90","","8482.1","0.2","220","","220","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H107 F12 N O11 S -","- C93 H107 F12 N O11 S -","- C372 H428 F48 N4 O44 S4 -","4","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1497","0.081","","","0.2034","0.2458","","","","","","1.045","","","","has coordinates,has disorder","272358","2022-01-31","23:10:10",""
"1566204","23.0191","0.0011","22.9578","0.0011","32.8882","0.0019","90","","90","","90","","17380.4","1.5","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H112 F8 N2 O11 S -","- C94 H112 F8 N2 O11 S -","- C752 H896 F64 N16 O88 S8 -","8","2","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1845","0.1334","","","0.3413","0.3788","","","","","","1.188","","","","has coordinates","272358","2022-01-31","23:10:10",""
"1566205","11.9504","0.0003","12.9188","0.0003","24.0391","0.0007","99.832","0.001","96.529","0.001","101.954","0.001","3534.42","0.16","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H85 F4 N3 O8 -","- C82 H85 F4 N3 O8 -","- C164 H170 F8 N6 O16 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1253","0.0979","","","0.2581","0.2819","","","","","","1.086","","","","has coordinates,has disorder","272358","2022-01-31","23:10:10",""
"1566206","11.969","0.004","12.961","0.003","24.112","0.004","101.319","0.007","91.758","0.013","101.826","0.014","3580.1","1.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H85 F4 N3 O8 -","- C82 H85 F4 N3 O8 -","- C164 H170 F8 N6 O16 -","2","1","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.128","0.1185","","","0.3586","0.3817","","","","","","1.69","","","","has coordinates","272358","2022-01-31","23:10:10",""
"1566207","22.7987","0.0009","33.305","0.0013","21.422","0.0008","90","","94.928","0.002","90","","16205.8","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 F12 N O8 -","- C77.5 H70 F12 N O8 -","- C620 H560 F96 N8 O64 -","8","2","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.3687","0.2069","","","0.4897","0.5748","","","","","","1.363","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1566239","39.433","0.003","39.433","0.003","16.2564","0.0005","90","","90","","120","","21891","2","200.15","","200.15","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3 -","- C45.26 H22 Al Cl2 Cr0.184 O15.3334 Zr3 -","- C271.56 H132 Al6 Cl12 Cr1.104 O92.0004 Zr18 -","6","0.25","","Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K.","Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst","Catalysis Science & Technology","2022","12","5","1619","1627","10.1039/D1CY01990B","","x-ray","1.54184","CuKα","","0.1033","0.0859","","","0.2454","0.2678","","","","","","1.021","","","","has coordinates,has disorder","274937","2022-05-05","20:17:48",""
"1566240","23.6421","0.0002","23.8375","0.0002","38.8128","0.0003","107.572","0.001","91.111","0.001","114.493","0.001","18711.2","0.3","100.4","0.7","100.4","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C254 H244 Bi38 N11 O149 Ti6 -","- C205 H126 Bi38 O134 Ti6 -","- C410 H252 Bi76 O268 Ti12 -","2","1","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0602","0.0493","","","0.1277","0.1333","","","","","","1.072","","","","has coordinates","272400","2022-02-01","23:11:19",""
"1566241","24.8265","0.0005","24.8265","0.0005","120.4773","0.0015","90","","90","","120","","64308","2","99.97","0.11","99.97","0.11","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H222 Bi38 N6 O158 Ti14 -","- C234 H180 Bi38 O152 Ti14 -","- C1404 H1080 Bi228 O912 Ti84 -","6","0.166667","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0966","0.0831","","","0.2302","0.2439","","","","","","1.069","","","","has coordinates","272400","2022-02-01","23:11:20",""
"1566242","39.6442","0.0016","39.6442","0.0016","23.6456","0.0015","90","","90","","120","","32184","3","100.01","0.11","100.01","0.11","","","","","","","","5","R -3 :H","-R 3","148","","","","- C312 H276 Bi38 O164 Ti18 -","- C312 H276 Bi38 O164 Ti18 -","- C936 H828 Bi114 O492 Ti54 -","3","0.166667","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.1275","0.102","","","0.3013","0.3285","","","","","","1.217","","","","has coordinates","272400","2022-02-01","23:11:20",""
"1566243","31.6643","0.0003","33.3838","0.0003","35.4595","0.0003","90","","91.569","0.001","90","","37469.3","0.6","104.2","0.3","104.2","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C240 H202 Bi38 N10 O145 Ti6 -","- C240 H202 Bi38 N10 O145 Ti6 -","- C960 H808 Bi152 N40 O580 Ti24 -","4","0.5","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0946","0.0866","","","0.2288","0.2414","","","","","","1.029","","","","has coordinates","272400","2022-02-01","23:11:20",""
"1566244","23.1533","0.0005","23.548","0.0005","23.6018","0.0005","117.688","0.002","115.545","0.002","92.2502","0.0017","9807.3","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C306 H304 Bi38 N4 O186 Ti20 -","- C306 H304 Bi38 N4 O186 Ti20 -","- C306 H304 Bi38 N4 O186 Ti20 -","1","0.5","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0936","0.0632","","","0.1615","0.1971","","","","","","1.037","","","","has coordinates","272400","2022-02-01","23:11:20",""
"1566245","25.2403","0.0001","43.6932","0.0002","49.0721","0.0003","90","","96.672","0.001","90","","53751.6","0.5","100","0.14","100","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C342 H236 Bi38 N4 O178 Ti16 -","- C342 H236 Bi38 N4 O178 Ti16 -","- C1368 H944 Bi152 N16 O712 Ti64 -","4","0.5","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0896","0.0669","","","0.172","0.1947","","","","","","1.018","","","","has coordinates","272400","2022-02-01","23:11:21",""
"1566246","22.5953","0.0002","37.4685","0.0003","23.2719","0.0002","90","","98.164","0.001","90","","19502.6","0.3","110.01","0.1","110.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C290 H210 Bi38 N6 O159 Ti16 -","- C290 H210 Bi38 N6 O159 Ti16 -","- C580 H420 Bi76 N12 O318 Ti32 -","2","0.5","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0798","0.0635","","","0.159","0.1733","","","","","","1.044","","","","has coordinates","272400","2022-02-01","23:11:21",""
"1566247","6.5937","0.0006","22.424","0.002","10.7128","0.0011","90","","97.951","0.003","90","","1568.7","0.3","100","","100","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O5 S -","- C15 H17 N3 O5 S -","- C60 H68 N12 O20 S4 -","4","2","","Rigotti, Thomas; Schwinger, Daniel P.; Graßl, Raphaela; Jandl, Christian; Bach, Thorsten","Enantioselective crossed intramolecular [2+2] photocycloaddition reactions mediated by a chiral chelating Lewis acid","Chemical Science","2022","13","8","2378","2384","10.1039/D2SC00113F","","x-ray","0.71073","MoKα","","0.0309","0.03","","","0.0789","0.0796","","","","","","1.06","","","","has coordinates","273347","2022-03-04","22:05:31",""
"1566248","6.7031","0.0006","10.9813","0.0011","8.2969","0.0008","90","","90","","90","","610.72","0.1","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","RbNaNbF7","","","- F7 Na Nb Rb -","- F7 Na Nb Rb -","- F28 Na4 Nb4 Rb4 -","4","0.25","","Kumada, N.; Takei, T.","Hydrothermal synthesis and crystal structure of a new rubidium sodium niobium fluoride, RbNaNbF7","Journal of the Ceramic Society of Japan","2022","130","","232","235","10.2109/jcersj2.21147","","","","","","","","","","","","","","","","","","","","","has coordinates","272402","2022-02-01","23:51:15",""
"1566249","13.386","0.003","6.0085","0.0007","17.843","0.003","90","","108.657","0.015","90","","1359.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[dipotassium [(μ~6~-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","","- C16 H26.4 Ag2 K2 N2 O13.2 S4 -","- C16 H16 Ag2 K2 N2 O13.2 S4 -","- C32 H32 Ag4 K4 N4 O26.4 S8 -","2","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","IUCrData","2022","7","2","","","10.1107/S2414314622000773","","","0.71073","MoKα","","0.0539","0.0482","","","0.1106","0.1135","","","","","","1.165","","","","has coordinates,has Fobs","272412","2022-02-02","03:12:17",""
"1566266","7.5832","0.0001","15.8833","0.0001","10.5856","0.0001","90","","104.429","0.001","90","","1234.78","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 S -","- C25 H23 N3 O7 S -","- C50 H46 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.0962","0.0976","","","","","","0.822","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566267","7.2994","0.0002","8.0887","0.0003","21.2887","0.0008","91.614","0.003","94.807","0.002","100.145","0.002","1231.76","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O7 S -","- C25 H22 N3 O7 S -","- C50 H44 N6 O14 S2 -","2","1","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0629","0.0584","","","0.1702","0.1764","","","","","","1.05","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566268","14.60983","0.00019","31.1413","0.0005","10.11618","0.00015","90","","91.553","0.0012","90","","4600.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C200 H192 N16 O40 S8 -","8","2","","Huang, Yao; Zou, Suchen; Yu, Bangkui; Yan, Xuyang; Liu, Song; Huang, Hanmin","Highly regioselective and diastereodivergent aminomethylative annulation of dienyl alcohols enabled by a hydrogen-bonding assisting effect","Chemical Science","2022","13","8","2317","2323","10.1039/D1SC06479G","","","1.54184","CuKα","","0.0792","0.0591","","","0.2117","0.248","","","","","","0.954","","","","has coordinates","273346","2022-03-04","22:05:18",""
"1566269","12.3592","0.0013","14.4324","0.0014","6.7939","0.0007","90","","90","","90","","1211.8","0.2","446","2","446","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ba K2 P2 S6 -","- Ba K2 P2 S6 -","- Ba4 K8 P8 S24 -","4","1","","Nguyen, Vivian; Ji, Bingheng; Wu, Kui; Zhang, Bingbing; Wang, Jian","Unprecedented Mid-Infrared Nonlinear Optical Materials Achieved by Crystal Structure Engineering, a Case Study of (KX)P2S6(X=Sb, Bi, Ba)","Chemical Science","2022","","","","","10.1039/D1SC06849K","","","0.71073","MoKα","","0.0561","0.0373","","","0.0807","0.0874","","","","","","1.071","","","","has coordinates","272433","2022-02-02","23:10:01",""
"1566270","8.8009","0.0007","9.6826","0.0008","10.4994","0.0009","112.804","0.003","93.996","0.001","114.554","0.003","721.23","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cu Mo2 N8 O7 -","- C20 H32 Cu Mo2 N8 O7 -","- C20 H32 Cu Mo2 N8 O7 -","1","0.5","","Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa","Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation","Energy & Fuels","2022","36","3","1665","1675","10.1021/acs.energyfuels.1c03886","","","0.71073","MoKα","","0.0614","0.0387","","","0.094","0.1054","","","","","","1.043","","","","has coordinates","272502","2022-02-03","23:05:57",""
"1566271","10.9545","0.0009","14.0136","0.0013","14.1643","0.0014","112.531","0.003","105.692","0.002","100.281","0.002","1833.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cu Mo4 N8 O13 -","- C24 H40 Cu Mo4 N8 O13 -","- C48 H80 Cu2 Mo8 N16 O26 -","2","1","","Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa","Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation","Energy & Fuels","2022","36","3","1665","1675","10.1021/acs.energyfuels.1c03886","","","0.71073","MoKα","","0.0903","0.0606","","","0.1472","0.1634","","","","","","1.011","","","","has coordinates,has disorder","272503","2022-02-03","23:06:17",""
"1566272","8.149","0.0008","17.0301","0.0015","16.8649","0.0014","90","","101.629","0.003","90","","2292.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl2 Cu N12 -","- C36 H58 Cl2 Cu N12 -","- C72 H116 Cl4 Cu2 N24 -","2","0.5","","Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa","Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation","Energy & Fuels","2022","36","3","1665","1675","10.1021/acs.energyfuels.1c03886","","","0.71073","MoKα","","0.0716","0.0419","","","0.0987","0.112","","","","","","0.993","","","","has coordinates","272504","2022-02-03","23:06:41",""
"1566273","11.261","0.0011","14.1964","0.0012","14.56","0.0013","67.177","0.001","71.068","0.001","78.144","0.002","2020.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Cu Mo4 N8 O13 -","- C28 H48 Cu Mo4 N8 O13 -","- C56 H96 Cu2 Mo8 N16 O26 -","2","1","","Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa","Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation","Energy & Fuels","2022","36","3","1665","1675","10.1021/acs.energyfuels.1c03886","","","0.71073","MoKα","","0.0573","0.0384","","","0.1015","0.1136","","","","","","1.052","","","","has coordinates,has disorder","272505","2022-02-03","23:07:04",""
"1566274","11.3424","0.0002","25.8718","0.0006","11.9601","0.0003","90","","90","","90","","3509.67","0.13","293","","293","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C192 H144 Fe8 O16 -","8","0.5","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0148","0.0138","","","0.0312","0.0317","","","","","","1.0697","","","","has coordinates","274966","2022-05-05","20:26:49",""
"1566275","13.1378","0.0003","16.3059","0.0003","19.0267","0.0003","97.399","0.002","93.732","0.002","113.532","0.002","3675.33","0.14","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H75 Cl9 Fe3 N6 O0.39 -","- C69 H75 Cl9 Fe3 N6 O0.391 -","- C138 H150 Cl18 Fe6 N12 O0.782 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","1.54184","CuKα","","0.0823","0.0611","","","0.166","0.1822","","","","","","1.085","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566276","16.0318","0.0003","17.0394","0.0002","21.0388","0.0004","102.395","0.001","99.882","0.002","91.283","0.001","5519.49","0.17","100.01","0.1","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H114 Cl18 Fe3 N6 -","- C113 H114 Cl18 Fe3 N6 -","- C226 H228 Cl36 Fe6 N12 -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","","0.71073","MoKα","","0.0844","0.0652","","","0.1848","0.201","","","","","","1.022","","","","has coordinates","274966","2022-05-05","20:26:50",""
"1566277","10.8575","0.0002","16.0366","0.0002","19.8722","0.0003","107.932","0.001","90.985","0.002","106.814","0.001","3129.76","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Fe3 N8 O0.5 -","- C75 H58 Fe3 N8 O0.5 -","- C150 H116 Fe6 N16 O -","2","1","","Kunde, Tom; Pausch, Tobias; Guńka, Piotr A; Krzyżanowski, Maurycy; Kasprzak, Artur; Schmidt, Bernd M.","Fast, solvent-free synthesis of ferrocene-containing organic cages <i>via</i> dynamic covalent chemistry in the solid state.","Chemical science","2022","13","10","2877","2883","10.1039/d1sc06372c","","x-ray","0.71073","MoKα","","0.0602","0.0414","","","0.1062","0.1178","","","","","","1.03","","","","has coordinates,has disorder","274966","2022-05-05","20:26:50",""
"1566278","29.7978","0.0004","29.7978","0.0004","27.541","0.0019","90","","90","","90","","24453.9","1.7","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H120 F9 N62 Nd O57.5 S3 Zn16 -","- C185 H120 F3 N56 Nd O51.5 S Zn16 -","- C740 H480 F12 N224 Nd4 O206 S4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54184","CuKα","","0.0572","0.055","","","0.1902","0.1943","","","","","","1.05","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566279","30.0778","0.0004","30.0778","0.0004","26.9277","0.0019","90","","90","","90","","24360.8","1.8","85","2","85","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C187 H124.5 F9 N56 O47 S3 Yb Zn16 -","- C185 H120 F3 N56 O44 S Yb Zn16 -","- C740 H480 F12 N224 O176 S4 Yb4 Zn64 -","4","0.25","","Eliseeva, Svetlana V.; Nguyen, Tu N.; Kampf, Jeff W.; Trivedi, Evan R.; Pecoraro, Vincent L.; Petoud, Stéphane","Tuning the photophysical properties of lanthanide(iii)/zinc(ii) 'encapsulated sandwich' metallacrowns emitting in the near-infrared range.","Chemical science","2022","13","10","2919","2931","10.1039/d1sc06769a","","","1.54178","CuKα","","0.0768","0.0687","","","0.2087","0.2193","","","","","","1.045","","","","has coordinates,has disorder","274968","2022-05-05","20:28:05",""
"1566280","15.662","0.0004","10.0274","0.0002","10.2923","0.0003","90","","104.545","0.001","90","","1564.59","0.07","230","2","230","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C80 H56 N8 O4 S4 -","4","1","","Gao, Yang; Yang, Simin; She, Minwei; Nie, Jianhong; Huo, Yanping; Chen, Qian; Li, Xianwei; Hu, Xiao-Qiang","Practical synthesis of 3-aryl anthranils via an electrophilic aromatic substitution strategy","Chemical Science","2022","","","","","10.1039/D1SC06565C","","","0.71073","MoKα","","0.0575","0.042","","","0.1078","0.1213","","","","","","1.082","","","","has coordinates","272508","2022-02-03","23:17:48",""
"1566281","13.1015","0.0003","13.9905","0.0003","14.3129","0.0003","103.697","0.0018","99.4485","0.0018","117.548","0.002","2142.83","0.1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","N-(9-(2-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)phenyl)-6- (diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium hexafluorophosphate 1.5 diethyl ether solvate","","- C43 H62 F6 N4 O5.5 P -","- C37 H47 F6 N4 O4 P -","- C74 H94 F12 N8 O8 P2 -","2","1","","Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P.","Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging.","Journal of medicinal chemistry","2022","65","1","811","823","10.1021/acs.jmedchem.1c01899","","x-ray","1.54184","CuKα","","0.0482","0.0448","","","0.1274","0.1302","","","","","","1.076","","","","has coordinates","272513","2022-02-04","00:34:31",""
"1566282","7.3468","0.0004","9.587","0.0004","10.3986","0.0005","71.686","0.004","80.813","0.004","86.65","0.004","686.37","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C32 H34 O11 -","- C32 H34 O11 -","- C32 H34 O11 -","1","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0922","0.0675","","","0.1577","0.1917","","","","","","1.059","","","","has coordinates","272514","2022-02-04","00:42:00",""
"1566283","7.2806","0.0002","9.8268","0.0003","11.0309","0.0003","85.062","0.002","88.911","0.002","86.614","0.002","784.83","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O14 -","- C33 H40 O14 -","- C33 H40 O14 -","1","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0423","0.0399","","","0.1072","0.1091","","","","","","1.047","","","","has coordinates","272515","2022-02-04","00:42:17",""
"1566284","14.3066","0.0003","7.5865","0.0001","14.8171","0.0003","90","","113.339","0.003","90","","1476.62","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0406","0.0365","","","0.0917","0.0958","","","","","","1.05","","","","has coordinates","272516","2022-02-04","00:42:38",""
"1566285","7.4273","0.0002","17.5037","0.0003","25.5651","0.0004","90","","90","","90","","3323.6","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O14 -","- C36 H42 O14 -","- C144 H168 O56 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0544","0.0419","","","0.104","0.1105","","","","","","1.043","","","","has coordinates","272517","2022-02-04","00:43:03",""
"1566286","10.0366","0.0001","10.7583","0.0001","15.9163","0.0002","90","","95.435","0.001","90","","1710.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H42 O14 -","- C36 H42 O14 -","- C72 H84 O28 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0382","0.0364","","","0.0972","0.0986","","","","","","1.064","","","","has coordinates","272518","2022-02-04","00:43:26",""
"1566287","7.8346","0.0001","15.3938","0.0002","24.8916","0.0003","90","","90","","90","","3002.03","0.07","100","0.12","100","0.12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0477","0.0407","","","0.0999","0.1036","","","","","","1.06","","","","has coordinates","272519","2022-02-04","00:43:53",""
"1566288","7.03918","0.00004","16.93129","0.0001","24.57803","0.00015","90","","90","","90","","2929.27","0.03","250","0.1","250","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O11 -","- C32 H34 O11 -","- C128 H136 O44 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0304","0.0298","","","0.0824","0.083","","","","","","1.061","","","","has coordinates","272520","2022-02-04","00:44:18",""
"1566289","12.3621","0.0001","11.0513","0.0001","13.3183","0.0001","90","","110.977","0.001","90","","1698.92","0.03","100.03","0.1","100.03","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H40 O12 S -","- C34 H40 O12 S -","- C68 H80 O24 S2 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0692","0.0693","","","","","","1.059","","","","has coordinates","272521","2022-02-04","00:45:01",""
"1566290","7.9321","0.0001","10.0348","0.0001","18.6923","0.0002","90","","91.815","0.001","90","","1487.11","0.03","100.1","0.2","100.1","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0347","0.0334","","","0.0865","0.0874","","","","","","1.07","","","","has coordinates","272522","2022-02-04","00:45:32",""
"1566291","8.0867","0.0001","10.26","0.0001","17.8397","0.0002","90","","100.578","0.001","90","","1455","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C64 H68 O24 -","2","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0368","0.0363","","","0.0984","0.0989","","","","","","1.084","","","","has coordinates","272523","2022-02-04","00:46:02",""
"1566292","6.7227","0.0001","17.5115","0.0003","24.9638","0.0003","90","","90","","90","","2938.85","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0468","0.0425","","","0.1077","0.1097","","","","","","1.054","","","","has coordinates","272524","2022-02-04","00:46:25",""
"1566293","8.20954","0.00015","13.0261","0.0002","22.2179","0.0003","90","","90","","90","","2375.94","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","x-ray","1.54184","CuKα","","0.0397","0.0381","","","0.0997","0.1014","","","","","","1.051","","","","has coordinates","272525","2022-02-04","00:46:56",""
"1566294","9.14014","0.00009","13.23545","0.00016","19.4513","0.0002","90","","90","","90","","2353.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","x-ray","1.54184","CuKα","","0.044","0.0435","","","0.1178","0.1183","","","","","","1.078","","","","has coordinates","272526","2022-02-04","00:47:33",""
"1566295","11.2389","0.0007","12.4074","0.0005","15.325","0.0007","90","","90","","90","","2137","0.19","103.4","","103.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","","1.5418","CuKα","","0.0406","0.0392","","","0.1031","0.1047","","","","","","1.076","","","","has coordinates","272527","2022-02-04","00:47:56",""
"1566296","11.6684","0.0004","8.063","0.0003","29.5996","0.001","90","","98.518","0.002","90","","2754.08","0.17","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O7 -","- C28 H44 O7 -","- C112 H176 O28 -","4","2","","Zhang, Xiuyun; Liu, Yao; Deng, Jili; Xia, Jiankai; Zhang, Qiang; Chen, Xin; Liu, Runze; Gao, Yuqi; Gao, Jin-Ming","Structurally Diverse Sesquiterpenoid Glycoside Esters from <i>Pittosporum qinlingense</i> with Anti-neuroinflammatory Activity.","Journal of natural products","2022","85","1","115","126","10.1021/acs.jnatprod.1c00544","","","1.54178","CuKα","","0.0349","0.0318","","","0.0819","0.0845","","","","","","1.039","","","","has coordinates","272528","2022-02-04","00:48:22",""
"1566297","4.705","0.0001","12.2221","0.0003","12.1951","0.0003","90","","99.486","0.002","90","","691.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","1.54184","CuKα","","0.0393","0.0378","","","0.1042","0.1056","","","","","","1.056","","","","has coordinates","272529","2022-02-04","00:48:53",""
"1566298","5.832","0.0001","11.0477","0.0001","24.6078","0.0003","90","","93.38","0.001","90","","1582.73","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","2","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","1.54184","CuKα","","0.0357","0.0342","","","0.0887","0.0897","","","","","","1.044","","","","has coordinates","272530","2022-02-04","00:49:23",""
"1566299","15.851","0.003","9.869","0.002","17.994","0.003","90","","92.952","0.017","90","","2811.1","0.9","112.55","0.1","112.55","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C128 H144 O32 -","8","1","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","0.71073","MoKα","","0.1895","0.0738","","","0.1119","0.1599","","","","","","0.949","","","","has coordinates","272531","2022-02-04","00:49:49",""
"1566300","14.0059","0.0012","12.3372","0.0009","7.0592","0.0006","90","","100.903","0.008","90","","1197.77","0.17","112.35","0.1","112.35","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","0.71073","MoKα","","0.1613","0.0654","","","0.0919","0.1219","","","","","","0.975","","","","has coordinates","272533","2022-02-04","00:50:12",""
"1566301","14.155","0.0004","9.2926","0.0002","18.6842","0.0005","90","","106.042","0.003","90","","2361.96","0.11","114.25","0.1","114.25","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","1.54184","CuKα","","0.0489","0.0403","","","0.104","0.1109","","","","","","1.038","","","","has coordinates,has disorder","272534","2022-02-04","00:50:35",""
"1566302","15.9081","0.001","10.1431","0.0006","23.4731","0.0017","90","","98.646","0.007","90","","3744.5","0.4","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,2-bis(3,6-di-tert-butyl-9H-fluoren-9-ylidene)ethene","","- C44 H48 -","- C44 H48 -","- C176 H192 -","4","1","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.1283","0.0762","","","0.1529","0.1727","","","","","","1.043","","","","has coordinates,has disorder","272538","2022-02-04","01:42:25",""
"1566303","11.658","0.0009","5.99","0.0005","13.4368","0.0012","90","","100.125","0.007","90","","923.7","0.14","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,2-di(9H-fluoren-9-ylidene)ethene","","- C28 H16 -","- C28 H16 -","- C56 H32 -","2","0.5","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.092","0.0462","","","0.0953","0.1095","","","","","","1.021","","","","has coordinates","272538","2022-02-04","01:42:26",""
"1566304","9.993","0.002","10.043","0.002","10.481","0.002","92.172","0.007","104.863","0.007","105.068","0.007","975.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","tetraphenylbutatriene","1,1,4,4-tetraphenylbuta-1,2,3-triene","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.17","0.0808","","","0.2165","0.2772","","","","","","1.029","","","","has coordinates","272538","2022-02-04","01:42:26",""
"1566305","10.5476","0.0006","9.05","0.0004","11.9209","0.0004","90","","115.048","0.004","90","","1030.9","0.09","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trinitro-3-Bromo Anisole (TNBA)","","- C7 H4 Br N3 O7 -","- C7 H4 Br N3 O7 -","- C28 H16 Br4 N12 O28 -","4","1","","Childs, Christian M.; Steele, Brad A.; Grivickas, Paulius; Zhang, Dongzhou; Crowhurst, Jonathan; Kuo, I-Feng W.; Bastea, Sorin; Clarke, Samantha M.","High-Pressure Investigation of 2,4,6-Trinitro-3-bromoanisole (TNBA): Structural Determination and Piezochromism","The Journal of Physical Chemistry C","2022","126","2","1176","1187","10.1021/acs.jpcc.1c08804","","","0.43409","synchrotron","","0.1014","0.071","","","0.2189","0.309","","","","","","1.2772","","","","has coordinates","272539","2022-02-04","01:43:03",""
"1566306","12.9783","0.0005","14.4105","0.0006","8.381","0.0004","90","","105.605","0.002","90","","1509.67","0.11","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","1","","Jia, Qiang-Qiang; Luo, Qing-Feng; Ni, Hao-Fei; Su, Chang-Yuan; Fu, Da-Wei; Xie, Li-Yan; Lu, Hai-Feng","High-Sensitivity Organic–Inorganic Hybrid Materials with Reversible Thermochromic Property and Dielectric Switching","The Journal of Physical Chemistry C","2022","126","3","1552","1557","10.1021/acs.jpcc.1c10347","","","0.71073","MoKα","","0.0287","0.0258","","","0.0586","0.0614","","","","","","1.128","","","","has coordinates","272540","2022-02-04","01:43:25",""
"1566307","9.915","0.0002","7.2523","0.0002","11.9573","0.0003","90","","98.558","0.002","90","","850.23","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxybenzenaminium acetate","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","VM4050","Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef","2-Hydroxybenzenaminium acetate","IUCrData","2022","7","2","x220112","","10.1107/S2414314622001122","","","0.71073","MoKα","","0.0431","0.0375","","","0.1029","0.1087","","","","","","1.046","","","","has coordinates,has Fobs","272553","2022-02-04","03:35:26",""
"1566308","20.883","0.011","8.704","0.004","19.093","0.007","90","","123.59","0.03","90","","2891","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H32 B P S -","- C37 H32 B P S -","- C148 H128 B4 P4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0765","0.0526","","","0.1124","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274969","2022-05-05","20:28:30",""
"1566309","8.8","0.005","10.843","0.006","17.829","0.01","90","","99.74","0.02","90","","1676.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 B N S -","- C21 H16 B N S -","- C84 H64 B4 N4 S4 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0763","0.0691","","","0.1525","0.1551","","","","","","1.271","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566310","10.278","0.003","12.065","0.003","16.702","0.004","92.946","0.009","107.906","0.008","114.158","0.016","1760.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.25 H33.51 B2 N3 S2 -","- C44.252 H33.504 B2 N3 S2 -","- C88.504 H67.008 B4 N6 S4 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0504","0.0381","","","0.089","0.0965","","","","","","1.024","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566311","9.9577","0.0013","12.2845","0.0016","16.579","0.005","100.823","0.007","90.407","0.008","112.635","0.01","1831.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 B2 N3 S2 Si -","- C41 H37 B2 N3 S2 Si -","- C82 H74 B4 N6 S4 Si2 -","2","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0386","0.0312","","","0.0738","0.0779","","","","","","1.036","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566312","14.644","0.007","11.056","0.004","17.829","0.008","90","","94.9","0.02","90","","2876","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 B2 S2 -","- C36 H30 B2 S2 -","- C144 H120 B8 S8 -","4","0.5","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.1042","0.0585","","","0.1294","0.149","","","","","","1.038","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566313","11.4201","0.0001","17.9796","0.0001","12.1277","0.0001","90","","90.12","0.001","90","","2490.16","0.03","100","2","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 S2 -","- C32 H22 B2 S2 -","- C128 H88 B8 S8 -","4","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","1.54184","CuKα","","0.0305","0.0305","","","0.0819","0.0819","","","","","","1.022","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566314","13.289","0.006","30.28","0.016","7.763","0.005","90","","93.3","0.02","90","","3119","3","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S -","- C19 H17 B S -","- C152 H136 B8 S8 -","8","2","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0821","0.0602","","","0.1139","0.1211","","","","","","1.174","","","","has coordinates,has disorder","274969","2022-05-05","20:28:31",""
"1566315","13.299","0.003","18.859","0.004","13.574","0.003","90","","112.808","0.01","90","","3138.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 B2 N4 O2 S2 -","- C38 H26 B2 N4 O2 S2 -","- C152 H104 B8 N16 O8 S8 -","4","1","","Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger","Diboramacrocycles: reversible borole dimerisation-dissociation systems.","Chemical science","2022","13","10","2932","2938","10.1039/d1sc06908j","","","0.71073","MoKα","","0.0875","0.0514","","","0.1197","0.1392","","","","","","1.062","","","","has coordinates","274969","2022-05-05","20:28:31",""
"1566316","6.327","0.0013","26.441","0.005","7.0232","0.0014","90","","95.01","0.03","90","","1170.4","0.4","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ArOH:ArFCHO","Phenol:Pentafluorobenzaldehyde","","- C13 H7 F5 O2 -","- C13 H7 F5 O2 -","- C52 H28 F20 O8 -","4","1","","Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth","Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals","Polymer Chemistry","2022","13","10","1359","1368","10.1039/D1PY01387D","","","0.71073","MoKα","","0.1479","0.0796","","","0.188","0.2305","","","","","","1.092","","","","has coordinates","275068","2022-05-05","20:55:48",""
"1566317","5.9872","0.0015","7.934","0.002","13.242","0.003","105.378","0.004","99.982","0.005","94.446","0.004","592.3","0.3","183","2","183.15","","","","","","","","","4","P -1","-P 1","2","ArCHO:ArFOH","Benzaldehyde:Pentafluorophenol","","- C13 H7 F5 O2 -","- C13 H7 F5 O2 -","- C26 H14 F10 O4 -","2","1","","Gerthoffer, Margaret C.; Xu, Bohan; Wu, Sikai; Cox, Jordan; Huss, Steven; Oburn, Shalisa M.; Lopez, Steven A.; Crespi, Vincent H.; Badding, John V.; Elacqua, Elizabeth","Mechanistic insights into the pressure-induced polymerization of aryl/perfluoroaryl co-crystals","Polymer Chemistry","2022","13","10","1359","1368","10.1039/D1PY01387D","","","0.71073","MoKα","","0.0497","0.0411","","","0.1227","0.136","","","","","","1.09","","","","has coordinates","275068","2022-05-05","20:55:49",""
"1566318","8.165","0.0005","15.5778","0.0009","16.2365","0.001","77.7","0.001","87.359","0.002","83.158","0.003","2002.9","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ag2 N4 S4 -","- C40 H46 Ag2 N4 S4 -","- C80 H92 Ag4 N8 S8 -","2","1","","Oladipo, Segun D.; Omondi, Bernard","N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer","Molbank","2022","2022","1","M1327","","10.3390/M1327","","x-ray","0.71073","MoKα","","0.061","0.0418","","","0.111","0.1196","","","","","","0.983","","","","has coordinates,has disorder","272803","2022-02-05","17:05:46",""
"1566319","30.0941","0.0006","30.0941","0.0006","50.6555","0.0011","90","","90","","120","","39730.1","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C156 H210 Ag6 N12 S12 -","- C156 H210 Ag6 N12 S12 -","- C1404 H1890 Ag54 N108 S108 -","9","0.5","","Oladipo, Segun D.; Omondi, Bernard","N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer","Molbank","2022","2022","1","M1327","","10.3390/M1327","","","0.71073","MoKα","","0.0869","0.0409","","","0.0866","0.1009","","","","","","0.935","","","","has coordinates","272804","2022-02-05","17:06:27",""
"1566320","14.6146","0.0012","15.4871","0.0008","5.3576","0.0003","90","","90","","90","","1212.63","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H5 Cl N2 O2 S3 -","- C10 H5 Cl N2 O2 S3 -","- C40 H20 Cl4 N8 O8 S12 -","4","1","","Plakas, Konstantinos; Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with 2-(Phenylsulfonyl)acetonitrile","Molbank","2022","2022","1","M1322","","10.3390/M1322","","","1.54184","CuKα","","0.0524","0.0431","","","0.1073","0.1141","","","","","","1.211","","","","has coordinates","272805","2022-02-05","17:06:56",""
"1566321","8.058","0.003","9.064","0.003","34.864","0.012","90","","92.718","0.011","90","","2543.5","1.5","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C112 H96 Cl16 O16 -","8","2","","Aitken, R. Alan; Gidlow, Anna L. G.; Ramsewak, Russel S.; Slawin, Alexandra M. Z.","2,2′-(Ethane-1,2-diyl)bis(4-chlorophenol)","Molbank","2022","2022","1","M1318","","10.3390/M1318","","","0.71075","MoKα","","0.1042","0.0698","","","0.1756","0.1973","","","","","","1.06","","","","has coordinates","272806","2022-02-05","17:07:18",""
"1566322","7.9178","0.0001","8.1363","0.0001","20.5574","0.0003","90","","90","","90","","1324.34","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","1.54184","CuKα","","0.0416","0.041","","","0.1051","0.1057","","","","","","1.044","","","","has coordinates","272807","2022-02-05","18:44:19",""
"1566323","7.8835","0.0003","8.068","0.0003","20.1237","0.0008","90","","90","","90","","1279.95","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","0.71073","MoKα","","0.0467","0.0449","","","0.1061","0.1071","","","","","","1.041","","","","has coordinates","272808","2022-02-05","18:44:35",""
"1566331","8.4222","0.0001","8.6086","0.0001","15.573","0.0002","90","","93.674","0.001","90","","1126.77","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","You, Shiqi; Ruan, Mengyao; Lu, Cuifen; Liu, Li; Weng, Yue; Yang, Guichun; Wang, Shengchun; Alhumade, Hesham; Lei, Aiwen; Gao, Meng","Paired electrolysis enabled annulation for the quinolyl-modification of bioactive molecules","Chemical Science","2022","13","8","2310","2316","10.1039/D1SC06757E","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0717","0.0723","","","","","","1.04","","","","has coordinates","273349","2022-03-04","22:06:18",""
"1566332","27.8416","0.0011","13.6571","0.0005","25.0139","0.0008","90","","92.128","0.003","90","","9504.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H146 Cr Mo6 N3 O32 -","- C68 H146 Cr Mo6 N3 O32 -","- C272 H584 Cr4 Mo24 N12 O128 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","","0.71073","MoKα","","0.1172","0.085","","","0.165","0.1847","","","","","","1.169","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566333","13.052","0.0012","13.4949","0.0009","20.5929","0.001","90","","104.803","0.008","90","","3506.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H55 N O13.5 V3 -","- C26 H55 N O13.5 V3 -","- C104 H220 N4 O54 V12 -","4","1","","Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N","Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.","Chemical science","2022","13","10","2891","2899","10.1039/d1sc06326j","","x-ray","0.71073","MoKα","","0.1287","0.0857","","","0.2097","0.246","","","","","","1.054","","","","has coordinates,has disorder","274963","2022-05-05","20:25:40",""
"1566334","23.1838","0.0012","26.0619","0.0011","17.536","0.0007","90","","101.639","0.005","90","","10377.6","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.67 H59 B N2 Ni P2 -","- C34.6667 H59 B N2 Ni P2 -","- C416 H708 B12 N24 Ni12 P24 -","12","3","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.1464","0.0945","","","0.2577","0.3333","","","","","","1.026","","","","has coordinates","273350","2022-03-04","22:06:57",""
"1566335","9.5911","0.0005","9.8051","0.0006","19.1276","0.0007","90.444","0.004","94.813","0.004","117.164","0.005","1592.59","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 P2 Pd Si -","- C30 H50 P2 Pd Si -","- C60 H100 P4 Pd2 Si2 -","2","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0405","0.0314","","","0.0696","0.074","","","","","","1.03","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566336","10.5516","0.0006","11.9228","0.0009","13.7755","0.0012","103.985","0.007","111.062","0.007","90.654","0.005","1560","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","- C50 H94 B2 N6 Ni2 P4 -","1","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.1188","0.0794","","","0.2006","0.2239","","","","","","1.041","","","","has coordinates,has disorder","273350","2022-03-04","22:06:58",""
"1566337","12.5308","0.0004","15.0351","0.0004","15.989","0.0005","90","","103.614","0.003","90","","2927.72","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B N2 O2 P2 Pd -","- C26 H47 B N2 O2 P2 Pd -","- C104 H188 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","0.71073","MoKα","","0.0402","0.029","","","0.0605","0.0643","","","","","","1.067","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566338","26.0265","0.0008","26.0265","0.0008","26.0801","0.0008","90","","90","","120","","15299.3","0.8","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32 H52 B Cl N2 Ni P2 -","- C32 H52 B Cl N2 Ni P2 -","- C576 H936 B18 Cl18 N36 Ni18 P36 -","18","0.5","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0893","0.0658","","","0.1396","0.1546","","","","","","1.14","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566339","11.9139","0.0001","14.4308","0.0002","32.1655","0.0005","90","","90","","90","","5530.12","0.12","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 P2 Pd -","- C25 H47 B N2 P2 Pd -","- C200 H376 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0408","0.0364","","","0.0917","0.0946","","","","","","1.043","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566340","14.1193","0.0009","10.6583","0.0009","16.1923","0.0013","90","","95.636","0.007","90","","2425","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O3 S -","- C28 H28 O3 S -","- C112 H112 O12 S4 -","4","1","","Wang, Lihong; Ma, Ruiyang; Sun, Jiaqiong; Zheng, GuangFan; Zhang, Qian","NHCs and Visible Light-mediated Photoredox Co-catalyzed 1,4-Sulfonylacylation of 1,3-Enynes for Tetrasubstituted Allenyl Ketones","Chemical Science","2022","","","","","10.1039/D1SC06100C","","x-ray","0.71073","MoKα","","0.1045","0.0573","","","0.1243","0.1551","","","","","","1.026","","","","has coordinates","272903","2022-02-10","23:07:01",""
"1566341","12.804","0.007","13.813","0.008","13.807","0.008","90","","95.465","0.008","90","","2431","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl2 F6 N3 P Rh -","- C22 H23 Cl2 F6 N3 P Rh -","- C88 H92 Cl8 F24 N12 P4 Rh4 -","4","1","","Angoy, Marta; Jiménez, M. Victoria; Lahoz, Fernando J.; Vispe, Eugenio; Pérez-Torrente, Jesús J.","Polymerization of phenylacetylene catalyzed by rhodium(i) complexes with N-functionalized N-heterocyclic carbene ligands","Polymer Chemistry","2022","13","10","1411","1421","10.1039/D1PY01650D","","","0.71073","MoKα","","0.036","0.0305","","","0.0784","0.0812","","","","","","1.069","","","","has coordinates,has disorder","275067","2022-05-05","20:55:42",""
"1566346","12.5628","0.001","13.3264","0.0011","15.5838","0.0013","90","","106.231","0.002","90","","2505","0.4","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H77 B2 Na O6 -","- C52 H77 B2 Na O6 -","- C104 H154 B4 Na2 O12 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0847","0.0711","","","0.2001","0.2167","","","","","","1.048","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566347","13.312","0.0012","19.989","0.002","17.2387","0.0017","90","","96.574","0.003","90","","4556.9","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 B2 Cu N2 -","- C55 H65 B2 Cu N2 -","- C220 H260 B8 Cu4 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0674","0.0497","","","0.1254","0.1367","","","","","","1.032","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566348","13.3073","0.0013","20.5224","0.0019","17.1012","0.0015","90","","96.418","0.003","90","","4641","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 Ag B2 N2 -","- C55 H65 Ag B2 N2 -","- C220 H260 Ag4 B8 N8 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0517","0.0465","","","0.1149","0.1187","","","","","","1.073","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566349","21.161","0.004","17.679","0.004","25.912","0.005","90","","90","","90","","9694","3","177","2","177","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H65 Au B2 N2 -","- C55 H65 Au B2 N2 -","- C440 H520 Au8 B16 N16 -","8","1","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0469","0.0346","","","0.067","0.0804","","","","","","1.119","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566350","14.348","0.0015","9.7155","0.0007","20.1083","0.0019","90","","95.494","0.009","90","","2790.2","0.4","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 B N4 -","- C36 H33 B N4 -","- C144 H132 B4 N16 -","4","1","","Huang, Huanan; Liu, Lingxiu; Wang, Jianguo; Zhou, Ying; Hu, Huanan; Ye, Xinglin; Liu, Guochang; Xu, Zhixiong; Xu, Han; Yang, Wen; Wang, Yawei; Peng, You; Yang, Pinghua; Sun, Jianqi; Yan, Ping; Cao, Xiaohua; Tang, Ben Zhong","Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging","Chemical Science","2022","","","","","10.1039/D2SC00380E","","x-ray","1.54184","CuKα","","0.14","0.115","","","0.3236","0.3393","","","","","","1.058","","","","has coordinates","272936","2022-02-11","23:11:17",""
"1566351","8.1281","0.0004","14.6359","0.001","22.9977","0.0013","90","","93.688","0.005","90","","2730.2","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B N2 -","- C32 H23 B N2 -","- C128 H92 B4 N8 -","4","1","","Huang, Huanan; Liu, Lingxiu; Wang, Jianguo; Zhou, Ying; Hu, Huanan; Ye, Xinglin; Liu, Guochang; Xu, Zhixiong; Xu, Han; Yang, Wen; Wang, Yawei; Peng, You; Yang, Pinghua; Sun, Jianqi; Yan, Ping; Cao, Xiaohua; Tang, Ben Zhong","Aggregation caused quenching to aggregation induced emission transformation: a precise tuning based on BN-doped polycyclic aromatic hydrocarbons toward subcellular organelle specific imaging","Chemical Science","2022","","","","","10.1039/D2SC00380E","","x-ray","1.54184","CuKα","","0.1053","0.0933","","","0.2568","0.2696","","","","","","1.015","","","","has coordinates","272936","2022-02-11","23:11:18",""
"1566352","10.32624","0.00013","15.5828","0.0002","11.74267","0.00016","90","","106.113","0.0014","90","","1815.31","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 F N2 O4 -","- C17 H23 F N2 O4 -","- C68 H92 F4 N8 O16 -","4","2","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0307","0.0273","","","0.064","0.0687","","","","","","1.027","","","","has coordinates,has disorder","272951","2022-02-14","23:10:11",""
"1566353","11.8419","0.0001","11.8419","0.0001","27.2204","0.0001","90","","90","","120","","3305.73","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 61","P 61","169","","","","- C20 H31 F N2 O4 -","- C20 H31 F N2 O4 -","- C120 H186 F6 N12 O24 -","6","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0235","0.0232","","","0.0584","0.0586","","","","","","1.052","","","","has coordinates","272951","2022-02-14","23:10:12",""
"1566354","11.50004","0.00006","18.45454","0.0001","30.36728","0.00018","90","","90","","90","","6444.79","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 F N2 O4 -","- C20 H31 F N2 O4 -","- C240 H372 F12 N24 O48 -","12","3","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0764","0.0771","","","","","","1.046","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1566355","12.8885","0.0003","5.3127","0.0002","15.1705","0.0004","90","","95.058","0.002","90","","1034.72","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Cl F N2 O4 -","- C21 H24 Cl F N2 O4 -","- C42 H48 Cl2 F2 N4 O8 -","2","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0372","0.0361","","","0.0916","0.0927","","","","","","1.049","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1566356","11.84105","0.00005","11.84105","0.00005","27.02804","0.00015","90","","90","","120","","3281.9","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 61","P 61","169","","","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C120 H192 N12 O24 -","6","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0278","0.0276","","","0.0742","0.0744","","","","","","1.083","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1566357","5.185369","","8.997871","","7.347378","","91.7552","","105.095","","89.8358","","330.82","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-I","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","2","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272966","2022-02-15","19:03:53",""
"1566358","5.210756","","5.189703","","7.581904","","89.3723","","72.4369","","119.963","","166.073","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-II","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272967","2022-02-15","19:08:20",""
"1566359","5.162169","","5.176777","","7.781752","","104.444","","98.2915","","119.884","","165.438","","","","","","","","","","","","","4","P 1","P 1","1","","Kaolinite K-III","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","1","1","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272968","2022-02-15","19:11:34",""
"1566360","5.159081","","8.934001","","14.410312","","90","","96.3063","","90","","660.17","","","","","","","","","","","","","4","P 1","P 1","1","","Dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272969","2022-02-15","19:20:39",""
"1566361","5.185121","","8.939635","","14.188437","","90.001","","89.08","","89.9997","","657.593","","","","","","","","","","","","","4","P 1","P 1","1","","HP-dickite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272970","2022-02-15","19:24:07",""
"1566362","8.902908","","5.163177","","14.518933","","90.0004","","99.3478","","90","","658.533","","","","","","","","","","","","","4","P 1","P 1","1","","Nacrite","","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al8 H16 O36 Si8 -","4","4","","Richard, D; Rendtorff, N M","Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods","Applied Clay Science","2022","219","","106444","106444","10.1016/j.clay.2022.106444","","","","","","","","","","","","","","","","","","","","","has coordinates","272971","2022-02-15","19:26:18",""
"1566363","9.21581","0.00008","14.44752","0.00014","13.23644","0.00014","90","","91.4811","0.0009","90","","1761.78","0.03","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F4 N3 -","- C18 H21 F4 N3 -","- C72 H84 F16 N12 -","4","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Chemo- and regio-divergent access to fluorinated 1-alkyl and 1-acyl triazenes from alkynyl triazenes","Chemical Science","2022","","","","","10.1039/D2SC00294A","","x-ray","1.54184","CuKα","","0.0397","0.0378","","","0.1043","0.1065","","","","","","1.019","","","","has coordinates","272977","2022-02-15","23:09:52",""
"1566364","9.5957","0.0002","9.9111","0.0003","10.2433","0.0002","104.216","0.002","114.117","0.002","101.164","0.002","812.95","0.04","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N3 O -","- C15 H21 F2 N3 O -","- C30 H42 F4 N6 O2 -","2","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Chemo- and regio-divergent access to fluorinated 1-alkyl and 1-acyl triazenes from alkynyl triazenes","Chemical Science","2022","","","","","10.1039/D2SC00294A","","x-ray","1.54184","CuKα","","0.0378","0.0356","","","0.0931","0.0948","","","","","","1.06","","","","has coordinates","272977","2022-02-15","23:09:52",""
"1566365","10.5055","0.001","17.6861","0.0018","24.528","0.002","90","","90","","90","","4557.3","0.7","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 B2 Cs2 F2 N3 -","- C42 H71 B2 Cs2 F2 N3 -","- C168 H284 B8 Cs8 F8 N12 -","4","1","","Kirschner, Sven; Peters, Matthew; Yuan, Kang; Uzelac, Marina; Ingleson, Michael J.","Developing organoboranes as phase transfer catalysts for nucleophilic fluorination using CsF","Chemical Science","2022","","","","","10.1039/D2SC00303A","","","0.71073","MoKα","","0.0255","0.0235","","","0.0552","0.056","","","","","","1.067","","","","has coordinates","272978","2022-02-15","23:10:20",""
"1566366","11.684","0.0013","13.345","0.0015","25.013","0.003","75.152","0.001","84.913","0.001","87.753","0.001","3754.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H87.79 Cl4 Fe2 N12 O24.9 -","- C62 H87.792 Cl4 Fe2 N12 O24.896 -","- C124 H175.584 Cl8 Fe4 N24 O49.792 -","2","1","","Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence","Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH.","Faraday discussions","2022","234","0","109","128","10.1039/d1fd00066g","","","0.71073","MoKα","","0.1018","0.0575","","","0.1354","0.158","","","","","","1.023","","","","has coordinates,has disorder","275782","2022-06-06","01:46:15",""
"1566367","14.2183","0.0009","15.72","0.001","21.5627","0.0013","86.579","0.004","71.452","0.004","72.753","0.004","4360.5","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C152 H197 Cl8 D24 Fe4 N27 O48 -","- C152 H197 Cl8 D24 Fe4 N27 O48 -","- C152 H197 Cl8 D24 Fe4 N27 O48 -","1","0.5","","Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence","Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH.","Faraday discussions","2022","234","0","109","128","10.1039/d1fd00066g","","","1.54178","CuKα","","0.1626","0.0927","","","0.222","0.2686","","","","","","1.025","","","","has coordinates,has disorder","275782","2022-06-06","01:46:21",""
"1566368","27.9262","0.0012","11.108","0.0004","22.8446","0.001","90","","105.11","0.003","90","","6841.5","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H90 Cl3 Fe2 N10 O22 -","- C62 H90 Cl3 Fe2 N10 O22 -","- C248 H360 Cl12 Fe8 N40 O88 -","4","0.5","","Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence","Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH.","Faraday discussions","2022","234","0","109","128","10.1039/d1fd00066g","","","1.54178","CuKα","","0.1486","0.087","","","0.225","0.2707","","","","","","1.03","","","","has coordinates,has disorder","275782","2022-06-06","01:46:33",""
"1566369","9.16551","0.00016","10.4822","0.0002","17.5734","0.0004","90","","90","","90","","1688.36","0.06","293","0.02","293","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Wang, Jianhua; Li, Xiaoxun","Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.","Chemical science","2022","13","10","3020","3026","10.1039/d1sc07237d","","x-ray","1.54184","CuKα","","0.0422","0.0396","","","0.1004","0.1025","","","","","","1.098","","","","has coordinates","274965","2022-05-05","20:26:27",""
"1566370","26.1589","0.0015","26.1589","0.0015","148.875","0.012","90","","90","","120","","88225","10","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C432 H471 Ag38 Au43 Cl12 -","- C432 H471 Ag38 Au43 Cl12 -","- C2592 H2826 Ag228 Au258 Cl72 -","6","0.333333","","Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan","Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters","Chemical Science","2022","","","","","10.1039/D1SC07178E","","x-ray","1.34139","GaKα","","0.1317","0.0714","","","0.178","0.216","","","","","","1.014","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1566371","25.413","0.002","25.542","0.002","28.705","0.003","77.099","0.003","83.178","0.003","73.626","0.003","17394","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C324 H251 Ag38 Au43 Cl9 -","- C324 H251 Ag38 Au43 Cl9 -","- C648 H502 Ag76 Au86 Cl18 -","2","1","","Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan","Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters","Chemical Science","2022","","","","","10.1039/D1SC07178E","","x-ray","0.71073","MoKα","","0.2172","0.0912","","","0.1983","0.2526","","","","","","1.053","","","","has coordinates","273011","2022-02-17","23:13:43",""
"1566372","18.9562","0.0018","19.6527","0.0018","33.671","0.003","78.295","0.003","79.704","0.003","63.881","0.002","10971.5","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H168 Ag20 Au24 Cl4 -","- C216 H168 Ag20 Au24 Cl4 -","- C432 H336 Ag40 Au48 Cl8 -","2","1","","Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan","Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters","Chemical Science","2022","","","","","10.1039/D1SC07178E","","","0.71073","MoKα","","0.143","0.0882","","","0.222","0.2571","","","","","","1.025","","","","has coordinates","273011","2022-02-17","23:13:44",""
"1566373","19.2914","0.0015","24.9197","0.0018","34.987","0.003","97.077","0.002","105.131","0.002","100.118","0.002","15729","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C288 H312 Ag20 Au24 Cl2 -","- C288 H312 Ag20 Au24 Cl2 -","- C576 H624 Ag40 Au48 Cl4 -","2","1","","Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan","Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters","Chemical Science","2022","","","","","10.1039/D1SC07178E","","","0.71073","MoKα","","0.1685","0.0741","","","0.1757","0.2228","","","","","","0.964","","","","has coordinates,has disorder","273011","2022-02-17","23:13:44",""
"1566374","9.5487","0.0004","11.4141","0.0004","15.0254","0.0006","107.486","0.002","94.791","0.002","111.423","0.002","1419.16","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II)","Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II)","","- C28 H16 Cl4 Ni S4 -","- C28 H16 Cl4 Ni S4 -","- C56 H32 Cl8 Ni2 S8 -","2","1","GG4008","Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II)","IUCrData","2022","7","2","x220148","","10.1107/S2414314622001481","","","0.71073","MoKα","","0.0625","0.0404","","","0.0976","0.112","","","","","","1.026","","","","has coordinates,has Fobs","273019","2022-02-18","03:22:37",""
"1566375","36.615","0.0018","8.0709","0.0003","36.282","0.003","90","","90.863","0.005","90","","10720.7","1.1","120","2","120","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","13,13'-Bi(dibenzo[<i>b</i>,<i>i</i>]fluorenylidene)","","- C42 H24 -","- C42 H24 -","- C672 H384 -","16","2","BT4120","Schollmeyer, Dieter; Detert, Heiner","13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene)","IUCrData","2022","7","2","x220169","","10.1107/S2414314622001699","","","0.71073","MoKα","","0.1459","0.0723","","","0.182","0.2281","","","","","","1.033","","","","has coordinates,has Fobs","273020","2022-02-18","03:23:15",""
"1566376","7.3409","0.0003","8.2378","0.0003","14.1911","0.0006","77.242","0.001","85.133","0.002","77.261","0.001","815.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Co N3 O -","- C15 H19 Cl2 Co N3 O -","- C30 H38 Cl4 Co2 N6 O2 -","2","1","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0193","0.0184","","","0.0467","0.0475","","","","","","1.029","","","","has coordinates","274940","2022-05-05","20:18:26",""
"1566377","16.65","0.0009","24.8705","0.0012","7.9667","0.0005","90","","90.49","0.002","90","","3298.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cl2 Co N3 -","- C15 H21 Cl2 Co N3 -","- C120 H168 Cl16 Co8 N24 -","8","2","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0481","0.0439","","","0.0834","0.0855","","","","","","1.132","","","","has coordinates","274940","2022-05-05","20:18:27",""
"1566378","10.4026","0.0018","21.482","0.004","25.657","0.005","90","","90","","90","","5733.5","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S,S)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C264 H224 F48 S16 -","8","2","","Kim, Alexia; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-Catalyzed Asymmetric trans-Selective Hydrogenation of 1,3-Disubstituted Isoquinolines","Chemical Science","2022","","","","","10.1039/D1SC06729J","","","0.71073","MoKα","","0.3307","0.0802","","","0.1793","0.2835","","","","","","0.825","","","","has coordinates","273034","2022-02-18","23:12:12",""
"1566379","10.209","0.0004","10.4618","0.0005","21.8559","0.001","82.284","0.004","82.051","0.004","87.374","0.003","2290.06","0.18","270","0.17","270","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 F8 Fe N18 -","- C42 H34 B2 F8 Fe N18 -","- C84 H68 B4 F16 Fe2 N36 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0854","0.0732","","","0.209","0.2253","","","","","","1.042","","","","has coordinates","273036","2022-02-18","23:15:30",""
"1566380","9.8259","0.0004","10.8645","0.0004","22.6056","0.001","101.98","0.003","91.87","0.003","91.858","0.003","2357.51","0.17","159.99","0.11","159.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 F12 Fe N18 P2 -","- C42 H34 F12 Fe N18 P2 -","- C84 H68 F24 Fe2 N36 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0487","0.0458","","","0.1185","0.1215","","","","","","1.037","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566381","10.1555","0.0002","18.7976","0.0006","24.3818","0.0005","90","","99.376","0.002","90","","4592.3","0.2","269.98","0.12","269.98","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 B2 F8 Fe N18 -","- C42 H34 B2 F8 Fe N18 -","- C168 H136 B8 F32 Fe4 N72 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0829","0.0602","","","0.1683","0.1898","","","","","","1.018","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566382","9.9994","0.0004","11.0389","0.0004","22.5035","0.0009","102.939","0.003","90.267","0.003","90.662","0.003","2420.69","0.17","264.98","0.18","264.98","0.18","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 F12 Fe N18 P2 -","- C42 H34 F12 Fe N18 P2 -","- C84 H68 F24 Fe2 N36 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0605","0.0529","","","0.1439","0.1516","","","","","","1.039","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566383","22.0537","0.0002","9.5781","0.0001","22.3969","0.0003","90","","98.891","0.001","90","","4674.11","0.09","149","1","149","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H42 B2 F8 Fe N14 -","- C46 H42 B2 F8 Fe N14 -","- C184 H168 B8 F32 Fe4 N56 -","4","0.5","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.09","0.0908","","","","","","1.043","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566384","10.2889","0.0005","18.9461","0.0011","22.8834","0.0009","90","","95.792","0.004","90","","4438","0.4","349.98","0.18","349.98","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 B2 F8 Fe N14 -","- C42 H34 B2 F8 Fe N14 -","- C168 H136 B8 F32 Fe4 N56 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.1379","0.1138","","","0.3034","0.3377","","","","","","1.204","","","","has coordinates","273036","2022-02-18","23:15:33",""
"1566385","9.82","0.0004","10.0724","0.0004","22.5535","0.0012","92.684","0.004","100.135","0.004","94.567","0.003","2184.8","0.17","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 F8 Fe N18 -","- C42 H34 B2 F8 Fe N18 -","- C84 H68 B4 F16 Fe2 N36 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0796","0.0693","","","0.1818","0.1936","","","","","","1.032","","","","has coordinates","273036","2022-02-18","23:15:33",""
"1566386","10.4294","0.0005","18.5284","0.0011","24.7378","0.0008","90","","99.669","0.004","90","","4712.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B2 F8 Fe N14 -","- C46 H38 B2 F8 Fe N14 -","- C184 H152 B8 F32 Fe4 N56 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.1088","0.0614","","","0.1417","0.171","","","","","","1.012","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566387","10.2254","0.0004","10.1492","0.0006","21.6116","0.0006","96.133","0.003","94.628","0.003","93.979","0.004","2215.84","0.17","330","0.15","330","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 F8 Fe N14 -","- C42 H34 B2 F8 Fe N14 -","- C84 H68 B4 F16 Fe2 N28 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0819","0.0719","","","0.2011","0.2128","","","","","","1.056","","","","has coordinates","273036","2022-02-18","23:15:33",""
"1566388","10.1721","0.0005","11.3235","0.0003","22.3862","0.0007","104.374","0.003","88.492","0.003","88.975","0.003","2496.15","0.16","365","0.3","365","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 F12 Fe N18 P2 -","- C42 H34 F12 Fe N18 P2 -","- C84 H68 F24 Fe2 N36 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0713","0.0554","","","0.1615","0.1778","","","","","","1.061","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566389","9.9373","0.0005","10.241","0.0004","22.3677","0.0014","81.92","0.004","80.061","0.005","85.898","0.004","2217.3","0.2","159.98","0.11","159.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 F8 Fe N18 -","- C42 H34 B2 F8 Fe N18 -","- C84 H68 B4 F16 Fe2 N36 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0791","0.0676","","","0.1844","0.1968","","","","","","1.041","","","","has coordinates","273036","2022-02-18","23:15:33",""
"1566390","20.4712","0.0002","17.3086","0.0001","18.6657","0.0002","90","","113.286","0.001","90","","6075.04","0.11","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 B2 F8 Fe N10 O -","- C24 H24 B2 F8 Fe N10 O -","- C192 H192 B16 F64 Fe8 N80 O8 -","8","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0334","0.0315","","","0.0832","0.0847","","","","","","1.03","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566391","12.4569","0.0002","16.5431","0.0003","23.9335","0.0004","90","","98.279","0.002","90","","4880.71","0.15","249.99","0.11","249.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 F12 Fe N18 P2 -","- C42 H34 F12 Fe N18 P2 -","- C168 H136 F48 Fe4 N72 P8 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0688","0.0564","","","0.1539","0.1654","","","","","","1.044","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566392","14.9529","0.0003","14.8247","0.0003","21.0093","0.0003","90","","95.4899","0.0017","90","","4635.82","0.15","298","0.13","298","0.13","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H34 F12 Fe N14 P2 -","- C42 H34 F12 Fe N14 P2 -","- C168 H136 F48 Fe4 N56 P8 -","4","0.5","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0686","0.0623","","","0.1888","0.1981","","","","","","1.072","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1566393","9.8578","0.0005","10.9457","0.0006","22.5606","0.0012","100.301","0.004","91.468","0.004","93.516","0.004","2388.9","0.2","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 F12 Fe N14 P2 -","- C46 H38 F12 Fe N14 P2 -","- C92 H76 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0815","0.0693","","","0.1744","0.1905","","","","","","1.054","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566394","9.9764","0.0002","18.0458","0.0003","24.6253","0.0004","90","","97.592","0.002","90","","4394.48","0.14","80","0.6","80","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 B2 F8 Fe N18 -","- C42 H34 B2 F8 Fe N18 -","- C168 H136 B8 F32 Fe4 N72 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0623","0.053","","","0.1418","0.1501","","","","","","1.023","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566395","9.0523","0.0003","30.808","0.0009","18.3037","0.0009","90","","102.668","0.004","90","","4980.3","0.3","135","0.13","135","0.13","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C184 H168 F48 Fe4 N56 P8 -","4","2","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0614","0.0512","","","0.1307","0.1367","","","","","","0.997","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1566396","9.55236","0.00016","18.1504","0.0003","15.00388","0.00019","90","","102.111","0.0014","90","","2543.46","0.07","189.99","0.15","189.99","0.15","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C92 H84 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0477","0.0442","","","0.1178","0.1216","","","","","","1.043","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566397","14.8052","0.0007","14.8052","0.0007","19.695","0.002","90","","90","","120","","3738.7","0.5","80.1","0.7","80.1","0.7","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C42 H34 F12 Fe N14 P2 S4 -","- C42 H34 F12 Fe N14 P2 S4 -","- C126 H102 F36 Fe3 N42 P6 S12 -","3","0.5","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0763","0.0609","","","0.1481","0.1571","","","","","","1.13","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1566398","10.2078","0.0002","11.4083","0.0002","21.4035","0.0004","97.221","0.002","96.811","0.002","93.568","0.002","2447.76","0.08","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 F12 Fe N14 P2 -","- C46 H38 F12 Fe N14 P2 -","- C92 H76 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0436","0.0412","","","0.1082","0.1106","","","","","","1.085","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566399","10.2076","0.0003","18.9941","0.0009","22.8634","0.0008","90","","96.403","0.003","90","","4405.2","0.3","300","0.2","300","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 B2 F8 Fe N14 -","- C42 H34 B2 F8 Fe N14 -","- C168 H136 B8 F32 Fe4 N56 -","4","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.1197","0.0982","","","0.2572","0.2914","","","","","","1.077","","","","has coordinates","273036","2022-02-18","23:15:34",""
"1566400","9.45496","0.00009","17.9858","0.00015","14.95322","0.00014","90","","101.545","0.0009","90","","2491.42","0.04","80","0.5","80","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H42 F12 Fe N14 P2 -","- C46 H42 F12 Fe N14 P2 -","- C92 H84 F24 Fe2 N28 P4 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0358","0.0355","","","0.0918","0.0923","","","","","","1.039","","","","has coordinates,has disorder","273036","2022-02-18","23:15:34",""
"1566401","10.0861","0.0003","10.1542","0.0003","21.849","0.0006","96.262","0.002","96.2","0.002","93.852","0.002","2204.26","0.11","249.99","0.15","249.99","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B2 F8 Fe N14 -","- C42 H34 B2 F8 Fe N14 -","- C84 H68 B4 F16 Fe2 N28 -","2","1","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.0739","0.0717","","","0.2196","0.2237","","","","","","1.077","","","","has coordinates","273036","2022-02-18","23:15:35",""
"1566402","9.8294","0.0006","22.3967","0.0007","22.3209","0.001","79.439","0.003","89.335","0.004","89.19","0.004","4829.9","0.4","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 F12 Fe N14 P2 -","- C46 H38 F12 Fe N14 P2 -","- C184 H152 F48 Fe4 N56 P8 -","4","2","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.1111","0.074","","","0.1818","0.2099","","","","","","1.064","","","","has coordinates,has disorder","273036","2022-02-18","23:15:35",""
"1566403","12.1115","0.0002","10.6282","0.0002","17.4772","0.0003","90","","127.723","0.001","90","","1779.48","0.06","293","","293","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminobenzimidazolium) sulfate monohydrate","","- C14 H18 N6 O5 S -","- C14 H18 N6 O5 S -","- C56 H72 N24 O20 S4 -","4","1","HB4397","Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina","Bis(2-aminobenzimidazolium) sulfate monohydrate","IUCrData","2022","7","2","x220172","","10.1107/S2414314622001729","","x-ray","0.71073","MoKα","","0.0922","0.0408","","0.1178","0.0496","0.0496","","","","","","1.0344","","","","has coordinates,has Fobs","273128","2022-02-23","03:24:08",""
"1566404","10.9625","0.0016","9.5991","0.0014","14.075","0.002","90","","97.804","0.004","90","","1467.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H31 F O5 -","- C37 H31 F O5 -","- C74 H62 F2 O10 -","2","1","","Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin","Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes","Chemical Science","2022","","","","","10.1039/D1SC06364B","","","1.54178","CuKα","","0.0258","0.0258","","","0.0638","0.0638","","","","","","1.057","","","","has coordinates","273131","2022-02-23","23:10:15",""
"1566405","15.0488","0.0007","25.2228","0.0012","8.6864","0.0004","90","","90","","90","","3297.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H34 O8 -","- C38 H34 O8 -","- C152 H136 O32 -","4","1","","Wu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; Lu, Yixin","Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenes","Chemical Science","2022","","","","","10.1039/D1SC06364B","","","1.54178","CuKα","","0.0271","0.0271","","","0.071","0.071","","","","","","1.062","","","","has coordinates","273131","2022-02-23","23:10:16",""
"1566406","5.1224","0.0002","8.268","0.0003","24.1637","0.001","90","","90","","90","","1023.38","0.07","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl F N O2 -","- C10 H11 Cl F N O2 -","- C40 H44 Cl4 F4 N4 O8 -","4","1","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.0257","0.0247","","","0.0593","0.0598","","","","","","1.049","","","","has coordinates","274964","2022-05-05","20:26:19",""
"1566407","9.4276","0.0003","19.5575","0.0005","50.822","0.002","90","","93.634","0.004","90","","9351.7","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl F7 N4 O2 S -","- C22 H18 Cl F7 N4 O2 S -","- C352 H288 Cl16 F112 N64 O32 S16 -","16","4","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.1739","0.1375","","","0.3251","0.3445","","","","","","1.1828","","","","has coordinates,has disorder","274964","2022-05-05","20:26:19",""
"1566408","8.7883","0.0001","12.6773","0.0002","10.4803","0.0002","90","","99.097","0.001","90","","1152.94","0.03","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0314","0.0314","","","0.0844","0.0845","","","","","","1.046","","","","has coordinates","273146","2022-02-24","23:10:03",""
"1566409","19.7377","0.0002","9.5738","0.0001","7.613","0.0001","90","","99.09","0.001","90","","1420.52","0.03","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Br N O -","- C17 H18 Br N O -","- C68 H72 Br4 N4 O4 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0734","0.074","","","","","","1.079","","","","has coordinates","273146","2022-02-24","23:10:03",""
"1566410","7.2763","0.0001","13.1879","0.0001","12.6095","0.0001","90","","94.179","0.001","90","","1206.78","0.02","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0441","0.0433","","","0.1102","0.1109","","","","","","1.038","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566411","7.2466","0.0002","8.3731","0.0002","12.6472","0.0003","95.047","0.002","96.626","0.002","94.254","0.002","756.54","0.03","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C36 H42 N2 O4 -","2","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0423","0.0406","","","0.1064","0.1077","","","","","","1.033","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566412","12.196","0.0005","6.2725","0.0002","13.2067","0.0007","90","","97.53","0.004","90","","1001.59","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H32 O2 -","- C25 H32 O2 -","- C50 H64 O4 -","2","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0874","0.0858","","","0.2572","0.2587","","","","","","1.083","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566413","6.55952","0.00019","7.19955","0.00014","33.374","0.0006","90","","90","","90","","1576.11","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0425","0.0392","","","0.1032","0.1052","","","","","","1.078","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566414","38.805","0.005","6.6795","0.0009","16.442","0.002","90","","91.833","0.002","90","","4259.6","0.9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","kk00_24","","","- C20 H22 N4 S2 Zn -","- C20 H22 N4 S2 Zn -","- C160 H176 N32 S16 Zn8 -","8","2","","Koskela, Kristopher M.; Quiton, Stephen J.; Sharada, Shaama Mallikarjun; Williams, Travis J.; Brutchey, Richard L.","Kinetics and mechanistic details of bulk ZnO dissolution using a thiol–imidazole system","Chemical Science","2022","","","","","10.1039/D1SC06667F","","","0.71073","MoKα","","0.0414","0.0395","","","0.1094","0.1104","","","","","","1.109","","","","has coordinates,has disorder","273166","2022-02-25","23:08:46",""
"1566415","12.1327","0.0015","17.926","0.0018","22.865","0.003","90","","103.927","0.004","90","","4826.7","1","110","2","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H120 B20 Co2 Cs2 O4 P4 -","- C92 H120 B20 Co2 Cs2 O4 P4 -","- C184 H240 B40 Co4 Cs4 O8 P8 -","2","0.5","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.0454","0.0344","","","0.0844","0.0898","","","","","","1.027","","","","has coordinates","273167","2022-02-25","23:10:55",""
"1566416","70.509","0.006","17.5517","0.0016","23.4008","0.0019","90","","108.146","0.004","90","","27519","4","110","2","109.97","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C254 H332 B60 Co4 N7 O14 P12 Th2 -","- C254 H320 B60 Co4 N7 O14 P12 Th2 -","- C1016 H1280 B240 Co16 N28 O56 P48 Th8 -","4","0.5","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.0749","0.0493","","","0.1232","0.136","","","","","","1.051","","","","has coordinates,has disorder","273167","2022-02-25","23:10:56",""
"1566417","19.004","0.006","23.285","0.007","36.829","0.012","90","","90","","90","","16297","9","110","2","110","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C154 H129 B30 Co3 N8 Nd O6 P6 -","- C154 H114 B30 Co3 N8 Nd O6 P6 -","- C616 H456 B120 Co12 N32 Nd4 O24 P24 -","4","0.5","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.1308","0.0939","","","0.2423","0.275","","","","","","1.039","","","","has coordinates,has disorder","273167","2022-02-25","23:10:56",""
"1566418","11.082","0.003","11.112","0.003","37.623","0.01","93.075","0.004","96.139","0.004","101.822","0.004","4495","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 B10 N O2 P2 -","- C42 H67 B10 N O2 P2 -","- C168 H268 B40 N4 O8 P8 -","4","2","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.1579","0.1081","","","0.2651","0.2988","","","","","","1.024","","","","has coordinates","273167","2022-02-25","23:10:56",""
"1566419","19.0168","0.0013","23.3163","0.0015","36.48","0.002","90","","90.563","0.003","90","","16174.5","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C154 H204 B30 Co3 N8 O6 P6 Sm -","- C154 H204 B30 Co3 N8 O6 P6 Sm -","- C616 H816 B120 Co12 N32 O24 P24 Sm4 -","4","1","","Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel","Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes","Chemical Science","2022","","","","","10.1039/D1SC07070C","","","0.71073","MoKα","","0.1322","0.1066","","","0.2342","0.2497","","","","","","1.111","","","","has coordinates,has disorder","273167","2022-02-25","23:10:56",""
"1566420","9.1233","0.0002","11.1747","0.0002","13.3729","0.0003","92.8956","0.0018","109.796","0.002","90.2891","0.0018","1280.81","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 N O6 S Si -","- C25 H33 N O6 S Si -","- C50 H66 N2 O12 S2 Si2 -","2","1","","Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel","Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes","Chemical Science","2022","","","","","10.1039/D2SC00203E","","","1.54184","CuKα","","0.0445","0.0383","","","0.0978","0.1017","","","","","","1.083","","","","has coordinates","273168","2022-02-25","23:12:27",""
"1566421","8.6905","0.0001","16.3296","0.0001","11.4842","0.0001","90","","98.168","0.001","90","","1613.22","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O4 Si -","- C16 H22 O4 Si -","- C64 H88 O16 Si4 -","4","1","","Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel","Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes","Chemical Science","2022","","","","","10.1039/D2SC00203E","","","1.54178","CuKα","","0.0342","0.0331","","","0.0899","0.0906","","","","","","1.087","","","","has coordinates","273168","2022-02-25","23:12:27",""
"1566422","45.775","0.009","5.703","0.0011","18.31","0.004","90","","99.58","0.03","90","","4713.3","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C184 H232 N8 O48 S8 Si8 -","8","1","","Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel","Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes","Chemical Science","2022","","","","","10.1039/D2SC00203E","","","0.71073","Synchrotron","","0.1642","0.1241","","","0.3823","0.4207","","","","","","1.085","","","","has coordinates","273168","2022-02-25","23:12:27",""
"1566423","8.92","0.0018","18.338","0.004","14.723","0.003","90","","99.61","0.03","90","","2374.5","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 N O5 S Si -","- C23 H29 N O5 S Si -","- C92 H116 N4 O20 S4 Si4 -","4","2","","Bunyamin, Amanda; Hua, Carol; Polyzos, Anastasios; Priebbenow, Daniel","Intramolecular Photochemical [2+1]-Cycloadditions of Nucleophilic Siloxy Carbenes","Chemical Science","2022","","","","","10.1039/D2SC00203E","","","0.71073","Synchrotron","","0.05","0.0465","","","0.1244","0.131","","","","","","1.072","","","","has coordinates","273168","2022-02-25","23:12:28",""
"1566424","9.7089","0.0008","14.351","0.0012","14.2749","0.0015","90","","106.946","0.01","90","","1902.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C92 H76 N4 O20 -","4","1","HB4401","Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","IUCrData","2022","7","2","x220199","","10.1107/S2414314622001997","","","0.71073","MoKα","","0.0729","0.046","","","0.133","0.1567","","","","","","0.952","","","","has coordinates,has Fobs","273176","2022-02-26","03:16:08",""
"1566425","11.5857","0.0006","7.0616","0.0004","16.6118","0.0009","90","","108.222","0.002","90","","1290.92","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C40 H52 Cl4 N12 O12 P4 -","4","1","TX4001","Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","IUCrData","2022","7","2","x220189","","10.1107/S2414314622001894","","","1.54178","CuKα","","0.045","0.0424","","","0.1252","0.1291","","","","","","1.109","","","","has coordinates,has Fobs","273177","2022-02-26","03:16:32",""
"1566426","8.8793","0.0002","13.4651","0.0003","16.2393","0.0003","90","","94.659","0.002","90","","1935.17","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 O3 S2 -","- C21 H17 F3 O3 S2 -","- C84 H68 F12 O12 S8 -","4","1","","Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua","Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium","Chemical Science","2022","","","","","10.1039/D2SC00341D","","x-ray","1.54184","CuKα","","0.047","0.0456","","","0.1181","0.1194","","","","","","1.062","","","","has coordinates,has disorder","273193","2022-03-01","23:12:23",""
"1566427","10.0094","0.0004","10.0094","0.0004","42.946","0.002","90","","90","","120","","3726.2","0.3","219.99","0.1","219.99","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H29 N O S -","- C30 H29 N O S -","- C180 H174 N6 O6 S6 -","6","1","","Zhang, Qiu-Chi; Xue, Xiaoping; Hong, Biqiong; Gu, Zhenhua","Torsional Strain Inversed Chemoselectivity in Pd-Catalyzed Atroposelective Carboxylation Reaction of Dibenzothiophenium","Chemical Science","2022","","","","","10.1039/D2SC00341D","","x-ray","1.54184","CuKα","","0.0471","0.0436","","","0.106","0.1089","","","","","","1.09","","","","has coordinates","273193","2022-03-01","23:12:24",""
"1566428","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0287","0.0283","","","0.0633","0.0633","","","","","","2.281","","","","has coordinates","273207","2022-03-02","03:20:35",""
"1566429","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0304","0.0285","","","0.0635","0.0637","","","","","","2.25","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566430","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0315","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566431","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0184","","","0.0304","0.0306","","","","","","1.0897","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566432","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0321","0.0324","","","","","","1.1517","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566433","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.1103","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566434","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0185","","","0.0303","0.0306","","","","","","1.088","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566435","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0187","0.0183","","","0.03","0.0301","","","","","","1.093","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566436","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0308","0.031","","","","","","1.105","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566437","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.141","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566438","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0313","0.0316","","","","","","1.124","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566439","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0213","0.0194","","","0.0329","0.0331","","","","","","1.179","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566440","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0208","0.0189","","","0.0314","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566441","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0309","0.0311","","","","","","1.109","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566442","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566443","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.112","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566444","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0202","0.0183","","","0.0301","0.0303","","","","","","1.078","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566445","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.118","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566446","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.032","0.0322","","","","","","1.147","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566447","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566448","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.14","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566449","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0319","0.0322","","","","","","1.145","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566450","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0397","0.0406","","","","","","1.4968","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566451","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0398","0.0407","","","","","","1.5005","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566452","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.04","0.0409","","","","","","1.508","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566453","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0396","0.0405","","","","","","1.4948","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566454","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0394","0.0403","","","","","","1.487","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566456","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.502","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566457","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0484","0.0344","","","0.0399","0.0408","","","","","","1.505","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566458","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566459","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0486","0.0346","","","0.0402","0.0411","","","","","","1.516","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566460","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566461","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0397","0.0406","","","","","","1.496","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566462","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0396","0.0405","","","","","","1.494","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566463","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0397","0.0406","","","","","","1.497","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566464","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0395","0.0404","","","","","","1.49","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566465","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566466","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0485","0.0346","","","0.0403","0.0412","","","","","","1.52","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566467","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0169","0.0151","","","0.0304","0.0305","","","","","","2.6817","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566468","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.029","0.0291","","","","","","2.5592","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566469","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0171","0.0153","","","0.0311","0.0311","","","","","","2.7402","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566470","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","15.15","","14.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.0295","0.0296","","","","","","2.5998","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566471","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0166","0.0148","","","0.0284","0.0285","","","","","","2.504","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566472","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0147","0.0147","","","0.0284","0.0284","","","","","","2.6","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566473","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0171","0.0153","","","0.0302","0.0303","","","","","","2.662","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566474","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0178","0.016","","","0.0318","0.0319","","","","","","2.807","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566475","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0172","0.0154","","","0.0302","0.0303","","","","","","2.667","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566476","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0181","0.0163","","","0.0325","0.0326","","","","","","2.868","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566477","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0173","0.0155","","","0.0305","0.0305","","","","","","2.687","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566478","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0169","0.0151","","","0.0293","0.0294","","","","","","2.585","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566479","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0172","0.0153","","","0.0299","0.03","","","","","","2.638","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566480","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.017","0.0152","","","0.0295","0.0296","","","","","","2.603","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566481","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0164","0.0145","","","0.0277","0.0278","","","","","","2.448","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566482","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0173","0.0155","","","0.0306","0.0307","","","","","","2.699","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566483","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.3532","synchrotron","","0.0181","0.0163","","","0.033","0.0331","","","","","","2.914","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566484","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0157","0.0126","","","0.0211","0.0218","","","","","","0.6903","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566485","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0154","0.0123","","","0.0205","0.0212","","","","","","0.6735","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566486","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0127","","","0.0215","0.0222","","","","","","0.7026","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566487","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0155","0.0123","","","0.0207","0.0214","","","","","","0.6794","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566488","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0156","0.0124","","","0.0207","0.0214","","","","","","0.68","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566489","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0164","0.0133","","","0.0222","0.0228","","","","","","0.726","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566490","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0126","","","0.0213","0.022","","","","","","0.697","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566491","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0161","0.0129","","","0.0217","0.0224","","","","","","0.709","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566492","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0128","","","0.0215","0.0222","","","","","","0.704","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566493","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0166","0.0135","","","0.0229","0.0235","","","","","","0.747","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566494","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.016","0.0129","","","0.0216","0.0223","","","","","","0.708","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566495","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0157","0.0126","","","0.0211","0.0218","","","","","","0.692","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566496","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0127","","","0.0214","0.0221","","","","","","0.701","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566497","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0126","","","0.0212","0.0219","","","","","","0.694","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566498","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0154","0.0122","","","0.0205","0.0212","","","","","","0.672","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566499","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0127","","","0.0213","0.022","","","","","","0.698","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566500","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0162","0.013","","","0.0219","0.0226","","","","","","0.715","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566501","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.026","0.0151","","","0.0216","0.0216","","","","","","2.3133","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566502","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0248","0.0138","","","0.018","0.018","","","","","","1.9273","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566503","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0262","0.0152","","","0.0221","0.0221","","","","","","2.3617","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566504","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.026","0.015","","","0.0212","0.0212","","","","","","2.2661","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566505","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0214","0.0105","","","0.0133","0.0133","","","","","","1.4453","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566506","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0283","0.0138","","","0.0174","0.0174","","","","","","1.882","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566507","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0256","0.0112","","","0.014","0.014","","","","","","1.516","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566508","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0249","0.0105","","","0.0132","0.0133","","","","","","1.438","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566509","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123.15","","123","","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0218","0.0109","","","0.014","0.014","","","","","","1.5201","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566510","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0141","","","0.0179","0.0179","","","","","","1.937","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566511","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.029","0.0145","","","0.0188","0.0188","","","","","","2.032","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566512","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0182","","","","","","1.952","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566513","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0294","0.0149","","","0.0195","0.0196","","","","","","2.099","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566514","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0288","0.0142","","","0.0183","0.0183","","","","","","1.975","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566515","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0285","0.014","","","0.0178","0.0178","","","","","","1.915","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566516","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.018","0.018","","","","","","1.929","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566517","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0286","0.014","","","0.0179","0.0179","","","","","","1.924","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566518","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0284","0.0138","","","0.0176","0.0176","","","","","","1.886","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566519","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0287","0.0142","","","0.0181","0.0181","","","","","","1.957","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566520","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.5996","synchrotron","","0.0292","0.0146","","","0.0196","0.0196","","","","","","2.125","","","","has coordinates","273207","2022-03-02","03:20:38",""
"1566521","20.2894","0.0006","20.2894","0.0006","13.6577","0.0005","90","","90","","120","","4869.1","0.3","120.01","","120.01","","","","","","","","","5","P 31","P 31","144","","","","- C64 H86 Cl2 N6 O6 -","- C64 H86 Cl2 N6 O6 -","- C192 H258 Cl6 N18 O18 -","3","1","","Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M.","Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation","Chemical Science","2022","","","","","10.1039/D2SC00207H","","","0.71073","MoKα","","0.1001","0.0699","","","0.182","0.2123","","","","","","1.052","","","","has coordinates,has disorder","273210","2022-03-02","23:09:37",""
"1566522","20.366","","20.366","","13.791","","90","","90","","120","","4953.79","","120","","120","","","","","","","","","4","R 3 :H","R 3","146","","","","- C69 H96 N6 O6 -","- C68.9994 H95.9988 N6 O6 -","- C206.998 H287.996 N18 O18 -","3","0.333333","","Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M.","Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation","Chemical Science","2022","","","","","10.1039/D2SC00207H","","","1.54184","CuKα","","0.0381","0.0381","","","0.1073","0.1073","","","","","","1.102","","","","has coordinates,has disorder","273210","2022-03-02","23:09:38",""
"1566523","20.3338","0.0003","20.3338","0.0003","13.7372","0.0004","90","","90","","120","","4918.88","0.18","120","","120","","","","","","","","","4","R 3 :H","R 3","146","","","","- C66 H90 N6 O6 -","- C66.0006 H90.0012 N6 O6 -","- C198.002 H270.004 N18 O18 -","3","0.333333","","Ding, Yanjun; Alimi, Lukman O.; Du, Jing; Hua, Bin; Dey, Avishek; Yu, Pei; Khashab, Niveen M.","Pillar[3]trianglamines: deeper cavity triangular macrocycles for selective hexene isomer separation","Chemical Science","2022","","","","","10.1039/D2SC00207H","","","1.54178","CuKα","","0.0708","0.0708","","","0.2055","0.2056","","","","","","1.074","","","","has coordinates,has disorder","273210","2022-03-02","23:09:38",""
"1566524","10.4552","0.0004","11.9732","0.0004","14.9227","0.0005","93.2189","0.0014","97.3354","0.0014","107.995","0.0014","1753.06","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H104 Ga2 N8 Sb2 -","- C74 H104 Ga2 N8 Sb2 -","- C74 H104 Ga2 N8 Sb2 -","1","0.5","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0219","0.0191","","","0.0525","0.0543","","","","","","1.079","","","","has coordinates","273286","2022-03-03","23:12:59",""
"1566525","59.557","0.006","11.8135","0.0012","21.011","0.002","90","","108.078","0.003","90","","14053","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H102 Ga2 N4 O2 Sb2 Si -","- C66 H102 Ga2 N4 O2 Sb2 Si -","- C528 H816 Ga16 N32 O16 Sb16 Si8 -","8","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0995","0.0755","","","0.1676","0.1812","","","","","","1.125","","","","has coordinates,has disorder","273286","2022-03-03","23:12:59",""
"1566526","10.919","0.002","14.343","0.003","26.014","0.006","83.994","0.015","78.718","0.01","88.053","0.01","3973","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H116 Ga2 N6 Sb2 Si -","- C78 H116 Ga2 N6 Sb2 Si -","- C156 H232 Ga4 N12 Sb4 Si2 -","2","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0628","0.0402","","","0.0841","0.0942","","","","","","1.063","","","","has coordinates,has disorder","273286","2022-03-03","23:12:59",""
"1566527","19.7547","0.0017","10.5843","0.0009","33.512","0.003","90","","96.97","0.004","90","","6955.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H98 Cl2 Ga2 N4 Sb2 Si -","- C64.5 H98 Cl2 Ga2 N4 Sb2 Si -","- C258 H392 Cl8 Ga8 N16 Sb8 Si4 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","1.54178","CuKα","","0.0454","0.0359","","","0.0847","0.0902","","","","","","1.028","","","","has coordinates,has disorder","273286","2022-03-03","23:13:00",""
"1566528","19.9634","0.001","12.5667","0.0007","29.4717","0.0015","90","","109.028","0.0016","90","","6989.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71.5 H103 Ga2 N7 Sb2 -","- C68 H99 Ga2 N7 Sb2 -","- C272 H396 Ga8 N28 Sb8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0431","0.0283","","","0.063","0.0687","","","","","","1.084","","","","has coordinates","273286","2022-03-03","23:13:00",""
"1566529","10.7967","0.0017","21.163","0.003","15.164","0.002","90","","96.979","0.003","90","","3439.2","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H103 Ga2 N7 Sb2 Si -","- C65 H103 Ga2 N7 Sb2 Si -","- C130 H206 Ga4 N14 Sb4 Si2 -","2","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0413","0.0323","","","0.0658","0.0689","","","","","","1.036","","","","has coordinates","273286","2022-03-03","23:13:00",""
"1566530","10.9672","0.0011","45.894","0.005","15.2335","0.0016","90","","94.502","0.005","90","","7643.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H117 Ga2 N7 Sb2 -","- C79 H117 Ga2 N7 Sb2 -","- C316 H468 Ga8 N28 Sb8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0713","0.0646","","","0.1299","0.1323","","","","","","1.368","","","","has coordinates","273286","2022-03-03","23:13:00",""
"1566531","10.6581","0.0005","12.7136","0.0006","27.5744","0.0013","102.129","0.002","92.993","0.002","98.869","0.003","3595.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72.5 H102 F3 Ga2 N7 Sb2 -","- C72.5 H102 F3 Ga2 N7 Sb2 -","- C145 H204 F6 Ga4 N14 Sb4 -","2","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.072","0.0457","","","0.1082","0.1266","","","","","","1.132","","","","has coordinates,has disorder","273286","2022-03-03","23:13:00",""
"1566532","12.1758","0.001","27.211","0.002","24.248","0.002","90","","99.805","0.003","90","","7916.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H119 F3 Ga2 N7 Sb2 -","- C78 H119 F3 Ga2 N7 Sb2 -","- C312 H476 F12 Ga8 N28 Sb8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","1.54178","CuKα","","0.0398","0.0322","","","0.0824","0.0893","","","","","","1.051","","","","has coordinates,has disorder","273286","2022-03-03","23:13:00",""
"1566533","11.889","0.002","18.46","0.004","33.366","0.007","90","","96.36","0.011","90","","7278","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H110 Ga2 N8 Sb2 Si2 -","- C66 H107 Ga2 N7 Sb2 Si2 -","- C264 H428 Ga8 N28 Sb8 Si8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0615","0.0404","","","0.0794","0.0866","","","","","","1.041","","","","has coordinates,has disorder","273286","2022-03-03","23:13:00",""
"1566534","11.6222","0.0009","17.8727","0.0014","19.5796","0.0016","108.099","0.004","90.076","0.004","93.817","0.004","3856.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H112 Ga2 N8 Sb2 -","- C81 H112 Ga2 N8 Sb2 -","- C162 H224 Ga4 N16 Sb4 -","2","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.072","0.0393","","","0.0747","0.0856","","","","","","1.031","","","","has coordinates","273286","2022-03-03","23:13:01",""
"1566535","13.6969","0.0016","28.763","0.003","20.711","0.003","90","","94.587","0.005","90","","8133.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H110 Ga2 N8 Sb2 -","- C77 H110 Ga2 N8 Sb2 -","- C308 H440 Ga8 N32 Sb8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","0.71073","MoKα","","0.0462","0.0299","","","0.0674","0.0752","","","","","","1.06","","","","has coordinates","273286","2022-03-03","23:13:01",""
"1566536","12.0886","0.0004","12.3645","0.0004","14.1831","0.0009","86.028","0.005","75.849","0.004","74.786","0.002","1983.54","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H108 Ga2 N6 Sb4 -","- C84 H108 Ga2 N6 Sb4 -","- C84 H108 Ga2 N6 Sb4 -","1","0.5","","Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan","Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides","Chemical Science","2022","","","","","10.1039/D2SC00314G","","","1.54178","CuKα","","0.0235","0.023","","","0.0623","0.0627","","","","","","1.049","","","","has coordinates","273286","2022-03-03","23:13:01",""
"1566537","12.6141","0.0002","12.2041","0.0002","27.463","0.0005","90","","98.846","0.002","90","","4177.47","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ru2(NCCH3)(u-H)(Me2dad)(dbcot)2]PF6","","- C44 H45 F6 N6 P Ru2 -","- C44 H45 F6 N6 P Ru2 -","- C176 H180 F24 N24 P4 Ru8 -","4","1","","Bellini, Marco; Bösken, Jonas; Bartoli, Francesco; Miller, Hamish; Thöny, Debora; Poggini, Lorenzo; Wörle, Michael; Oberhauser, Werner; Gamboa-Carballo, Juan José; Lavacchi, Alessandro; Krumeich, Frank; Grützmacher, Hansjörg; Vizza, Francesco","Remarkable Stability of a Molecular Ruthenium Complex in PEM Water Electrolysis","Chemical Science","2022","","","","","10.1039/D1SC07234J","","x-ray","0.71073","MoKα","K-L~3~","0.0621","0.0462","","","0.0981","0.1032","","","","","","1.232","","","","has coordinates","273287","2022-03-03","23:14:57",""
"1566538","9.5469","0.0001","10.1082","0.0002","17.4002","0.0003","78.96","0.001","76.819","0.001","85.773","0.001","1603.87","0.05","100.01","0.11","100.01","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 B F4 N2 O Ru2 -","- C36 H35 B F4 N2 O Ru2 -","- C72 H70 B2 F8 N4 O2 Ru4 -","2","1","","Bellini, Marco; Bösken, Jonas; Bartoli, Francesco; Miller, Hamish; Thöny, Debora; Poggini, Lorenzo; Wörle, Michael; Oberhauser, Werner; Gamboa-Carballo, Juan José; Lavacchi, Alessandro; Krumeich, Frank; Grützmacher, Hansjörg; Vizza, Francesco","Remarkable Stability of a Molecular Ruthenium Complex in PEM Water Electrolysis","Chemical Science","2022","","","","","10.1039/D1SC07234J","","","1.54184","CuKα","","0.0465","0.0434","","","0.0952","0.0969","","","","","","1.074","","","","has coordinates","273287","2022-03-03","23:14:58",""
"1566539","35.402","0.005","9.1778","0.0013","17.961","0.003","90","","110.844","0.006","90","","5453.8","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H33 N -","- C37 H33 N -","- C296 H264 N8 -","8","1","","Duan, Shengzu; Zi, Yujin; Wang, Lingling; Cong, Jielun; Chen, Wen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick","α-Branched Amines through Radical Coupling with 2-Azaallyl Anions, Redox Active Esters and Alkenes","Chemical Science","2022","","","","","10.1039/D2SC00500J","","","1.54178","CuKα","","0.073","0.0598","","","0.1647","0.179","","","","","","1.082","","","","has coordinates,has disorder","273288","2022-03-03","23:15:30",""
"1566540","15.287","0.005","15.859","0.005","17.629","0.006","90","","114.523","0.005","90","","3888","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl F3 N3 O2 -","- C21 H15 Cl F3 N3 O2 -","- C168 H120 Cl8 F24 N24 O16 -","8","2","","Yang, Hefei; Wang, Le-Cheng; Zhang, Yu; Zheng, Dongling; Chen, Zhengkai; Wu, Xiao-Feng","Controllable access to trifluoromethyl-containing indoles and indolines: Palladium-catalyzed regioselective functionalization of unactivated alkenes with trifluoroacetimidoyl chlorides","Chemical Science","2022","","","","","10.1039/D2SC00546H","","","0.71073","MoKα","","0.1066","0.0562","","","0.1554","0.187","","","","","","1.026","","","","has coordinates","273289","2022-03-03","23:16:06",""
"1566541","15.6657","0.0019","33.014","0.004","7.2436","0.0009","90","","98.651","0.002","90","","3703.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F3 N3 O -","- C22 H15 F3 N3 O -","- C176 H120 F24 N24 O8 -","8","2","","Yang, Hefei; Wang, Le-Cheng; Zhang, Yu; Zheng, Dongling; Chen, Zhengkai; Wu, Xiao-Feng","Controllable access to trifluoromethyl-containing indoles and indolines: Palladium-catalyzed regioselective functionalization of unactivated alkenes with trifluoroacetimidoyl chlorides","Chemical Science","2022","","","","","10.1039/D2SC00546H","","","0.71073","MoKα","","0.1678","0.0789","","","0.2188","0.2743","","","","","","1.088","","","","has coordinates","273289","2022-03-03","23:16:07",""
"1566542","32.5182","0.0019","32.5182","0.0019","51.424","0.004","90","","90","","120","","47092","5","100","0.1","100","0.1","","","","","","","","4","P 3 c 1","P 3 -2""c","158","CPOC-302-Pro","","","- C492 H528 N48 O60 -","- C432 H384 N24 O48 -","- C864 H768 N48 O96 -","2","0.333333","","Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang","Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis","Chemical Science","2022","","","","","10.1039/D2SC00395C","","","1.54184","CuKα","","0.4055","0.122","","","0.2206","0.3757","","","","","","0.793","","","","has coordinates","273290","2022-03-03","23:17:25",""
"1566543","28.4101","0.0012","30.2731","0.0013","32.7364","0.0015","82.444","0.004","81.795","0.004","63.273","0.004","24818","2","100","0.13","100","0.13","","","","","","","","4","P 1","P 1","1","","","","- C280 H320 N32 O40 -","- C192 H104 N24 O32 -","- C384 H208 N48 O64 -","2","2","","Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang","Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis","Chemical Science","2022","","","","","10.1039/D2SC00395C","","","1.54184","CuKα","","0.35","0.2292","","","0.4808","0.5579","","","","","","1.377","","","","has coordinates","273290","2022-03-03","23:17:26",""
"1566544","16.1127","0.0006","8.9758","0.0003","19.2463","0.0007","90","","103.825","0.0013","90","","2702.85","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br Cl Cu N6 O2 -","- C28 H28 Br Cl Cu N6 O2 -","- C112 H112 Br4 Cl4 Cu4 N24 O8 -","4","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0394","0.0287","","","0.0652","0.0709","","","","","","1.017","","","","has coordinates","273294","2022-03-04","00:22:03",""
"1566545","15.0147","0.0007","34.2629","0.0015","10.2999","0.0004","90","","107.565","0.003","90","","5051.7","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl Cu N6 O1.5 -","- C28 H28 Cl Cu N6 O1.5 -","- C224 H224 Cl8 Cu8 N48 O12 -","8","2","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.1017","0.0472","","","0.1058","0.1203","","","","","","1.019","","","","has coordinates","273295","2022-03-04","00:22:32",""
"1566546","7.2313","0.001","9.2604","0.0013","14.1201","0.0019","78.16","0.006","77.214","0.006","70.423","0.006","859.9","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","1","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.1154","0.0753","","","0.15","0.1779","","","","","","1.057","","","","has coordinates","273296","2022-03-04","00:22:50",""
"1566547","9.7632","0.0013","15.6735","0.0015","19.622","0.002","87.172","0.003","75.925","0.005","85.319","0.004","2901.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H63 Br2 Cl N14 Ni O4 -","- C60 H63 Br2 Cl N14 Ni O4 -","- C120 H126 Br4 Cl2 N28 Ni2 O8 -","2","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0436","0.0331","","","0.0778","0.0833","","","","","","1.022","","","","has coordinates","273297","2022-03-04","00:23:12",""
"1566548","37.667","0.006","10.5159","0.0016","19.22","0.003","90","","118.948","0.004","90","","6661.9","1.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl Cu N8 O3 -","- C33 H39 Cl Cu N8 O3 -","- C264 H312 Cl8 Cu8 N64 O24 -","8","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0884","0.0457","","","0.0931","0.1086","","","","","","1.011","","","","has coordinates,has disorder","273298","2022-03-04","00:23:39",""
"1566549","12.22","0.002","12.7328","0.0019","16.424","0.0015","76.485","0.005","82.598","0.005","67.698","0.008","2296.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Br N6 O -","- C26 H23 Br N6 O -","- C104 H92 Br4 N24 O4 -","4","2","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0661","0.0373","","","0.0853","0.0928","","","","","","1.043","","","","has coordinates","273299","2022-03-04","00:24:04",""
"1566550","7.7366","0.0008","7.9072","0.0008","10.7395","0.0011","99.872","0.004","102.594","0.004","113.64","0.004","562.21","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C24 H32 N4 O4 -","2","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0616","0.0436","","","0.1149","0.1232","","","","","","1.083","","","","has coordinates","273300","2022-03-04","00:24:27",""
"1566551","7.18","0.002","4.628","0.0011","48.944","0.012","90","","92.55","0.03","90","","1624.8","0.7","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H29 N O -","- C17 H29 N O -","- C34 H58 N2 O2 -","2","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","x-ray","1.54178","CuKα","","0.1288","0.0987","","","0.2885","0.3282","","","","","","0.994","","","","has coordinates","273301","2022-03-04","00:30:03",""
"1566552","12.37896","0.00019","5.01515","0.00014","13.9105","0.0003","90","","99.1891","0.0016","90","","852.51","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O3 -","- C17 H31 N O3 -","- C34 H62 N2 O6 -","2","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","x-ray","1.54184","CuKα","","0.0325","0.0321","","","0.0885","0.0892","","","","","","1.042","","","","has coordinates","273302","2022-03-04","00:30:29",""
"1566553","5.1556","0.0001","9.493","0.0001","31.8376","0.0004","90","","90","","90","","1558.2","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","","1.54178","CuKα","","0.0336","0.0333","","","0.0845","0.0847","","","","","","1.109","","","","has coordinates","273303","2022-03-04","00:31:08",""
"1566554","5.0809","0.0001","9.5095","0.0002","31.1268","0.0006","90","","90","","90","","1503.95","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","","1.54178","CuKα","","0.043","0.0409","","","0.1291","0.1318","","","","","","1.051","","","","has coordinates","273304","2022-03-04","00:31:32",""
"1566555","9.3577","0.0008","25.184","0.002","9.0558","0.0009","90","","96.873","0.009","90","","2118.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O8 S -","- C21 H22 O8 S -","- C84 H88 O32 S4 -","4","1","","Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming","Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152.","Journal of natural products","2022","85","2","433","440","10.1021/acs.jnatprod.1c01158","","","1.54184","CuKα","","0.0794","0.0579","","","0.1476","0.1673","","","","","","1.026","","","","has coordinates","273305","2022-03-04","00:31:56",""
"1566556","8.2204","0.0007","8.5993","0.0007","13.4964","0.0011","90","","90","","90","","954.06","0.14","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","","Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming","Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152.","Journal of natural products","2022","85","2","433","440","10.1021/acs.jnatprod.1c01158","","","0.71073","MoKα","","0.0308","0.0279","","","0.0711","0.073","","","","","","1.068","","","","has coordinates","273306","2022-03-04","00:32:23",""
"1566557","8.1509","0.0007","10.0095","0.0008","12.0777","0.0012","106.945","0.008","90.36","0.007","90.567","0.007","942.51","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O8 S -","- C19 H20 O8 S -","- C38 H40 O16 S2 -","2","1","","Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming","Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152.","Journal of natural products","2022","85","2","433","440","10.1021/acs.jnatprod.1c01158","","","1.54184","CuKα","","0.0607","0.0451","","","0.1177","0.13","","","","","","1.027","","","","has coordinates","273307","2022-03-04","00:32:59",""
"1566558","8.1167","0.0007","9.0623","0.0008","15.8947","0.0012","86.54","0.007","87.286","0.007","65.417","0.009","1060.92","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O9 S -","- C21 H22 O9 S -","- C42 H44 O18 S2 -","2","1","","Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming","Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152.","Journal of natural products","2022","85","2","433","440","10.1021/acs.jnatprod.1c01158","","","1.54184","CuKα","","0.0729","0.0499","","","0.1192","0.138","","","","","","1.024","","","","has coordinates","273308","2022-03-04","00:33:23",""
"1566559","11.6212","","3.4067","","7.3247","","90","","99.9889","","90","","285.589","","298","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Bi O2 -","- Bi O2 -","- Bi4 O8 -","4","1","","Feng, Xuezhen; Zou, Haiyuan; Zheng, Renji; Wei, Wenfei; Wang, Ranhao; Zou, Wensong; Lim, Gukhyun; Hong, Jihyun; Duan, Lele; Chen, Hong","Bi<sub>2</sub>O<sub>3</sub>/BiO<sub>2</sub> Nanoheterojunction for Highly Efficient Electrocatalytic CO<sub>2</sub> Reduction to Formate.","Nano letters","2022","22","4","1656","1664","10.1021/acs.nanolett.1c04683","","","","","","","","","","","","","","","","","","","","","has coordinates","273318","2022-03-04","01:54:46",""
"1566560","7.4224","0.0013","7.4518","0.0011","8.4986","0.0016","105.726","0.007","97.426","0.009","112.383","0.007","403.85","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","4-[Amino(iminiumyl)methyl]pyridin-1-ium hexachloridostannate(IV) dihydrate","","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","1","0.5","HB4399","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","x220195","","10.1107/S241431462200195X","","","0.71073","MoKα","","0.0753","0.0458","","","0.0779","0.0852","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","273320","2022-03-04","03:16:04",""
"1566561","7.4624","0.0002","8.4715","0.0002","10.1324","0.0002","101.434","0.001","90.043","0.001","107.554","0.001","597.34","0.02","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","1","0.5","BH4066","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","","","10.1107/S2414314622001912","","","0.71073","MoKα","","0.029","0.0252","","","0.054","0.0566","","","","","","1.021","","","","has coordinates,has Fobs","273321","2022-03-04","03:16:22",""
"1566562","11.7462","0.0009","39.197","0.003","15.6529","0.0015","90","","107.882","0.004","90","","6858.7","1","150","2","150.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Au2 O4 P2 S2 -","- C34 H38 Au2 O4 P2 S2 -","- C272 H304 Au16 O32 P16 S16 -","8","2","","Duminy, Welni; Pillay, Michael N.; van Zyl, Werner E.","Silver(I) and Gold(I) Monothiocarbonate Complexes: Synthesis, Structure, Luminescence","Inorganics","2022","10","2","19","","10.3390/inorganics10020019","","","0.71073","MoKα","","0.1174","0.0952","","","0.2167","0.227","","","","","","1.158","","","","has coordinates","273447","2022-03-05","08:54:43",""
"1566563","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.0584","0.0472","","","0.127","0.1347","","","","","","1.056","","","","has coordinates","273448","2022-03-05","15:26:52",""
"1566564","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","571","2","571.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.21 H1.21 O0.6 -","- C1.20755 H1.20755 O0.603774 -","- C64 H64 O32 -","53","13.25","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.2213","0.2096","","","0.5221","0.5358","","","","","","2.602","","","","has coordinates","273449","2022-03-05","15:27:23",""
"1566565","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13.25 H13.25 O13.25 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.222","0.2094","","","0.5205","0.5347","","","","","","2.56","","","","has coordinates","273450","2022-03-05","15:28:01",""
"1566566","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","296.3","0.3","296.3","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","x-ray","0.71073","MoKα","","0.0566","0.0455","","","0.1177","0.1256","","","","","","1.011","","","","has coordinates","273451","2022-03-05","15:28:46",""
"1566567","7.8563","0.0008","9.2517","0.001","21.803","0.002","95.923","0.003","98.136","0.002","96.538","0.003","1547.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","JG1582","","- C36 H31 N5 O -","- C36 H31 N5 O -","- C72 H62 N10 O2 -","2","1","","Guillon, Jean; Savrimoutou, Solène; Albenque-Rubio, Sandra; Pinaud, Noël; Moreau, Stéphane; Desplat, Vanessa","Synthesis, Crystal Structure and Anti-Leukemic Activity of 1,3-Dihydro-1-{1-[4-(4-phenylpyrrolo[1,2-a]quinoxalin-3-yl)benzyl]piperidin-4-yl}-2H-benzimidazol-2-one","Molbank","2022","2022","1","M1333","","10.3390/M1333","","","0.71073","MoKα","","0.1386","0.0696","","","0.183","0.2094","","","","","","1.026","","","","has coordinates","273452","2022-03-05","17:43:10",""
"1566568","17.127","0.01","19.946","0.011","23.841","0.014","90","","105.715","0.007","90","","7840","8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Cu4 O2 P6 -","- C80 H110 Cu4 O2 P6 -","- C320 H440 Cu16 O8 P24 -","4","1","","Dannenberg, Steven G.; Waterman, Rory","Cyclo-Tetrakis(μ-diphenylphosphido)-1,5-bis(tri-tert-butylphosphine)-Tetracopper","Molbank","2022","2022","1","M1334","","10.3390/M1334","","x-ray","0.71073","MoKα","","0.0533","0.0332","","","0.0787","0.0839","","","","","","0.951","","","","has coordinates","273453","2022-03-05","17:43:40",""
"1566569","10.5912","0.0005","18.7089","0.0006","16.071","0.0006","90","","102.093","0.004","90","","3113.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl4 I N2 S -","- C27 H36 Cl I N2 S -","- C108 H144 Cl4 I4 N8 S4 -","4","1","","Saab, Marina; Nahra, Fady; Van Hecke, Kristof","Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride","Molbank","2022","2022","1","M1344","","10.3390/M1344","","","1.54184","CuKα","","0.1","0.0628","","","0.1552","0.1758","","","","","","1.015","","","","has coordinates","273454","2022-03-05","17:44:11",""
"1566570","9.741","0.0001","16.9218","0.0001","19.8068","0.0002","90","","97.399","0.001","90","","3237.67","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl3 I N2 Se -","- C30 H42 Cl3 I N2 Se -","- C120 H168 Cl12 I4 N8 Se4 -","4","1","","Saab, Marina; Nahra, Fady; Van Hecke, Kristof","Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride","Molbank","2022","2022","1","M1344","","10.3390/M1344","","x-ray","1.54184","CuKα","","0.0329","0.0284","","","0.0673","0.0697","","","","","","1.036","","","","has coordinates","273455","2022-03-05","17:44:38",""
"1566571","9.6243","0.0003","9.859","0.0002","12.5952","0.0003","68.645","0.002","72.467","0.002","75.23","0.002","1047.06","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 7-acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a- hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate","","- C20 H24 N6 O4 -","- C20 H24 N6 O4 -","- C40 H48 N12 O8 -","2","1","","Lopes, Susana M. M.; Lemos, Américo; Paixão, José A.; Pinho e Melo, Teresa M. V. D.","Ethyl 7-Acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a-hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate","Molbank","2022","2022","1","M1338","","10.3390/M1338","","","0.71073","MoKα","","0.0931","0.0465","","","0.1115","0.1359","","","","","","1.002","","","","has coordinates,has disorder","273456","2022-03-05","17:45:02",""
"1566572","10.1989","0.0005","8.7455","0.0004","15.8721","0.0009","90","","99.068","0.005","90","","1398.01","0.12","298","0.1","298","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O12 -","- C26 H31 N O12 -","- C52 H62 N2 O24 -","2","1","","Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V.","(1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate","Molbank","2022","2022","1","M1337","","10.3390/M1337","","","0.71073","MoKα","","0.0959","0.0458","","","0.1076","0.1185","","","","","","0.795","","","","has coordinates,has disorder","273457","2022-03-05","17:45:26",""
"1566573","9.4547","0.0005","16.2237","0.0008","7.9004","0.0004","90","","104.169","0.003","90","","1174.98","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 -","- C13 H13 Cl N2 -","- C52 H52 Cl4 N8 -","4","1","","Adeleke, Adesola A.; Omondi, Bernard","Crystal Structure of a Chiral Sec-Amine, 4-Chloro-N-(1-(pyridin-2-yl)ethyl)aniline","Molbank","2022","2022","1","M1335","","10.3390/M1335","","","0.71073","MoKα","","0.0375","0.0332","","","0.08","0.0829","","","","","","1.101","","","","has coordinates","273458","2022-03-05","17:45:49",""
"1566574","23.794","0.0011","5.347","0.0003","8.9367","0.0005","90","","96.216","0.004","90","","1130.3","0.1","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C44 H40 N16 O12 -","4","1","","Pokhodylo, Nazariy T.; Slyvka, Yuriy I.; Goreshnik, Evgeny A.; Obushak, Mykola D.","Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation","Molbank","2022","2022","1","M1340","","10.3390/M1340","","","1.54184","CuKα","","0.0347","0.0332","","","0.0887","0.0904","","","","","","1.072","","","","has coordinates","273459","2022-03-05","17:46:16",""
"1566575","6.9863","0.0003","23.7443","0.0011","10.6564","0.0005","90","","100.456","0.001","90","","1738.38","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Co N2 O12 -","- C14 H16 Co N2 O12 -","- C56 H64 Co4 N8 O48 -","4","1","","Xia, Zhengyao; Li, Yan; Ji, Cheng; Jiang, Yucheng; Ma, Chunlan; Gao, Ju; Zhang, Jinlei","Slow-Relaxation Behavior of a Mononuclear Co(II) Complex Featuring Long Axial Co-O Bond.","Nanomaterials (Basel, Switzerland)","2022","12","4","707","","10.3390/nano12040707","","","0.71073","MoKα","","0.0334","0.0278","","","0.0646","0.0667","","","","","","1.085","","","","has coordinates","273460","2022-03-05","19:56:06",""
"1566576","25.398","0.006","21.296","0.005","11.522","0.003","90","","96.49","0.01","90","","6192","3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81 B N2 O4 -","- C66 H73 B N2 O2 -","- C264 H292 B4 N8 O8 -","4","1","","Han, Jianmei; Huang, Zhongyan; Miao, Jingsheng; Qiu, Yuntao; Xie, Ziyang; Yang, Chuluo","Narrowband blue emission with insensitivity to the doping concentration from an oxygen-bridged triarylboron-based TADF emitter: nondoped OLEDs with a high external quantum efficiency up to 21.4%","Chemical Science","2022","","","","","10.1039/D2SC00329E","","x-ray","1.54178","CuKα","","0.1033","0.0919","","","0.2572","0.2688","","","","","","1.04","","","","has coordinates,has disorder","273462","2022-03-05","23:08:40",""
"1566577","8.5852","0.0003","23.581","0.0007","12.2292","0.0004","90","","92.515","0.003","90","","2473.39","0.14","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 Cl N2 P2 Re -","- C20 H46 Cl N2 P2 Re -","- C80 H184 Cl4 N8 P8 Re4 -","4","1","","Connor, Gannon P.; Delony, Daniel; Weber, Jeremy E.; Mercado, Brandon Q.; Curley, Julia B.; Schneider, Sven; Mayer, James M.; Holland, Patrick L.","Facile conversion of ammonia to a nitride in a rhenium system that cleaves dinitrogen","Chemical Science","2022","","","","","10.1039/D1SC04503B","","","0.71073","MoKα","","0.0383","0.029","","","0.0621","0.0647","","","","","","1.008","","","","has coordinates","273463","2022-03-05","23:10:39",""
"1566578","12.2681","0.0005","15.3208","0.0006","17.9247","0.0008","92.777","0.003","109.357","0.004","97.022","0.003","3140.5","0.2","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H67 B Cl F24 N3 O0.5 P2 Re -","- C54 H67 B Cl F24 N3 O0.5 P2 Re -","- C108 H134 B2 Cl2 F48 N6 O P4 Re2 -","2","1","","Connor, Gannon P.; Delony, Daniel; Weber, Jeremy E.; Mercado, Brandon Q.; Curley, Julia B.; Schneider, Sven; Mayer, James M.; Holland, Patrick L.","Facile conversion of ammonia to a nitride in a rhenium system that cleaves dinitrogen","Chemical Science","2022","","","","","10.1039/D1SC04503B","","","1.54184","CuKα","","0.0826","0.055","","","0.118","0.1329","","","","","","1.039","","","","has coordinates,has disorder","273463","2022-03-05","23:10:46",""
"1566579","10.0087","0.0002","10.0087","0.0002","12.7456","0.0004","90","","90","","90","","1276.78","0.05","100","2","100","2","","","","","","","","3","P 41","P 4w","76","","","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","","Pan, Aaron; Chojnacka, Maja; Crowley, Robert; Göttemann, Lucas; Haines, Brandon E.; Kou, Kevin G. M.","Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers","Chemical Science","2022","","","","","10.1039/D1SC06422C","","","0.71073","MoKα","","0.069","0.0459","","","0.0942","0.1022","","","","","","1.022","","","","has coordinates,has disorder","273536","2022-03-08","23:08:00",""
"1566580","23.3674","0.0003","23.7497","0.0004","38.3998","0.0005","73.33","0.001","75.236","0.001","73.633","0.001","19233.6","0.5","150","","150","0.11","","","","","","","","8","P -1","-P 1","2","","1","","- C261 H476 Ag55 Cu3 F3 Mo8 O38 S43 -","- C261 H472 Ag55 Cu3 F3 Mo8 O38 S43 -","- C522 H944 Ag110 Cu6 F6 Mo16 O76 S86 -","2","1","","Gao, Jin-Ping; Qi, Zhikai; Zhang, Fu-Qiang; Zhang, Xian-Ming","In situ insertion of copper to form heteroanionic D3h-symmetric [Cu3Mo8O32]10− for a templated Ag55 nanocluster","Nanoscale","2022","","","","","10.1039/D2NR00078D","","x-ray","1.54184","CuKα","","0.1428","0.1023","","","0.2827","0.3083","","","","","","1.029","","","","has coordinates,has disorder","273543","2022-03-09","01:01:45",""
"1566581","33.3132","0.0005","14.4948","0.0002","31.7714","0.0005","90","","102.245","0.002","90","","14992.4","0.4","100","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68.39 H67.65 Cl6 N12 O4 Zn3 -","- C68.3618 H66.5897 Cl6 N12 O4 Zn3 -","- C546.894 H532.718 Cl48 N96 O32 Zn24 -","8","1","LT5046","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1001","0.086","","","0.2275","0.2347","","","","","","1.088","","","","has coordinates,has disorder","273583","2022-03-10","03:10:39",""
"1566582","33.306","0.0013","14.488","0.0004","31.8026","0.0011","90","","102.247","0.004","90","","14996.7","0.9","100.01","0.1","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68.62 H68.92 Cl6 N12 O4 Zn3 -","- C68.774 H69.234 Cl6 N12 O4 Zn3 -","- C550.192 H553.872 Cl48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","CuKβ","","0.1257","0.0738","","","0.1901","0.254","","","","","","1.049","","","","has coordinates,has disorder","273583","2022-03-10","03:10:43",""
"1566583","34.4866","0.0013","14.9746","0.0006","31.0009","0.0012","90","","101.933","0.004","90","","15663.6","1.1","100","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H43 I6 N12 O4 Zn3 -","- C54.5 H43 I6 N12 O4 Zn3 -","- C436 H344 I48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1393","0.1227","","","0.3415","0.3555","","","","","","1.066","","","","has coordinates,has disorder","273583","2022-03-10","03:10:45",""
"1566584","34.4862","0.0008","15.0052","0.0004","31.125","0.0007","90","","101.958","0.002","90","","15756.8","0.7","100.01","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H42 I6 N12 O4 Zn3 -","- C54.9998 H41.9996 I6 N12 O4 Zn3 -","- C439.998 H335.997 I48 N96 O32 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","CuKβ","","0.1783","0.1233","","","0.3944","0.4217","","","","","","1.165","","","","has coordinates,has disorder","273583","2022-03-10","03:10:48",""
"1566585","34.5713","0.0005","15.1587","0.0003","29.5198","0.0005","90","","100.649","0.0014","90","","15203.6","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H78 I6 N12 Zn3 -","- C63 H78 I6 N12 Zn3 -","- C504 H624 I48 N96 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.54184","CuKα","","0.1024","0.0942","","","0.2452","0.2507","","","","","","1.09","","","","has coordinates,has disorder","273583","2022-03-10","03:10:49",""
"1566586","34.595","0.0006","15.1725","0.0003","29.535","0.0004","90","","100.647","0.0015","90","","15235.8","0.5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.69 H81.39 I6 N12 Zn3 -","- C64.692 H81.384 I6 N12 Zn3 -","- C517.536 H651.072 I48 N96 Zn24 -","8","1","","Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael","The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges","IUCrJ","2022","9","3","","","10.1107/S2052252522002147","","","1.39222","","","0.1111","0.0869","","","0.1699","0.1796","","","","","","1.167","","","","has coordinates,has disorder","273583","2022-03-10","03:10:49",""
"1566587","15.2479","0.0002","19.58181","0.00019","16.7407","0.0003","90","","116.095","0.0019","90","","4488.95","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 F3 N2 O3 S -","- C25 H21 F3 N2 O3 S -","- C200 H168 F24 N16 O24 S8 -","8","2","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.0557","0.0474","","","0.1294","0.1377","","","","","","1.039","","","","has coordinates","273621","2022-03-10","23:19:18",""
"1566588","29.3277","0.0009","7.49483","0.00019","18.2663","0.0006","90","","124.382","0.005","90","","3313.6","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H32 F3 N O5 S -","- C36 H32 F3 N O5 S -","- C144 H128 F12 N4 O20 S4 -","4","1","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1436","0.1521","","","","","","1.043","","","","has coordinates,has disorder","273621","2022-03-10","23:19:19",""
"1566589","11.1324","0.0007","7.5493","0.0006","16.7445","0.0013","90","","90.526","0.007","90","","1407.18","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 Cl N O2 -","- C33 H34 Cl N O2 -","- C66 H68 Cl2 N2 O4 -","2","1","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.0629","0.0505","","","0.1279","0.1415","","","","","","1.022","","","","has coordinates,has disorder","273621","2022-03-10","23:19:19",""
"1566590","12.3663","0.0003","16.7129","0.0003","25.3786","0.0005","90","","90","","90","","5245.17","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N2 O3 -","- C30 H29 Cl N2 O3 -","- C240 H232 Cl8 N16 O24 -","8","2","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.087","0.0576","","","0.1329","0.1549","","","","","","1.022","","","","has coordinates,has disorder","273621","2022-03-10","23:19:20",""
"1566591","5.89107","0.00007","16.00327","0.00017","22.3169","0.0002","90","","90","","90","","2103.96","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 O2 P -","- C25 H25 O2 P -","- C100 H100 O8 P4 -","4","1","","Zhang, Ya-Qian; Zhang, Qingwei; Han, Xue-Yu; Wu, Yue; Qi, Peng-Jia; Zhang, Qing","Ni-Catalyzed Asymmetric Hydrophosphinylation of Conjugated Enynes and Mechanistic Studies","Chemical Science","2022","","","","","10.1039/D2SC00091A","","x-ray","1.54184","CuKα","","0.0455","0.0437","","","0.123","0.1251","","","","","","1.049","","","","has coordinates","273622","2022-03-10","23:20:17",""
"1566592","7.2748","0.0007","12.2905","0.0009","12.5063","0.0012","63.599","0.002","79.446","0.002","75.302","0.002","965.6","0.15","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C46 H44 O6 S2 -","2","2","","Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz","Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality","Chemical Science","2022","","","","","10.1039/D2SC00748G","","x-ray","0.71073","MoKα","","0.0272","0.0259","","","0.0651","0.0662","","","","","","1.039","","","","has coordinates","273623","2022-03-10","23:21:07",""
"1566593","11.0831","0.0004","6.8389","0.0003","12.0729","0.0005","90","","109.142","0.002","90","","864.48","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C40 H40 N4 O2 S2 -","2","1","","Li, Yanjun; Liou, Yan-Cheng; Chen, Xinran; Ackermann, Lutz","Thioether-enabled palladium-catalyzed atroposelective C–H olefination for N−C and C−C axial chirality","Chemical Science","2022","","","","","10.1039/D2SC00748G","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0714","0.0723","","","","","","1.063","","","","has coordinates","273623","2022-03-10","23:21:09",""
"1566594","10.816","0.002","7.0106","0.0015","13.169","0.003","90","","106.833","0.004","90","","955.8","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(Methyl-α-<i>D</i>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","3-Ethenyl-1-(methyl-α-<i>D</i>-glucopyranosid-6-yl)imidazolium iodide dimethylformamide monosolvate","","- C15 H26 I N3 O6 -","- C15 H26 I N3 O6 -","- C30 H52 I2 N6 O12 -","2","1","VM4051","Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan","1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","IUCrData","2022","7","3","x220265","","10.1107/S2414314622002656","","","0.71073","MoKα","","0.0322","0.0283","","","0.0588","0.0603","","","","","","1.032","","","","has coordinates,has Fobs","273642","2022-03-11","03:34:45",""
"1566595","19.5585","0.0008","24.7224","0.001","29.8538","0.001","90","","90","","90","","14435.3","1","99.98","","99.98","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","","- C77 H83 Cl4 K Mn N6 O8 S -","- C77 H83 Cl4 K Mn N6 O8 S -","- C616 H664 Cl32 K8 Mn8 N48 O64 S8 -","8","1","BT4121","Yuan, Yiwen; Li, Jianfeng","([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","IUCrData","2022","7","3","x220241","","10.1107/S2414314622002413","","","0.71073","MoKα","","0.0899","0.049","","","0.0987","0.1153","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","273643","2022-03-11","03:35:28",""
"1566596","11.426","0.0005","9.0735","0.0003","15.5434","0.0005","90","","102.118","0.004","90","","1575.54","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","","- C17 H15 B F4 N2 -","- C17 H15 B F4 N2 -","- C68 H60 B4 F16 N8 -","4","1","BH4067","Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W.","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","IUCrData","2022","7","3","x220248","","10.1107/S2414314622002486","","x-ray","1.54184","CuKα","","0.1179","0.1081","","","0.366","0.3782","","","","","","1.634","","","","has coordinates,has disorder,has Fobs","273644","2022-03-11","03:35:58",""
"1566597","9.2608","0.0003","14.3014","0.0005","18.9339","0.0006","90","","90","","90","","2507.65","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O6 S2 -","- C28 H24 O6 S2 -","- C112 H96 O24 S8 -","4","1","","Hu, Linfeng; Li, Jinzhao; Zhang, Yongyan; Feng, Xiaoming; Liu, Xiaohua","Enantioselective [1,2]-Stevens Rearrangement of Thiosulfonates to Construct Dithio-Substituted Quaternary Carbon Centers","Chemical Science","2022","","","","","10.1039/D2SC00419D","","","1.54178","CuKα","","0.0422","0.0373","","","0.0885","0.0973","","","","","","1.09","","","","has coordinates","273667","2022-03-11","23:10:14",""
"1566598","16.326","0.003","16.389","0.003","16.464","0.003","70.953","0.007","89.935","0.01","71.859","0.007","3932.2","1.3","193","2","193","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H43 Cl2 Cr N2 O2 -","- C33 H43 Cl2 Cr N2 O2 -","- C132 H172 Cl8 Cr4 N8 O8 -","4","2","","Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO","Polymer Chemistry","2022","13","13","1852","1860","10.1039/D2PY00125J","","","1.34139","GaKα","","0.1177","0.0736","","","0.2105","0.24","","","","","","1.054","","","","has coordinates","275069","2022-05-05","20:56:01",""
"1566599","14.4764","0.0004","14.5398","0.0004","15.5208","0.0004","90","","109.539","0.001","90","","3078.75","0.15","213","","213","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl2 Cr F2 N2 O2 -","- C31 H37 Cl2 Cr F2 N2 O2 -","- C124 H148 Cl8 Cr4 F8 N8 O8 -","4","1","","Tian, Jiliang; Zhang, Xingwang; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by NNO-tridentate ligands: an unprecedented activity with the requirement of a small amount of MAO","Polymer Chemistry","2022","13","13","1852","1860","10.1039/D2PY00125J","","","1.34139","GaKα","","0.0664","0.0518","","","0.1382","0.1507","","","","","","1.072","","","","has coordinates","275069","2022-05-05","20:56:01",""
"1566600","9.2772","0.0003","13.9703","0.0005","26.2056","0.0009","90","","90.079","0.001","90","","3396.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca Gd K O3 -","- C36 H48 Ca Gd K O3 -","- C144 H192 Ca4 Gd4 K4 O12 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.071","0.0457","","","0.0617","0.0673","","","","","","1.094","","","","has coordinates","273684","2022-03-14","23:12:25",""
"1566601","9.2555","0.0007","13.9514","0.0011","26.113","0.002","90","","90.709","0.001","90","","3371.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca Er K O3 -","- C36 H48 Ca Er K O3 -","- C144 H192 Ca4 Er4 K4 O12 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.0495","0.0339","","","0.0508","0.0542","","","","","","1.094","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566602","9.2628","0.0005","13.9533","0.0007","26.1417","0.0013","90","","90.377","0.002","90","","3378.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca Dy K O3 -","- C36 H48 Ca Dy K O3 -","- C144 H192 Ca4 Dy4 K4 O12 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.0727","0.0584","","","0.1247","0.1313","","","","","","1.141","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566603","9.2613","0.0003","13.9568","0.0005","26.1226","0.001","90","","90.566","0.002","90","","3376.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca Ho K O3 -","- C36 H48 Ca Ho K O3 -","- C144 H192 Ca4 Ho4 K4 O12 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.0477","0.0333","","","0.0545","0.0578","","","","","","1.09","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566604","9.2649","0.0008","13.9648","0.0011","26.111","0.002","90","","90.8583","0.0015","90","","3377.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca K O3 Tm -","- C36 H48 Ca K O3 Tm -","- C144 H192 Ca4 K4 O12 Tm4 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.055","0.0385","","","0.0707","0.0753","","","","","","1.129","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566605","9.2738","0.0006","13.9561","0.001","26.155","0.0018","90","","90.302","0.002","90","","3385.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca K O3 Tb -","- C36 H48 Ca K O3 Tb -","- C144 H192 Ca4 K4 O12 Tb4 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.0541","0.0424","","","0.0933","0.098","","","","","","1.108","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566606","9.2602","0.0007","13.9561","0.001","26.1046","0.0019","90","","90.935","0.002","90","","3373.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ca K O3 Yb -","- C36 H48 Ca K O3 Yb -","- C144 H192 Ca4 K4 O12 Yb4 -","4","1","","Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies","Chemical Science","2022","","","","","10.1039/D2SC00631F","","","0.71073","MoKα","","0.0564","0.0363","","","0.0493","0.053","","","","","","1.073","","","","has coordinates","273684","2022-03-14","23:12:26",""
"1566607","16.2474","0.0005","17.2899","0.0008","46.6858","0.0017","90","","90","","90","","13114.8","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C92 H166 Fe N4 O28 Si16 -","- C92 H166 Fe N4 O28 Si16 -","- C368 H664 Fe4 N16 O112 Si64 -","4","1","","Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Chiral Molecular Nanosilicas","Chemical Science","2022","","","","","10.1039/D2SC00793B","","x-ray","1.54184","CuKα","","0.1694","0.1309","","","0.3442","0.3804","","","","","","1.061","","","","has coordinates,has disorder","273685","2022-03-14","23:14:08",""
"1566608","16.9205","0.0005","17.5657","0.0005","21.7093","0.0005","90","","90.98","0.002","90","","6451.5","0.3","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92 H182 Fe N4 O32 Si16 -","- C92 H182 Fe N4 O32 Si16 -","- C184 H364 Fe2 N8 O64 Si32 -","2","1","","Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Chiral Molecular Nanosilicas","Chemical Science","2022","","","","","10.1039/D2SC00793B","","x-ray","1.54184","CuKα","","0.1169","0.1084","","","0.2987","0.3063","","","","","","1.014","","","","has coordinates","273685","2022-03-14","23:14:08",""
"1566609","37.4731","0.0009","17.2234","0.0003","42.6209","0.0011","90","","103.053","0.003","90","","26797.4","1.1","173.01","0.1","173.01","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C76.5 Fe N4 O27.5 S2 Si16 -","- C76.5 Fe N4 O27.5 S2 Si16 -","- C612 Fe8 N32 O220 S16 Si128 -","8","2","","Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Chiral Molecular Nanosilicas","Chemical Science","2022","","","","","10.1039/D2SC00793B","","x-ray","0.71","MoKα","","0.1897","0.1686","","","0.4223","0.4445","","","","","","1.778","","","","has coordinates,has disorder","273685","2022-03-14","23:14:08",""
"1566610","10.9208","0.0004","10.9208","0.0004","6.1774","0.0003","90","","90","","120","","638.04","0.05","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","[K3Cl][Mn2Ga6S12]","","","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","- Cl Ga6 K3 Mn2 S12 -","1","0.166667","","Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong","Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions.","Materials horizons","2022","9","5","1513","1517","10.1039/d2mh00060a","","","0.71073","MoKα","","0.0364","0.0358","","","0.096","0.0962","","","","","","1.096","","","","has coordinates","275835","2022-06-06","02:08:12",""
"1566611","10.3779","0.0006","7.2974","0.0004","33.47","0.003","90","","98.797","0.006","90","","2504.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H41 F O4 -","- C28 H41 F O4 -","- C112 H164 F4 O16 -","4","2","","Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos","Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters","Chemical Science","2022","","","","","10.1039/D2SC00968D","","","0.71075","MoKα","","0.0942","0.0535","","","0.1122","0.1279","","","","","","0.966","","","","has coordinates","273704","2022-03-15","23:15:29",""
"1566612","14.7648","0.0015","6.0876","0.0005","26.974","0.002","90","","96.281","0.009","90","","2409.9","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H39 F O4 -","- C26 H39 F O4 -","- C104 H156 F4 O16 -","4","1","","Jiang, Liyin; Sarró, Pau; Teo, Wei Jie; Llop, Jordi; Suero, Marcos","Catalytic alkene skeletal modification for the construction of fluorinated tertiary stereocenters","Chemical Science","2022","","","","","10.1039/D2SC00968D","","","0.71075","MoKα","","0.0662","0.0493","","","0.1153","0.1231","","","","","","1.028","","","","has coordinates,has disorder","273704","2022-03-15","23:15:30",""
"1566613","20.4536","0.0006","20.7898","0.0007","33.6586","0.0009","72.945","0.003","82.104","0.002","63.917","0.003","12289","0.7","172.98","0.1","172.98","0.1","","","","","","","","9","P -1","-P 1","2","","Au19Ag6","","- C227 H209 Ag6 Au19 B2 F8 O17 P6 S17 -","- C227 H209 Ag6 Au19 B2 F8 O17 P6 S17 -","- C454 H418 Ag12 Au38 B4 F16 O34 P12 S34 -","2","1","","Shi, Wan-Qi; Guan, Zong-Jie; Li, Jiao-Jiao; Han, Xu-Shuang; Wang, Quan-Ming","Site-Specified Doping of Silver Atoms into Au25 Nanocluster as Directed by Ligand Binding Preference","Chemical Science","2022","","","","","10.1039/D2SC00012A","","x-ray","1.54184","CuKα","","0.1545","0.0853","","","0.2067","0.2444","","","","","","0.944","","","","has coordinates","273705","2022-03-15","23:16:13",""
"1566614","11.7807","0.0004","11.8079","0.0003","22.9033","0.0007","80.502","0.002","78.053","0.003","71.215","0.003","2934.25","0.16","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H72 N4 Ni Si4 -","- C66 H72 N4 Ni Si4 -","- C132 H144 N8 Ni2 Si8 -","2","1","","Shimamoto, Kento; Sunada, Yusuke","Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster","Chemical Science","2022","","","","","10.1039/D1SC06935G","","","0.71075","MoKα","","0.0824","0.0567","","","0.1366","0.1504","","","","","","1.035","","","","has coordinates","273706","2022-03-15","23:17:38",""
"1566615","10.31","0.003","12.326","0.003","12.941","0.003","77.219","0.005","79.312","0.006","79.801","0.006","1560","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N2 Si2 -","- C34 H29 N2 Si2 -","- C68 H58 N4 Si4 -","2","1","","Shimamoto, Kento; Sunada, Yusuke","Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster","Chemical Science","2022","","","","","10.1039/D1SC06935G","","","0.4126","synchrotron","","0.0507","0.0451","","","0.1209","0.1258","","","","","","1.028","","","","has coordinates","273706","2022-03-15","23:17:38",""
"1566616","13.9645","0.0004","14.7686","0.0003","24.4091","0.0005","89.5959","0.0019","79.412","0.002","63.052","0.003","4394.3","0.2","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H103 N7 Ni5 Si4 -","- C83 H85 N7 Ni5 Si4 -","- C166 H170 N14 Ni10 Si8 -","2","1","","Shimamoto, Kento; Sunada, Yusuke","Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster","Chemical Science","2022","","","","","10.1039/D1SC06935G","","","0.71075","MoKα","","0.1147","0.0591","","","0.1246","0.1462","","","","","","0.981","","","","has coordinates","273706","2022-03-15","23:17:39",""
"1566617","14.392","0.012","22.272","0.019","22.51","0.019","97.75","0.007","95.438","0.007","102.855","0.007","6912","10","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H85 N5 Ni2 Si4 -","- C74.875 H80.5 N5 Ni2 Si4 -","- C299.5 H322 N20 Ni8 Si16 -","4","2","","Shimamoto, Kento; Sunada, Yusuke","Metalation-Induced Denitrogenative Reductive Coupling of Isocyanides on a Silylene-Bridged Nickel Cluster","Chemical Science","2022","","","","","10.1039/D1SC06935G","","","0.415","synchrotron","","0.1753","0.0786","","","0.2009","0.2544","","","","","","0.969","","","","has coordinates","273706","2022-03-15","23:17:39",""
"1566618","10.677","0.0008","11.8045","0.001","12.4452","0.0009","96.831","0.006","101.037","0.006","111.157","0.007","1405.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","PAdSelectPhos","","- C35 H48 N P -","- C35 H48 N P -","- C70 H96 N2 P2 -","2","1","","Chen, Zicong; Gu, Changxue; Yuen, On Ying; So, Chau Ming","Palladium-catalyzed chemoselective direct α-arylation of carbonyl compounds with chloroaryl triflates at the C–Cl site","Chemical Science","2022","","","","","10.1039/D1SC06701J","","x-ray","0.71073","MoKα","","0.0624","0.045","","","0.1007","0.1127","","","","","","1.051","","","","has coordinates","273742","2022-03-16","23:15:10",""
"1566619","9.6724","0.0005","12.8821","0.0006","14.5407","0.0007","84.961","0.001","77.687","0.002","74.085","0.002","1701.43","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 B F3 P2 Se -","- C42 H34 B F3 P2 Se -","- C84 H68 B2 F6 P4 Se2 -","2","1","","Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.","Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity","Chemical Science","2022","","","","","10.1039/D1SC04277G","","","0.71073","MoKα","","0.0353","0.0293","","","0.0701","0.0727","","","","","","1.074","","","","has coordinates","273743","2022-03-16","23:16:26",""
"1566620","9.1533","0.0006","13.0253","0.0009","33.273","0.002","83.172","0.002","88.634","0.002","79.181","0.002","3868.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 B F3 O3 P2 Rh -","- C43 H39 B F3 O3 P2 Rh -","- C172 H156 B4 F12 O12 P8 Rh4 -","4","2","","Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.","Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity","Chemical Science","2022","","","","","10.1039/D1SC04277G","","x-ray","0.71073","MoKα","","0.084","0.0424","","","0.0703","0.0802","","","","","","1.014","","","","has coordinates","273743","2022-03-16","23:16:27",""
"1566621","14.5444","0.0007","19.8328","0.001","11.0256","0.0006","90","","90","","90","","3180.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36.96 H31.91 B0.95 F2.87 I0.05 P2 Se0.95 -","- C36.9562 H31.9124 B0.9562 F2.8686 I0.0438 P2 Se0.9562 -","- C147.825 H127.65 B3.8248 F11.4744 I0.1752 P8 Se3.8248 -","4","1","","Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.","Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity","Chemical Science","2022","","","","","10.1039/D1SC04277G","","","0.71073","MoKα","","0.0545","0.0401","","","0.0744","0.0788","","","","","","1.071","","","","has coordinates,has disorder","273743","2022-03-16","23:16:27",""
"1566622","5.6907","0.0004","21.5917","0.0016","26.847","0.002","78.455","0.002","89.976","0.002","89.948","0.002","3232","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H16 B F3 K O0.5 P -","- C15.004 H16.004 B F3 K O0.5 P -","- C120.032 H128.032 B8 F24 K8 O4 P8 -","8","4","","Kelty, Margaret L.; McNeece, Andrew J.; Kurutz, Josh W.; Filatov, Alexander S.; Anderson, John S.","Electrostatic vs. Inductive Effects in Phosphine Ligand Donor Properties and Reactivity","Chemical Science","2022","","","","","10.1039/D1SC04277G","","","0.71073","MoKα","","0.0748","0.043","","","0.0798","0.0897","","","","","","1.016","","","","has coordinates,has disorder","273743","2022-03-16","23:16:27",""
"1566623","11.9787","0.0005","17.3956","0.0007","22.0177","0.0009","110.06","0.001","90.8994","0.0013","101.377","0.0011","4207.6","0.3","90","","90","","","","","","","","","3","P -1","-P 1","2","C85H130O10(C6H14)","","","- C91 H144 O10 -","- C91 H144 O10 -","- C182 H288 O20 -","2","1","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.047","0.0457","","","0.1243","0.1257","","","","","","1.021","","","","has coordinates,has disorder","273744","2022-03-16","23:19:24",""
"1566624","11.164","0.003","5.0419","0.0008","15.9267","0.0017","90","","91.317","0.007","90","","896.2","0.3","138","","138","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,4-bis(pentafuluoropentyl)benzene","","","- C16 H16 F10 O2 -","- C16 H16 F10 O2 -","- C32 H32 F20 O4 -","2","0.5","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.0882","0.0785","","","0.234","0.2479","","","","","","1.083","","","","has coordinates","273744","2022-03-16","23:19:25",""
"1566625","69.979","0.002","13.9205","0.0005","24.2019","0.0008","90","","96.4154","0.0012","90","","23428.5","1.3","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C102H96O12F60(C6H12)","","","- C108 H108 F60 O12 -","- C108 H108 F60 O12 -","- C864 H864 F480 O96 -","8","1","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.0657","0.0578","","","0.1649","0.1747","","","","","","1.015","","","","has coordinates,has disorder","273744","2022-03-16","23:19:25",""
"1566626","23.6441","0.0011","22.5243","0.0011","31.147","0.0016","90","","95.0726","0.0019","90","","16522.9","1.4","90","","90","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","C75H80F30O10(C6H14)","","","- C81 H94 F30 O10 -","- C81 H94 F30 O10 -","- C648 H752 F240 O80 -","8","2","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.1406","0.1042","","","0.2322","0.2552","","","","","","1.129","","","","has coordinates,has disorder","273744","2022-03-16","23:19:25",""
"1566627","20.9282","0.0012","22.7403","0.0013","24.2682","0.0014","98.976","0.002","98.951","0.002","114.017","0.0017","10108.6","1","90","","90","","","","","","","","","4","P -1","-P 1","2","pillar[5]arene-(C3H6C2F5)10_hex","","","- C91 H94 F50 O10 -","- C91 H94 F50 O10 -","- C364 H376 F200 O40 -","4","2","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.095","0.0784","","","0.219","0.237","","","","","","1.025","","","","has coordinates,has disorder","273744","2022-03-16","23:19:25",""
"1566628","22.9793","0.0016","21.8597","0.0016","40.474","0.003","90","","102.22","0.003","90","","19870","2","105","","105","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C85H80O10F50(C5H12)1.13","","","- C90.65 H93.56 F50 O10 -","- C90.65 H93.56 F50 O10 -","- C725.2 H748.48 F400 O80 -","8","2","","Onishi, Katsuto; Ohtani, Shunsuke; Kato, Kenichi; Fa, Shixin; Sakata, Yoko; Akine, Shigehisa; Ogasawara, Moe; Asakawa, Hitoshi; Nagano, Shusaku; Takashima, Yoshinori; Mizuno, Motohiro; Ogoshi, Tomoki","State- and water repellency-controllable molecular glass of pillar[5]arenes with fluoroalkyl groups by guest vapors","Chemical Science","2022","","","","","10.1039/D2SC00828A","","","1.54178","CuKα","","0.1222","0.0996","","","0.2777","0.3055","","","","","","1.026","","","","has coordinates,has disorder","273744","2022-03-16","23:19:26",""
"1566629","7.2387","0.0001","9.6411","0.0002","10.4545","0.0002","81.448","0.001","75.399","0.001","70.165","0.002","662.56","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0165","0.0164","","","0.0431","0.0432","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566630","9.9154","0.0001","12.3655","0.0001","15.4749","0.0002","106.08","0.001","99.172","0.001","91.827","0.001","1794.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cd N4 O6 P2 S4 -","- C26 H42 Cd N4 O6 P2 S4 -","- C52 H84 Cd2 N8 O12 P4 S8 -","2","1","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0184","0.0178","","","0.046","0.0463","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566631","9.0611","0.0003","9.2065","0.0003","10.5703","0.0004","82.436","0.003","77.672","0.003","64.113","0.003","774.27","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0159","0.0158","","","0.0396","0.0397","","","","","","1.063","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566632","14.2538","0.0006","17.1903","0.0007","17.3592","0.0007","79.038","0.002","72.546","0.002","68.828","0.002","3767.7","0.3","150","2","150","","","","","","","","","4","P -1","-P 1","2","","TBPC-611","","- C78 H78 N6 O3 -","- C78 H78 N6 O3 -","- C156 H156 N12 O6 -","2","1","","Fang, Lingyi; Zhang, Yuyan; Ren, Ming; Xie, Xinrui; Li, Tianyu; Yuan, Yi; Zhang, Jing; Wang, Peng","A triple helicene based molecular semiconductor characteristic of a fully fused conjugated backbone for perovskite solar cells","Energy & Environmental Science","2022","15","4","1630","1637","10.1039/D1EE02843J","","","1.34138","GaKα","","0.1545","0.0949","","","0.2951","0.3382","","","","","","1.13","","","","has coordinates,has disorder","274981","2022-05-05","20:35:51",""
"1566633","6.6492","0.0008","13.731","0.002","15.329","0.002","90","","101.032","0.005","90","","1373.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C60 H60 N12 O4 S4 -","4","1","","Kshtriya, Vivekshinh; Koshti, Bharti; Mehmood, Tahir; Singh, Ramesh; Joshi, Khashti Ballabh; Bandyopadhyay, Sujoy; Boukhvalov, Danil W.; Reddy, J. Prakasha; Gour, Nidhi","A new aggregation induced emission enhancement (AIEE) dye which self-assembles to panchromatic fluorescent flowers and has application in sensing dichromate ions.","Soft matter","2022","18","15","3019","3030","10.1039/d2sm00154c","","","0.71073","MoKα","","0.1081","0.0623","","","0.1279","0.1465","","","","","","1.075","","","","has coordinates","275076","2022-05-05","20:57:38",""
"1566663","12.6529","0.0005","18.7504","0.0006","15.5836","0.0005","90","","90","","90","","3697.2","0.2","104.9","","104.9","","","","","","","","","8","P c a 21","P 2c -2ac","29","","Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))","","- C36 H37 K N3 O3 P2 Ru S -","- C36 H37 K N3 O3 P2 Ru S -","- C144 H148 K4 N12 O12 P8 Ru4 S4 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","x-ray","1.54178","CuKα","","0.06","0.0521","","","0.1374","0.1467","","","","","","1.031","","","","has coordinates,has disorder","275779","2022-06-06","01:37:49",""
"1566664","14.8971","0.0003","22.753","0.0004","28.6172","0.0004","90","","100.332","0.0006","90","","9542.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H83 N6 O3 P6 Ru2 -","- C100 H83 N6 O3 P6 Ru2 -","- C400 H332 N24 O12 P24 Ru8 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.05","0.043","","","0.0975","0.102","","","","","","1.038","","","","has coordinates,has disorder","275779","2022-06-06","01:38:01",""
"1566665","25.849","0.005","19.5041","0.0003","21.0152","0.0004","90","","90","","90","","10595","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H48 Cl N4 O2 P3 Ru -","- C51 H48 Cl N4 O2 P3 Ru -","- C408 H384 Cl8 N32 O16 P24 Ru8 -","8","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.0343","0.0277","","","0.0673","0.0704","","","","","","1.023","","","","has coordinates","275779","2022-06-06","01:38:01",""
"1566666","12.912","0.0013","10.1397","0.001","15.597","0.0016","90","","90","","90","","2042","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic Mimicry of Formaldehyde-Induced DNA–Protein Crosslinks in the Confined Space of Metal–Organic Framework","Chemical Science","2022","","","","","10.1039/D2SC00188H","","","0.71073","MoKα","","0.0446","0.0375","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","273876","2022-03-21","23:12:24",""
"1566667","12.4943","0.001","9.9586","0.0007","16.762","0.0013","90","","95.6616","0.0015","90","","2075.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic Mimicry of Formaldehyde-Induced DNA–Protein Crosslinks in the Confined Space of Metal–Organic Framework","Chemical Science","2022","","","","","10.1039/D2SC00188H","","","0.71073","MoKα","","0.0681","0.0452","","","0.1077","0.1209","","","","","","1.032","","","","has coordinates","273876","2022-03-21","23:12:25",""
"1566668","5.46991","0.00009","10.15896","0.00014","34.3303","0.0005","90","","90","","90","","1907.69","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O6 S -","- C16 H29 N O6 S -","- C64 H116 N4 O24 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0313","0.0303","","","0.0767","0.0773","","","","","","1.025","","","","has coordinates","273877","2022-03-21","23:14:26",""
"1566669","9.3374","0.0001","6.0661","0.0001","28.5106","0.0004","90","","90","","90","","1614.89","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H22 O2 S -","- C18 H22 O2 S -","- C72 H88 O8 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0791","0.0807","","","","","","1.043","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566670","5.0188","0.0001","9.6241","0.0002","16.1198","0.0004","89.487","0.002","85.132","0.002","82.136","0.002","768.5","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 Cl N O3 S -","- C15 H20 Cl N O3 S -","- C30 H40 Cl2 N2 O6 S2 -","2","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0366","0.0347","","","0.087","0.0883","","","","","","1.062","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566671","6.4691","0.0001","11.4368","0.0002","8.7387","0.0001","90","","102.114","0.002","90","","632.143","0.017","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 O4 S2 -","- C10 H18 O4 S2 -","- C20 H36 O8 S4 -","2","0.5","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0294","0.029","","","0.0774","0.0777","","","","","","1.051","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566672","5.72076","0.00011","8.13039","0.00016","11.8424","0.0002","91.8184","0.0016","91.4466","0.0015","103.412","0.0017","535.219","0.018","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 O3 S -","- C11 H14 O3 S -","- C22 H28 O6 S2 -","2","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0291","0.0287","","","0.0777","0.078","","","","","","1.038","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566673","5.7165","0.0001","12.1828","0.0002","14.7356","0.0002","90","","91.722","0.001","90","","1025.77","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H11 F O3 S -","- C10 H11 F O3 S -","- C40 H44 F4 O12 S4 -","4","2","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0308","0.0303","","","0.0798","0.0802","","","","","","1.021","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566674","11.1742","0.0003","16.6182","0.0003","10.3665","0.0003","90","","116.394","0.003","90","","1724.34","0.09","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0431","0.0386","","","0.1026","0.1057","","","","","","1.075","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566675","6.09765","0.00006","8.92648","0.0001","22.0926","0.0002","90","","91.4743","0.0009","90","","1202.11","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O4 S2 -","- C10 H18 O4 S2 -","- C40 H72 O16 S8 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.0753","0.0761","","","","","","1.062","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566676","9.0612","0.00012","15.82137","0.00016","10.2622","0.00014","90","","114.837","0.0016","90","","1335.12","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0832","0.0846","","","","","","1.076","","","","has coordinates","273877","2022-03-21","23:14:27",""
"1566677","10.04584","0.00004","19.87397","0.00012","12.32816","0.00006","90","","95.9688","0.0004","90","","2447.98","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O8 S -","- C25 H30 O8 S -","- C100 H120 O32 S4 -","4","2","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0299","0.0293","","","0.0772","0.0779","","","","","","1.045","","","","has coordinates","273877","2022-03-21","23:14:28",""
"1566678","12.912","0.0013","10.1397","0.001","15.597","0.0016","90","","90","","90","","2042","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","wu, Fu-Peng; Wu, Xiao-Feng","Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones","Chemical Science","2022","","","","","10.1039/D2SC00840H","","","0.71073","MoKα","","0.0446","0.0375","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","273878","2022-03-21","23:15:38",""
"1566679","12.4943","0.001","9.9586","0.0007","16.762","0.0013","90","","95.6616","0.0015","90","","2075.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 B O3 -","- C23 H27 B O3 -","- C92 H108 B4 O12 -","4","1","","wu, Fu-Peng; Wu, Xiao-Feng","Catalyst-Controlled Selective Borocarbonylation of Benzylidenecyclopropanes: Regiodivergent Synthesis of γ-Vinylboryl Ketones and β-Cyclopropylboryl Ketones","Chemical Science","2022","","","","","10.1039/D2SC00840H","","","0.71073","MoKα","","0.0681","0.0452","","","0.1077","0.1209","","","","","","1.032","","","","has coordinates","273878","2022-03-21","23:15:38",""
"1566680","9.9652","0.0003","18.349","0.0005","23.3602","0.0009","90","","96.462","0.003","90","","4244.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H47 Co O3 P2 -","- C50.5 H47 Co O3 P2 -","- C202 H188 Co4 O12 P8 -","4","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71075","MoKα","","0.1079","0.0512","","","0.1233","0.1468","","","","","","1.009","","","","has coordinates,has disorder","275775","2022-06-06","01:36:45",""
"1566681","10.8578","0.0008","11.6947","0.0009","17.4282","0.0013","106.744","0.003","95.84","0.003","112.496","0.003","1900.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H32 Co2 O7 P2 -","- C45 H32 Co2 O7 P2 -","- C90 H64 Co4 O14 P4 -","2","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71073","MoKα","","0.0375","0.0292","","","0.0719","0.0782","","","","","","1.034","","","","has coordinates","275775","2022-06-06","01:36:46",""
"1566682","8.0346","0.0003","12.621","0.0005","16.5455","0.0006","90","","90","","90","","1677.79","0.11","169","2","169","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C64 H76 N4 O24 S4 -","4","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0456","0.0426","","","0.1163","0.1184","","","","","","1.14","","","","has coordinates","273900","2022-03-22","23:10:10",""
"1566683","10.1269","0.0006","8.043","0.0005","10.8756","0.0007","90","","114.408","0.002","90","","806.66","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0305","0.0296","","","0.0741","0.0764","","","","","","1.09","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566684","11.0402","0.0009","9.5966","0.0008","12.5085","0.001","90","","115.079","0.002","90","","1200.32","0.17","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H26 F6 N3 O7 S2 -","- C17 H26 F6 N3 O7 S2 -","- C34 H52 F12 N6 O14 S4 -","2","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0471","0.0464","","","0.1194","0.1203","","","","","","1.037","","","","has coordinates,has disorder","273900","2022-03-22","23:10:11",""
"1566685","8.1051","0.0004","14.1921","0.0006","15.2659","0.0007","90","","90","","90","","1756.01","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C64 H80 N8 O24 S4 -","4","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0432","0.0406","","","0.1012","0.1054","","","","","","1.109","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566686","13.5261","0.0007","12.674","0.0006","25.4683","0.0012","90","","99.78","0.002","90","","4302.6","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C160 H218 N8 O49 S8 -","- C160 H218 N8 O49 S8 -","- C160 H218 N8 O49 S8 -","1","0.5","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0324","0.03","","","0.0692","0.071","","","","","","1.05","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566687","18.838","0.004","32.458","0.006","64.439","0.013","90","0.03","94.55","0.03","90","0.03","39277","14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C1220 H968 B11.95 Cu24 F47.82 N52 O104 -","- C1220 H968 B11.944 Cu24 F47.776 N52 O104 -","- C1220 H968 B11.944 Cu24 F47.776 N52 O104 -","1","0.25","","Domoto, Yuya; Yamamoto, Kidai; Horie, Shumpei; Yu, Zhengsu; Fujita, Makoto","Multiplication of weak chiral inductions for excellent control over the helical orientation of discrete topologically chiral (M3L2)n polyhedra","Chemical Science","2022","","","","","10.1039/D2SC00111J","","","1","Synchrotron","","0.1935","0.144","","","0.3746","0.4105","","","","","","1.29","","","","has coordinates","273901","2022-03-22","23:11:11",""
"1566688","15.262","0.0006","12.8154","0.0005","20.9917","0.0008","90","","108.535","0.0016","90","","3892.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C117.6 H163.2 Cl35.2 N8 P8 Pd4 -","4","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0395","0.0317","","","0.0781","0.0837","","","","","","1.043","","","","has coordinates,has disorder","275777","2022-06-06","01:37:18",""
"1566689","9.1591","0.0008","11.3142","0.001","15.1394","0.0014","103.273","0.002","102.525","0.002","105.201","0.002","1408","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 B2 N2 P2 -","- C26 H40 B2 N2 P2 -","- C52 H80 B4 N4 P4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0361","0.0328","","","0.0882","0.0919","","","","","","1.034","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566690","11.2734","0.0007","12.1729","0.0007","13.5903","0.0008","73.9005","0.0013","72.8892","0.0013","73.6404","0.0012","1671.4","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C56 H68 F12 N4 O12 P4 Pd2 S4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0207","0.0201","","","0.0501","0.0506","","","","","","1.027","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566691","8.9883","0.0016","11.1112","0.0016","17.485","0.003","90","","90","","90","","1746.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","BODIPY-DACO","10-((2-acetamidocyclohexyl)iminio)-5,5-difluoro-5H,10H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-5-uide","","- C17 H21 B F2 N4 O -","- C17 H21 B F2 N4 O -","- C68 H84 B4 F8 N16 O4 -","4","1","","Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung","A molecular recognition platform for the simultaneous sensing of diverse chemical weapons","Chemical Science","2022","","","","","10.1039/D2SC00299J","","","0.71073","MoKα","","0.0948","0.0455","","","0.0864","0.1166","","","","","","1.014","","","","has coordinates","273938","2022-03-23","23:11:49",""
"1566692","10.5675","0.0008","10.5675","0.0008","13.404","0.002","90","","90","","90","","1496.9","0.3","293","2","293","2","","","","","","","","5","P 41","P 4w","76","BODIPY-DCH","10-((2-aminocyclohexyl)iminio)-5,5-difluoro-5H,10H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-5-uide","","- C15 H19 B F2 N4 -","- C15 H19.0001 B F2 N4 -","- C60 H76.0004 B4 F8 N16 -","4","1","","Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung","A molecular recognition platform for the simultaneous sensing of diverse chemical weapons","Chemical Science","2022","","","","","10.1039/D2SC00299J","","x-ray","0.71073","MoKα","","0.0936","0.045","","","0.0832","0.1069","","","","","","1.009","","","","has coordinates","273938","2022-03-23","23:11:50",""
"1566693","6.9141","0.0002","9.2485","0.0002","12.7582","0.0002","93.651","0.002","101.649","0.002","97.353","0.002","789.08","0.03","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","BODIPY-ICO","1-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)octahydro-2H-benzo[d]imidazol-2-one","","- C16 H17 B F2 N4 O -","- C16 H17 B F2 N4 O -","- C32 H34 B2 F4 N8 O2 -","2","1","","Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung","A molecular recognition platform for the simultaneous sensing of diverse chemical weapons","Chemical Science","2022","","","","","10.1039/D2SC00299J","","x-ray","1.54184","CuKα","","0.1335","0.1281","","","0.2721","0.2738","","","","","","1.199","","","","has coordinates,has disorder","273938","2022-03-23","23:11:50",""
"1566694","15.7346","0.0005","18.2731","0.0006","19.7473","0.0007","106.435","0.003","102.572","0.003","100.222","0.003","5139","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C83 H135 As7 K La2 O6 Si8 -","- C83 H135 As7 K La2 O6 Si8 -","- C166 H270 As14 K2 La4 O12 Si16 -","2","1","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.088","0.0629","","","0.1616","0.176","","","","","","1.027","","","","has coordinates,has disorder","273951","2022-03-24","23:15:04",""
"1566695","11.223","0.0014","16.579","0.002","18.693","0.003","72.888","0.01","89.816","0.011","73.008","0.01","3166","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H164 As14 Ce2 K2 O12 Si8 -","- C96 H164 As14 Ce2 K2 O12 Si8 -","- C96 H164 As14 Ce2 K2 O12 Si8 -","1","0.5","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.0759","0.0478","","","0.1138","0.1279","","","","","","1.022","","","","has coordinates,has disorder","273951","2022-03-24","23:15:09",""
"1566696","15.6899","0.0007","18.4469","0.001","20.1223","0.0011","111.299","0.004","104.839","0.004","100.119","0.004","5006.3","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H132 As7 K Nd2 O6 Si8 -","- C80 H132 As7 K Nd2 O6 Si8 -","- C160 H264 As14 K2 Nd4 O12 Si16 -","2","1","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.0847","0.06","","","0.1512","0.1648","","","","","","1.019","","","","has coordinates","273951","2022-03-24","23:15:09",""
"1566697","11.7764","0.0013","17.4676","0.0014","26.292","0.004","84.855","0.009","79.39","0.009","71.581","0.008","5040.7","1.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C77 H129 As3 K Nd2 O6 Si8 -","- C77 H129 As3 K Nd2 O6 Si8 -","- C154 H258 As6 K2 Nd4 O12 Si16 -","2","1","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.0735","0.047","","","0.1053","0.1169","","","","","","1.086","","","","has coordinates,has disorder","273951","2022-03-24","23:15:09",""
"1566698","14.2709","0.0002","31.995","0.0006","17.4941","0.0003","90","","98.678","0.001","90","","7896.3","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H102 As7 K2 Nd O12 Si4 -","- C58 H102 As7 K2 Nd O12 Si4 -","- C232 H408 As28 K8 Nd4 O48 Si16 -","4","1","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.0873","0.0769","","","0.1898","0.1949","","","","","","1.168","","","","has coordinates,has disorder","273951","2022-03-24","23:15:10",""
"1566699","20.0117","0.0004","18.0444","0.0003","27.5019","0.0006","90","","96.273","0.002","90","","9871.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H132 As7 Ce2 K O6 Si8 -","- C77 H132 As7 Ce2 K O6 Si8 -","- C308 H528 As28 Ce8 K4 O24 Si32 -","4","1","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","x-ray","0.71073","MoKα","","0.0678","0.0364","","","0.0674","0.0749","","","","","","0.974","","","","has coordinates,has disorder","273951","2022-03-24","23:15:10",""
"1566700","41.591","0.0016","13.2497","0.0004","19.5306","0.0008","90","","95.516","0.003","90","","10712.9","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H138 As14 K2 Nd2 O12 Si8 -","- C74 H138 As14 K2 Nd2 O12 Si8 -","- C296 H552 As56 K8 Nd8 O48 Si32 -","4","0.5","","Reinfandt, Niklas; Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","From a nanoparticular solid-state material to molecular organo-f-element-polyarsenides","Chemical Science","2022","","","","","10.1039/D1SC05797A","","","0.71073","MoKα","","0.1043","0.0535","","","0.1136","0.1332","","","","","","1.024","","","","has coordinates,has disorder","273951","2022-03-24","23:15:10",""
"1566701","9.9306","0.0006","13.2468","0.0009","27.4297","0.0018","90","","90","","90","","3608.3","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Au N O6 -","- C42 H36 Au N O5 -","- C168 H144 Au4 N4 O20 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0455","0.0409","","","0.0792","0.0804","","","","","","1.164","","","","has coordinates,has disorder","274008","2022-03-25","23:12:47",""
"1566702","11.8935","0.0006","12.6595","0.0006","18.8734","0.001","90","","90","","90","","2841.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H24 N O2 P -","- C38 H24 N O2 P -","- C152 H96 N4 O8 P4 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","1.54178","CuKα","","0.025","0.0242","","","0.0607","0.061","","","","","","1.047","","","","has coordinates","274008","2022-03-25","23:12:48",""
"1566703","12.999","0.005","13.954","0.004","22.15","0.008","90","","90","","90","","4018","2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41.17 H29.17 Au Cl3.5 N O3 -","- C41.1666 H29.1666 Au Cl3.4998 N O3 -","- C164.666 H116.666 Au4 Cl13.9992 N4 O12 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0723","0.0476","","","0.1201","0.1338","","","","","","1.071","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566704","12.578","0.001","13.7123","0.0011","21.0398","0.0015","90","","90","","90","","3628.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H32 Au Cl4 N O3 -","- C42 H32 Au Cl4 N O3 -","- C168 H128 Au4 Cl16 N4 O12 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0506","0.0493","","","0.1205","0.1212","","","","","","1.144","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566705","9.9266","0.0007","13.1669","0.0009","27.3976","0.0019","90","","90","","90","","3580.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Au N O5 -","- C42 H36 Au N O5 -","- C168 H144 Au4 N4 O20 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0595","0.0512","","","0.1213","0.1231","","","","","","1.26","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566706","23.5571","0.0004","23.5571","0.0004","61.035","0.002","90","","90","","90","","33870.6","1.4","173","2","173","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- H66 Mo60 Na8 O187 -","- Mo60 Na8 O183 -","- Mo480 Na64 O1464 -","8","0.25","","Li, xuexin; Ji, Tuo; Gao, Jun-Yang; Chen, Wei-Chao; Yuan, Ye; Sha, Haoyan; Faller, Roland; Shan, Guo-Gang; Shao, Kui-Zhan; Wang, Xinlong; Su, Zhong-Min","An Unprecedented Fully Reduced {MoV60} Polyoxometalate: From All-Inorganic Molecular Light-Absorber Model to Improved Photoelectronic Performance","Chemical Science","2022","","","","","10.1039/D1SC06779F","","","1.54178","CuKα","","0.0606","0.0558","","","0.158","0.1628","","","","","","1.042","","","","has coordinates,has disorder","274009","2022-03-25","23:13:48",""
"1566707","8.8424","0.0005","11.4067","0.0006","24.8662","0.001","81.957","0.004","80.897","0.004","69.046","0.005","2303.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H53 B Cl P2 S -","- C54.5 H53 B Cl P2 S -","- C109 H106 B2 Cl2 P4 S2 -","2","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.179","0.1202","","","0.2962","0.3438","","","","","","1.062","","","","has coordinates","274010","2022-03-25","23:16:08",""
"1566708","20.9374","0.0006","10.9959","0.0003","14.9555","0.0005","90","","90","","90","","3443.14","0.18","297.05","0.16","297.05","0.16","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C29.25 H31.5 B Cl0.5 F4 P2 Pt S -","- C29.25 H31.5 B Cl0.5 F4 P2 Pt S -","- C117 H126 B4 Cl2 F16 P8 Pt4 S4 -","4","0.5","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","x-ray","0.71073","MoKα","","0.0652","0.0454","","","0.1063","0.1137","","","","","","1.083","","","","has coordinates,has disorder","274010","2022-03-25","23:16:09",""
"1566709","10.4581","0.0002","14.2792","0.0003","17.4031","0.0004","90","","90","","90","","2598.86","0.09","149.9","0.2","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl O P2 Rh S -","- C28 H28 Cl O P2 Rh S -","- C112 H112 Cl4 O4 P8 Rh4 S4 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.0207","0.0191","","","0.0449","0.0455","","","","","","1.044","","","","has coordinates","274010","2022-03-25","23:16:09",""
"1566710","10.9915","0.0004","34.1432","0.001","12.5533","0.0004","90","","99.76","0.003","90","","4642.9","0.3","149.99","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 B Cl P2 Rh S -","- C54 H53 B Cl P2 Rh S -","- C216 H212 B4 Cl4 P8 Rh4 S4 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.1215","0.1003","","","0.2126","0.2204","","","","","","1.305","","","","has coordinates","274010","2022-03-25","23:16:09",""
"1566711","9.1404","0.0002","12.3384","0.0003","19.4965","0.0005","102.063","0.002","92.077","0.002","103.656","0.002","2080.95","0.09","149.98","0.1","149.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H36 Cl F7 P3 Rh S -","- C45.5 H36 Cl F7 P3 Rh S -","- C91 H72 Cl2 F14 P6 Rh2 S2 -","2","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","x-ray","0.71073","MoKα","","0.0367","0.0308","","","0.0739","0.0764","","","","","","1.025","","","","has coordinates,has disorder","274010","2022-03-25","23:16:09",""
"1566712","12.4956","0.0002","28.031","0.0004","12.6611","0.0002","90","","119.324","0.002","90","","3866.48","0.13","294","1","294.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 F4 O3 P2 S2 -","- C43 H32 F4 O3 P2 S2 -","- C172 H128 F16 O12 P8 S8 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.1156","0.1103","","","0.3948","0.4059","","","","","","1.987","","","","has coordinates,has disorder","274010","2022-03-25","23:16:09",""
"1566713","16.6775","0.0002","15.3273","0.0002","19.3126","0.0003","90","","102.496","0.001","90","","4819.76","0.12","293.2","0.4","293.2","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H59 B P2 Pt S -","- C56 H59 B P2 Pt S -","- C224 H236 B4 P8 Pt4 S4 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","x-ray","0.71073","MoKα","","0.0216","0.0177","","","0.0401","0.0412","","","","","","1.045","","","","has coordinates,has disorder","274010","2022-03-25","23:16:09",""
"1566714","23.6369","0.0003","12.7303","0.0002","18.9449","0.0002","90","","98.297","0.001","90","","5640.95","0.13","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 F13 N2 O8 P2 Pt S5 -","- C47 H35 F13 N2 O8 P2 Pt S5 -","- C188 H140 F52 N8 O32 P8 Pt4 S20 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.0385","0.0346","","","0.0897","0.0923","","","","","","1.033","","","","has coordinates,has disorder","274010","2022-03-25","23:16:10",""
"1566715","10.727","0.0002","13.1882","0.0002","15.143","0.0002","65.687","0.002","75.111","0.001","75.546","0.001","1861.41","0.06","293.6","0.6","293.6","0.6","","","","","","","","9","P -1","-P 1","2","","","","- C32 H39 B2 F8 N O2 P2 Pt S -","- C32 H39 B2 F8 N O2 P2 Pt S -","- C64 H78 B4 F16 N2 O4 P4 Pt2 S2 -","2","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","x-ray","0.71073","MoKα","","0.0323","0.0286","","","0.0722","0.0738","","","","","","1.049","","","","has coordinates,has disorder","274010","2022-03-25","23:16:10",""
"1566718","30.3989","0.0015","8.7177","0.0005","14.0581","0.0007","90","","115.367","0.002","90","","3366.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","TK4075","Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R.","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","IUCrData","2022","7","3","x220283","","10.1107/S2414314622002838","","","0.71073","MoKα","","0.0509","0.0435","","","0.1148","0.1258","","","","","","1.065","","","","has coordinates,has Fobs","274096","2022-03-30","02:02:57",""
"1566719","12.4378","0.0019","13.2166","0.0019","14.021","0.003","97.835","0.004","93.139","0.005","90.289","0.004","2279.7","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H56 Bi2 Br10 N4 -","- C20 H56 Bi2 Br10 N4 -","- C40 H112 Bi4 Br20 N8 -","2","1","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1178","0.0492","","","0.092","0.1202","","","","","","1.022","","","","has coordinates","274136","2022-03-30","22:15:32",""
"1566720","8.4797","0.0006","8.7683","0.0006","13.9411","0.0009","73.253","0.003","88.908","0.003","87.415","0.003","991.56","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 Ag Bi Br8 N4 -","- C20 H56 Ag Bi Br8 N4 -","- C20 H56 Ag Bi Br8 N4 -","1","0.5","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1587","0.1097","","","0.2828","0.3188","","","","","","1.095","","","","has coordinates","274136","2022-03-30","22:15:33",""
"1566721","8.774","0.01","27.47","0.03","8.771","0.009","90","","90","","90","","2114","4","375","2","375","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C20 Ag Bi Br8 N8 -","- C20 Ag Bi Br8 N8 -","- C40 Ag2 Bi2 Br16 N16 -","2","0.125","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1205","0.111","","","0.3167","0.3235","","","","","","1.244","","","","has coordinates","274136","2022-03-30","22:15:33",""
"1566722","11.996","0.002","13.422","0.002","17.477","0.003","72.658","0.004","70.158","0.004","77.179","0.004","2503.7","0.7","310","2","310","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H69 Br9 N5 Pb2 -","- C25 H68.904 Br9 N5 Pb2 -","- C50 H137.808 Br18 N10 Pb4 -","2","1","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1275","0.0605","","","0.1382","0.1824","","","","","","1.054","","","","has coordinates,has disorder","274136","2022-03-30","22:15:33",""
"1566723","11.975","0.002","13.366","0.002","17.472","0.003","72.618","0.005","70.213","0.004","77.258","0.004","2488.9","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H70 Br9 N5 Pb2 -","- C25 H70 Br9 N5 Pb2 -","- C50 H140 Br18 N10 Pb4 -","2","1","","Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei","The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap","Chemical Science","2022","","","","","10.1039/D1SC07045B","","","0.71073","MoKα","","0.1366","0.0658","","","0.1571","0.2002","","","","","","1.052","","","","has coordinates","274136","2022-03-30","22:15:33",""
"1566724","9.6064","0.0001","7.9331","0.0001","13.748","0.0001","90","","101.106","0.001","90","","1028.09","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C46 H46 Cl2 N4 O4 -","2","1","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.035","0.0342","","","0.0897","0.0902","","","","","","1.1","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566725","9.2992","0.0001","18.0846","0.0002","24.744","0.0002","90","","90","","90","","4161.26","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 Cl2 N4 O4 -","- C46 H46 Cl2 N4 O4 -","- C184 H184 Cl8 N16 O16 -","4","1","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1131","0.1141","","","","","","1.03","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566726","9.11893","0.00005","17.37833","0.0001","50.2087","0.0003","90","","90","","90","","7956.66","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C368 H368 Cl16 N32 O32 -","16","4","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.0491","0.0486","","","0.1328","0.1332","","","","","","1.104","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566727","16.0767","0.0006","12.9097","0.0005","10.9767","0.0004","90","","99.712","0.001","90","","2245.51","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O2 -","- C23 H30 N4 O2 -","- C92 H120 N16 O8 -","4","1","","Zhan, Yi-Zhou; Meng, Huan; Shu, Wei","Rapid Access to t-Butylalkylated Olefins Enabled by Ni-Catalyzed Intermolecular Regio- and trans-Selective Cross-Electrophile t-Butylalkylation of Alkynes","Chemical Science","2022","","","","","10.1039/D2SC00487A","","x-ray","0.71073","MoKα","","0.068","0.0445","","","0.1064","0.1204","","","","","","1.028","","","","has coordinates","274138","2022-03-30","22:17:06",""
"1566728","7.1533","0.0016","11.936","0.003","9.004","0.002","90","","98.128","0.005","90","","761.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C15 H14 Cl N5 O2 -","- C15 H14 Cl N5 O2 -","- C30 H28 Cl2 N10 O4 -","2","1","VM4052","Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2022","7","3","x220342","","10.1107/S241431462200342X","","","0.71073","MoKα","","0.0451","0.0418","","","0.0973","0.0998","","","","","","1.037","","","","has coordinates,has Fobs","274192","2022-04-01","02:24:28",""
"1566729","4.60717","0.00011","20.7275","0.0005","12.6444","0.0003","90","","91.911","0.002","90","","1206.81","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","XI4003","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","IUCrData","2022","7","3","x220332","","10.1107/S2414314622003327","","","1.54184","CuKα","","0.0497","0.0491","","","0.1194","0.1197","","","","","","1.248","","","","has coordinates,has Fobs","274193","2022-04-01","02:25:33",""
"1566730","13.1323","0.0001","14.2033","0.0002","14.7079","0.0001","94.606","0.001","111.041","0.001","97.973","0.001","2510.43","0.05","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H45 Cl3 -","- C61 H45 Cl3 -","- C122 H90 Cl6 -","2","1","","Bergman, Harrison; Beattie, D. Dawson; Kiel, Gavin R.; Handford, Rex; Liu, Yi; Tilley, T. Don","A sequential cyclization/π-extension strategy for modular construction of nanographenes enabled by stannole cycloadditions","Chemical Science","2022","","","","","10.1039/D2SC00397J","","","1.54184","CuKα","","0.0866","0.0846","","","0.2557","0.2578","","","","","","1.058","","","","has coordinates,has disorder","274214","2022-04-01","22:07:54",""
"1566731","7.5508","0.0015","8.0138","0.0016","8.139","0.0016","85.38","0.03","77.75","0.03","75.07","0.03","464.86","0.18","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 Br N4 S -","- C22 H9 Br N4 S -","- C22 H9 Br N4 S -","1","0.5","","Liu, Kun; Li, Shuai; Fu, Liyuan; Lei, Yilong; Liao, Qing; Fu, Hongbing","Cocrystallization Tailoring Radiative Decay Pathways for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence Emission","Nanoscale","2022","","","","","10.1039/D2NR00757F","","","0.71073","MoKα","","0.1201","0.0966","","","0.2469","0.2613","","","","","","1.088","","","","has coordinates,has disorder","274219","2022-04-02","00:01:59",""
"1566732","7.4921","0.0015","8.1212","0.0016","30.277","0.006","90","","92.33","0.03","90","","1840.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 Br N4 S -","- C22 H9 Br N4 S -","- C88 H36 Br4 N16 S4 -","4","1","","Liu, Kun; Li, Shuai; Fu, Liyuan; Lei, Yilong; Liao, Qing; Fu, Hongbing","Cocrystallization Tailoring Radiative Decay Pathways for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence Emission","Nanoscale","2022","","","","","10.1039/D2NR00757F","","","0.71073","MoKα","","0.0817","0.0551","","","0.1379","0.1506","","","","","","1.082","","","","has coordinates,has disorder","274219","2022-04-02","00:01:59",""
"1566733","7.2319","0.0004","11.7336","0.0007","16.6396","0.0012","102.141","0.006","94.257","0.005","104.092","0.005","1327.08","0.15","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O5 S -","- C32 H28 N2 O5 S -","- C64 H56 N4 O10 S2 -","2","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.1357","0.0704","","","0.1406","0.1759","","","","","","1.027","","","","has coordinates","274286","2022-04-03","23:11:36",""
"1566734","9.6146","0.0003","15.9025","0.0004","29.7245","0.0007","90","","90","","90","","4544.8","0.2","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 S -","- C29 H22 N2 O4 S -","- C232 H176 N16 O32 S8 -","8","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.058","0.0468","","","0.1122","0.1201","","","","","","1.036","","","","has coordinates","274287","2022-04-03","23:12:12",""
"1566735","19.4942","0.0005","8.0752","0.0002","27.7657","0.0006","90","","102.868","0.002","90","","4261.09","0.18","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl F3 N4 O -","- C22 H22 Cl F3 N4 O -","- C176 H176 Cl8 F24 N32 O8 -","8","1","","Sun, Susu; Chen, Lai; Huo, Jingqian; Wang, Ying; Kou, Song; Yuan, Shitao; Fu, Yining; Zhang, Jinlin","Discovery of Novel Pyrazole Amides as Potent Fungicide Candidates and Evaluation of Their Mode of Action.","Journal of agricultural and food chemistry","2022","70","11","3447","3457","10.1021/acs.jafc.2c00092","","x-ray","0.71073","MoKα","","0.0396","0.0353","","","0.0897","0.092","","","","","","1.04","","","","has coordinates","274288","2022-04-03","23:12:36",""
"1566736","5.5437","0.0002","8.4551","0.0003","52.42","0.003","90","","90","","90","","2457.06","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max","Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor.","Journal of medicinal chemistry","2022","65","6","4832","4853","10.1021/acs.jmedchem.1c02033","","","1.54178","CuKα","","0.052","0.0466","","","0.1188","0.1256","","","","","","1.091","","","","has coordinates","274289","2022-04-03","23:29:08",""
"1566737","10.4997","0.0003","15.5071","0.0005","35.5889","0.0005","83.392","0.002","82.236","0.002","71.57","0.003","5430.8","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C108.96 H78.42 Cl1.5 N5 O12 -","- C108.96 H78.42 Cl1.5 N5 O12 -","- C217.92 H156.84 Cl3 N10 O24 -","2","1","","Loong, Hao; Zhou, Jiadong; Jiang, Nianqiang; Feng, Yi; Xie, Guojing; Liu, Linlin; Xie, Zengqi","Photoinduced Cascading Charge Transfer in Perylene Bisimide-Based Triads.","The journal of physical chemistry. B","2022","126","12","2441","2448","10.1021/acs.jpcb.2c00965","","x-ray","1.54184","CuKα","","0.1754","0.1474","","","0.3999","0.4403","","","","","","1.264","","","","has coordinates,has disorder","274290","2022-04-04","00:04:17",""
"1566738","12.1514","0.0012","26.995","0.002","10.64","0.001","90","","99.479","0.003","90","","3442.6","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)","10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)","","- C46 H31 N3 O2 -","- C46 H31 N3 O2 -","- C184 H124 N12 O8 -","4","1","","Dey, Suvendu; Hasan, Monirul; Shukla, Atul; Acharya, Nirmalya; Upadhyay, Manoj; Lo, Shih-Chun; Namdas, Ebinazar B.; Ray, Debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Asymmetric Phenoxazine-Quinoline (D2–A) Conjugates and Dual Electroluminescence","The Journal of Physical Chemistry C","2022","126","12","5649","5657","10.1021/acs.jpcc.2c00512","","","0.71073","MoKα","","0.1476","0.0671","","","0.1729","0.2335","","","","","","1.025","","","","has coordinates","274291","2022-04-04","00:23:57",""
"1566739","6.562","0.0008","14.232","0.0017","14.4563","0.0019","90","","90","","90","","1350.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines","Chemical Science","2022","13","11","3227","3232","10.1039/D1SC06729J","","","1.54178","CuKα","","0.0317","0.0314","","","0.0806","0.0807","","","","","","1.106","","","","has coordinates","274302","2022-04-04","07:43:31",""
"1566740","21.8423","0.0011","11.6968","0.0006","19.7476","0.001","90","","98.58","0.002","90","","4988.8","0.4","110","","110","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H10 B11 Cl11 F6 -","- C20 H10 B11 Cl11 F6 -","- C120 H60 B66 Cl66 F36 -","6","1.5","","Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity","Chemical Science","2022","","","","","10.1039/D1SC05936J","","","0.71073","MoKα","","0.0264","0.0224","","","0.0531","0.0542","","","","","","1.061","","","","has coordinates,has disorder","274358","2022-04-05","22:19:29",""
"1566741","12.5709","0.0005","13.3424","0.0005","23.0855","0.0009","83.592","0.002","88.189","0.002","73.431","0.002","3688.1","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H17 B11 Cl12.5 F2 -","- C24.5 H17 B11 Cl12.5 F2 -","- C98 H68 B44 Cl50 F8 -","4","2","","Gunther, S. Olivia; Lee, Chun-I; Song, Ellen; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Isolable Fluorinated Triphenymethyl Cation Salts of [HCB11Cl11]-: Demonstration of Remarkable Hydride Affinity","Chemical Science","2022","","","","","10.1039/D1SC05936J","","","1.54178","CuKα","","0.0744","0.0685","","","0.1643","0.1682","","","","","","1.066","","","","has coordinates,has disorder","274358","2022-04-05","22:19:30",""
"1566742","10.9971","0.0001","21.3867","0.0002","28.861","0.0002","76.152","0.001","85.884","0.001","86.204","0.001","6565.14","0.1","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C184 H128 O8 -","- C184 H128 O8 -","- C368 H256 O16 -","2","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.052","0.0434","","","0.1171","0.1243","","","","","","1.046","","","","has coordinates","274359","2022-04-05","22:21:45",""
"1566743","10.26982","0.00017","12.9","0.0002","13.4161","0.0002","101.787","0.0013","98.9295","0.0013","108.913","0.0015","1598.21","0.05","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C45 H34 O2 -","- C45 H34 O2 -","- C90 H68 O4 -","2","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.0582","0.0529","","","0.1489","0.1561","","","","","","1.082","","","","has coordinates","274359","2022-04-05","22:21:46",""
"1566744","10.4122","0.0003","11.1627","0.0003","14.3485","0.0003","103.578","0.002","103.147","0.002","112.391","0.003","1402.62","0.08","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C41 H26 O -","- C41 H26 O -","- C82 H52 O2 -","2","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.067","0.0554","","","0.1469","0.1579","","","","","","1.059","","","","has coordinates","274359","2022-04-05","22:21:46",""
"1566745","10.9952","0.0002","14.137","0.0002","21.6909","0.0003","104.76","0.001","97.213","0.001","100.584","0.001","3151.76","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C77 H89 Ni O3 P2 -","- C77 H89 Ni O3 P2 -","- C154 H178 Ni2 O6 P4 -","2","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.0863","0.0728","","","0.2025","0.2335","","","","","","1.126","","","","has coordinates","274359","2022-04-05","22:21:47",""
"1566746","33.7405","0.0002","13.5307","0.0001","24.6084","0.0002","90","","105.039","0.001","90","","10849.8","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C138 H152 Ni2 O2 P4 -","- C138 H152 Ni2 O2 P4 -","- C552 H608 Ni8 O8 P16 -","4","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.0582","0.0531","","","0.1383","0.1423","","","","","","1.028","","","","has coordinates","274359","2022-04-05","22:21:47",""
"1566747","13.0907","0.0005","10.1466","0.0003","22.1188","0.0007","90","","94.055","0.003","90","","2930.6","0.17","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 O -","- C43 H30 O -","- C172 H120 O4 -","4","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","1.54184","CuKα","","0.0956","0.0647","","","0.1735","0.1899","","","","","","1.05","","","","has coordinates","274359","2022-04-05","22:21:47",""
"1566748","19.0889","0.0005","15.9034","0.0004","18.9504","0.0007","90","","106.854","0.004","90","","5505.8","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 N4 Ni2 O6 -","- C59 H64 N4 Ni2 O6 -","- C236 H256 N16 Ni8 O24 -","4","1","","Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru","Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC01394K","","x-ray","0.71073","MoKα","","0.0462","0.0365","","","0.0991","0.1041","","","","","","1.061","","","","has coordinates","274359","2022-04-05","22:21:47",""
"1566749","4.487","0.0003","9.3652","0.0006","13.1716","0.0008","90","","97.27","0.006","90","","549.04","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F6 N2 -","- C12 H4 F6 N2 -","- C24 H8 F12 N4 -","2","0.5","","Peng, Hang; Qi, Jun-Chao; Song, Xian-Jiang; Xiong, Ren-Gen; Liao, Wei-Qiang","An Unprecedented Azobenzene-Based Organic Single-Component Ferroelectric","Chemical Science","2022","","","","","10.1039/D2SC00689H","","x-ray","0.71073","MoKα","","0.0915","0.0485","","","0.1165","0.1367","","","","","","1.018","","","","has coordinates","274360","2022-04-05","22:22:52",""
"1566750","3.76719","0.00012","6.2632","0.0002","24.1516","0.0007","90","","92.008","0.003","90","","569.5","0.03","298","17","297.96","0.17","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H6 F5 N3 -","- C12 H6 F5 N3 -","- C24 H12 F10 N6 -","2","1","","Peng, Hang; Qi, Jun-Chao; Song, Xian-Jiang; Xiong, Ren-Gen; Liao, Wei-Qiang","An Unprecedented Azobenzene-Based Organic Single-Component Ferroelectric","Chemical Science","2022","","","","","10.1039/D2SC00689H","","x-ray","1.54184","CuKα","","0.0574","0.0539","","","0.1505","0.1575","","","","","","1.124","","","","has coordinates","274360","2022-04-05","22:22:53",""
"1566751","24.6083","0.0008","12.7106","0.0005","23.5913","0.0008","90","","114.206","0.004","90","","6730.2","0.5","249.99","0.1","249.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C123 H116 F21 N12 O21 Rh4 S7 -","- C118 H116 F6 N12 O6 Rh4 S2 -","- C236 H232 F12 N24 O12 Rh8 S4 -","2","0.5","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","x-ray","1.54178","CuKα","","0.0945","0.0737","","","0.2033","0.2326","","","","","","1.025","","","","has coordinates","274361","2022-04-05","22:25:33",""
"1566752","21.3182","0.0015","15.4343","0.001","19.1459","0.0014","90","","99.14","0.004","90","","6219.6","0.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C211.76 H184 F35.28 Ir8 N8 O51.28 S11.76 -","- C206 H184 F18 Ir8 N8 O34 S6 -","- C206 H184 F18 Ir8 N8 O34 S6 -","1","0.25","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","","1.34139","GaKα","","0.0733","0.0523","","","0.134","0.1452","","","","","","1.063","","","","has coordinates,has disorder","274361","2022-04-05","22:25:34",""
"1566753","15.5383","0.0004","19.2201","0.0005","41.5739","0.0012","90","","94.273","0.002","90","","12381.4","0.6","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C113.5 H132 F12 N4 O24.5 Rh4 S4 -","- C104 H104 F12 N4 O20 Rh4 S4 -","- C416 H416 F48 N16 O80 Rh16 S16 -","4","2","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","","0.71073","MoKα","","0.11","0.0834","","","0.2272","0.2525","","","","","","1.013","","","","has coordinates,has disorder","274361","2022-04-05","22:25:34",""
"1566754","29.3957","0.0012","27.2297","0.0011","40.625","0.003","90","","90","","90","","32518","3","150","0.1","150","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C268 H233 F60 N8 O76 Rh8 S20 -","- C248 H233 N8 O16 Rh8 -","- C992 H932 N32 O64 Rh32 -","4","1","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","x-ray","1.54178","CuKα","","0.2019","0.0973","","","0.1601","0.2025","","","","","","1.016","","","","has coordinates","274361","2022-04-05","22:25:34",""
"1566755","20.474","0.005","34.09","0.009","38.801","0.01","90","","105.086","0.012","90","","26148","12","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C366 H318 F54 N24 O94 Rh14 S18 -","- C348 H318 N24 O40 Rh14 -","- C696 H636 N48 O80 Rh28 -","2","0.5","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","","1.34139","GaKα","","0.1552","0.1024","","","0.2124","0.2336","","","","","","1.146","","","","has coordinates","274361","2022-04-05","22:25:34",""
"1566756","23.67","0.002","36.843","0.003","25.731","0.002","90","","112.251","0.004","90","","20768","3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C366 H300 F54 N12 O78 Rh12 S18 -","- C356 H300 F24 N12 O48 Rh12 S8 -","- C712 H600 F48 N24 O96 Rh24 S16 -","2","0.5","","Dang, Li-Long; Li, Ting-Ting; Zhang, Ting-Ting; Zhao, Ying; Chen, Tian; Gao, Xiang; Ma, Lufang; Jin, Guo-Xin","Highly selective synthesis and near-infrared photothermal conversion of metalla-Borromean ring and [2]catenane assemblies","Chemical Science","2022","","","","","10.1039/D2SC00437B","","","1.34138","GaKα","","0.18","0.1207","","","0.2638","0.2901","","","","","","1.093","","","","has coordinates","274361","2022-04-05","22:25:35",""
"1566757","5.1815","0.0002","18.2321","0.0011","8.8085","0.0005","90","","90","","90","","832.14","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Magnesium iron aluminium catena-alumosilicate","Magnesium iron aluminium catena-alumosilicate","Enstatite","- Al0.067 Fe0.067 Mg1.94 O6 Si1.93 -","- Al0.067 Fe0.067 Mg1.933 O6 Si1.933 -","- Al0.536 Fe0.536 Mg15.464 O48 Si15.464 -","8","1","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0327","0.0253","","","0.0364","0.0391","","","","1.85","1.85","1.87","","","","has coordinates,has Fobs","275879","2022-06-07","14:05:49",""
"1566758","4.194","0.002","4.525","0.001","6.191","0.0001","90","","90","","90","","117.49","0.06","293","","293","","","","","","","","high-pressure high-temperature synthesis","4","P b n m","-P 2c 2ab","62","magnesium iron catena-silicate","magnesium iron catena-silicate","","- Fe0.091 Mg0.909 O3 Si -","- Fe0.091 Mg0.909 O3 Si -","- Fe0.364 Mg3.636 O12 Si4 -","4","0.5","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0417","0.0412","","","0.1144","0.1146","","","","3.68","3.68","3.55","","","","has coordinates","275879","2022-06-07","14:05:50",""
"1566759","9.036","0.0001","9.036","0.0001","9.036","0.0001","90","","90","","90","","737.783","0.014","293","","293","","","","","","","","","2","I m -3","-I 2 2 3","204","Cobalt antimonide (1/3)","Cobalt antimonide (1/3)","","- Co Sb3 -","- Co Sb3 -","- Co8 Sb24 -","8","0.166667","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0154","0.0121","","","0.0324","0.0431","","","","1.06","1.06","1.34","","","","has coordinates","275879","2022-06-07","14:05:50",""
"1566760","25.01159","0.00015","19.41543","0.00012","33.7313","0.0002","90","","100.884","0.0006","90","","16085.6","0.17","119.99","0.1","119.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C151 H250 Al4 K4 N8 O4 S4 Si8 -","- C112 H184 Al4 K4 N8 O4 S4 Si8 -","- C448 H736 Al16 K16 N32 O16 S16 Si32 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0485","0.0386","","","0.1063","0.1123","","","","","","1.024","","","","has coordinates","274416","2022-04-07","22:09:32",""
"1566761","15.4374","0.0002","13.47603","0.00018","22.5971","0.0003","90","","93.2318","0.0013","90","","4693.51","0.11","119.98","0.1","119.98","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H140 Al2 K2 N4 O12 Se2 Si4 -","- C82 H140 Al2 K2 N4 O12 Se2 Si4 -","- C164 H280 Al4 K4 N8 O24 Se4 Si8 -","2","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0436","0.035","","","0.0866","0.0918","","","","","","1.006","","","","has coordinates","274416","2022-04-07","22:09:33",""
"1566762","14.78551","0.0001","13.04163","0.00007","25.96015","0.00016","90","","104.132","0.0006","90","","4854.33","0.05","119.98","0.1","119.98","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H66 Al K N2 O3 S Si2 -","- C49 H66 Al K N2 O3 S Si2 -","- C196 H264 Al4 K4 N8 O12 S4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0513","0.0482","","","0.1311","0.1337","","","","","","1.057","","","","has coordinates,has disorder","274416","2022-04-07","22:09:33",""
"1566763","9.75833","0.00009","31.8983","0.0003","17.54162","0.00015","90","","92.6949","0.0008","90","","5454.21","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H80 Al K N2 O5 Se Si2 -","- C53 H80 Al K N2 O5 Se Si2 -","- C212 H320 Al4 K4 N8 O20 Se4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0361","0.0311","","","0.0761","0.0789","","","","","","1.023","","","","has coordinates,has disorder","274416","2022-04-07","22:09:33",""
"1566764","10.0626","0.0004","17.1004","0.0006","17.2361","0.0006","88.851","0.003","83.037","0.003","84.293","0.003","2929.33","0.19","149.95","0.15","149.95","0.15","","","","","","","","8","P -1","-P 1","2","","","","- C50 H90 Al K N4 O8 S Si2 -","- C50 H90 Al K N4 O8 S Si2 -","- C100 H180 Al2 K2 N8 O16 S2 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0876","0.0612","","","0.1382","0.151","","","","","","1.083","","","","has coordinates,has disorder","274416","2022-04-07","22:09:33",""
"1566765","15.45971","0.00016","12.3875","0.00013","24.7548","0.0003","90","","90.4615","0.001","90","","4740.57","0.09","122","2","122","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H66 Al K N2 O3 S Si2 -","- C45 H66 Al K N2 O3 S Si2 -","- C180 H264 Al4 K4 N8 O12 S4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0356","0.0312","","","0.0779","0.081","","","","","","1.027","","","","has coordinates","274416","2022-04-07","22:09:34",""
"1566766","12.27766","0.00009","24.87997","0.00017","14.9006","0.00011","90","","94.3187","0.0006","90","","4538.73","0.06","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C148 H264 Al4 K4 N8 O20 S4 Si8 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0365","0.0356","","","0.0955","0.0965","","","","","","1.022","","","","has coordinates,has disorder","274416","2022-04-07","22:09:34",""
"1566767","14.84213","0.00008","13.02613","0.00007","26.0062","0.00015","90","","103.725","0.0005","90","","4884.35","0.05","119.97","0.11","119.97","0.11","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H66 Al K N2 O3 Se Si2 -","- C49 H66 Al K N2 O3 Se Si2 -","- C196 H264 Al4 K4 N8 O12 Se4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.","Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds","Chemical Science","2022","","","","","10.1039/D2SC01064J","","x-ray","1.54184","CuKα","","0.0452","0.0438","","","0.1128","0.1139","","","","","","1.025","","","","has coordinates,has disorder","274416","2022-04-07","22:09:34",""
"1566768","6.0921","0.0003","8.5778","0.0005","18.726","0.0011","94.922","0.002","90.428","0.002","98.945","0.002","962.88","0.09","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(oxotremorine) fumarate bis(fumaric acid)","1-[4-(2-Oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidinium (2<i>E</i>)-but-2-enedioate bis[(2<i>E</i>)-but-2-enedioic acid]","","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","1","0.5","ZL4049","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(oxotremorine) fumarate bis(fumaric acid)","IUCrData","2022","7","4","","","10.1107/S2414314622003649","","","0.71073","MoKα","","0.0545","0.0421","","","0.1011","0.1089","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","274428","2022-04-08","02:15:43",""
"1566769","17.3","0.003","17.4","","18.975","0.003","90","","90","","90","","5711.9","1.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H28 Bi N4 O9 -","- C48 H28 Bi N4 O9 -","- C192 H112 Bi4 N16 O36 -","4","1","","Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si","A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides","Catalysis Science & Technology","2022","12","10","3254","3260","10.1039/D2CY00387B","","x-ray","0.71073","MoKα","","0.0786","0.0474","","","0.0899","0.0964","","","","","","0.719","","","","has coordinates","275776","2022-06-06","01:37:08",""
"1566770","20.799","0.0005","14.2717","0.0004","20.0159","0.0006","90","","114.881","0.001","90","","5390","0.3","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C54 H78 Cl2 N10 O4 -","- C54 H78 Cl2 N10 O4 -","- C216 H312 Cl8 N40 O16 -","4","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.0396","0.0393","","","0.1036","0.104","","","","","","1.061","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566771","13.8456","0.0013","13.8504","0.0012","26.594","0.002","98.63","0.003","90.112","0.003","101.91","0.003","4930.7","0.7","150","2","149.98","","","","","","","","","5","P 1","P 1","1","","","","- C198 H239 N40 O31 P2 -","- C198 H239 N40 O31 P2 -","- C198 H239 N40 O31 P2 -","1","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.1353","0.0726","","","0.1712","0.2063","","","","","","1.001","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566772","13.007","0.0012","20.8259","0.0016","13.9625","0.0014","90","","106.566","0.003","90","","3625.2","0.6","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H96 N15 O13 P -","- C67 H96 N15 O13 P -","- C134 H192 N30 O26 P2 -","2","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.1797","0.0954","","","0.2187","0.2734","","","","","","1.038","","","","has coordinates","274436","2022-04-08","22:17:23",""
"1566773","11.9428","0.0005","25.5121","0.0009","12.5127","0.0004","90","","92.975","0.001","90","","3807.3","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H44 Cl2 N12 O5 -","- C77 H116 Cl2 N12 O5 -","- C154 H232 Cl4 N24 O10 -","2","1","","Li, Hongfei; Kou, Lei; Liang, Lin; Li, Boyang; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao","Anion-coordination-driven single-double helix switching and chiroptical molecular switch based on oligoureas","Chemical Science","2022","","","","","10.1039/D2SC00876A","","","0.71073","MoKα","","0.0434","0.0425","","","0.1156","0.1166","","","","","","0.732","","","","has coordinates","274436","2022-04-08","22:17:24",""
"1566774","8.4867","0.0018","12.972","0.003","18.128","0.004","105.478","0.007","90.206","0.007","96.312","0.008","1910.5","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H18 N -","- C29 H18 N -","- C116 H72 N4 -","4","2","","Wei, Xiao; Xu, Chao; Li, Hao; Kang, Xi; Zhu, Manzhou","Fabrication of a Family of Atomically Precise Silver Nanoclusters via Dual-Level Kinetical Control","Chemical Science","2022","","","","","10.1039/D2SC01016J","","","0.71073","MoKα","","0.1028","0.0555","","","0.1304","0.153","","","","","","1.003","","","","has coordinates","274448","2022-04-10","22:06:45",""
"1566775","15.0763","0.0003","9.9694","0.0002","19.4363","0.0004","90","","103.775","0.002","90","","2837.29","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B2 N2 O4 -","- C30 H38 B2 N2 O4 -","- C120 H152 B8 N8 O16 -","4","1","","Li, Manhong; Liu, Siqi; Bao, Haoshi; Li, Qini; Deng, Yi-Hui; Sun, Tian-Yu; Wang, Leifeng","Photoinduced metal-free borylation of aryl halides catalysed by an in situ formed donor–acceptor complex","Chemical Science","2022","","","","","10.1039/D2SC00552B","","x-ray","1.54184","CuKα","","0.0616","0.0512","","","0.1356","0.1438","","","","","","1.055","","","","has coordinates","274453","2022-04-11","22:16:35",""
"1566776","16.24036","0.00009","14.66026","0.00007","22.76116","0.00011","90","","101.713","0.0005","90","","5306.3","0.05","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H71.75 Li5 Ni2 O5 -","- C56 H71.75 Li5 Ni2 O5 -","- C224 H287 Li20 Ni8 O20 -","4","1","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","x-ray","1.54184","CuKα","","0.0443","0.041","","","0.1167","0.1203","","","","","","1.035","","","","has coordinates,has disorder","274454","2022-04-11","22:18:29",""
"1566777","18.677","0.0008","19.8681","0.0007","39.575","0.0016","90","","91.001","0.002","90","","14683.1","1","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H224 Br4 Li12 Ni4 O16 -","- C128 H224 Br4 Li12 Ni4 O16 -","- C512 H896 Br16 Li48 Ni16 O64 -","4","1","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","","0.71073","MoKα","","0.106","0.0675","","","0.1755","0.1962","","","","","","1.027","","","","has coordinates","274454","2022-04-11","22:18:29",""
"1566778","13.176","0.0012","14.1453","0.0012","15.9321","0.0015","101.573","0.003","103.502","0.004","101.439","0.003","2733.3","0.4","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H73 Li6 Ni2 O4 -","- C58 H73 Li6 Ni2 O4 -","- C116 H146 Li12 Ni4 O8 -","2","1","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","","0.71073","MoKα","","0.1336","0.0624","","","0.1437","0.1806","","","","","","1.003","","","","has coordinates","274454","2022-04-11","22:18:30",""
"1566779","19.0297","0.0012","12.2915","0.0008","21.1653","0.0013","90","","110.588","0.002","90","","4634.5","0.5","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H124 Li12 N4 Ni4 O12 -","- C88 H124 Li12 N4 Ni4 O12 -","- C176 H248 Li24 N8 Ni8 O24 -","2","0.5","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","","0.71073","MoKα","","0.121","0.0659","","","0.1568","0.2037","","","","","","1.048","","","","has coordinates","274454","2022-04-11","22:18:30",""
"1566780","11.6655","0.0001","12.7905","0.0002","22.787","0.0002","104.121","0.001","90.47","0.001","109.712","0.001","3088.75","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Na4 Ni2 O6 -","- C64 H92 Na4 Ni2 O6 -","- C128 H184 Na8 Ni4 O12 -","2","1","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","x-ray","1.54184","CuKα","","0.0424","0.0398","","","0.1026","0.1044","","","","","","1.034","","","","has coordinates,has disorder","274454","2022-04-11","22:18:30",""
"1566781","21.45144","0.00013","17.82545","0.0001","22.25202","0.00014","90","","109.731","0.0007","90","","8009.22","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H126 Na6 Ni2 O6 -","- C80 H126 Na6 Ni2 O6 -","- C320 H504 Na24 Ni8 O24 -","4","0.5","","Somerville, Rosie J.; Campos, Jesús; Carmona, Ernesto; Grabowsky, Simon; Malaspina, Lorraine A.; Balcells, David; Hevia, Eva; Nova, Ainara; Pérez-Jiménez, Marina; Borys, Andryj M.","Unmasking the constitution and bonding of the proposed lithium nickelate “Li3NiPh3(solv)3”: Revealing the hidden C6H4 ligand","Chemical Science","2022","","","","","10.1039/D2SC01244H","","x-ray","1.54184","CuKα","","0.0509","0.0494","","","0.1357","0.1369","","","","","","1.057","","","","has coordinates,has disorder","274454","2022-04-11","22:18:30",""
"1566782","45.98","0.002","45.98","0.002","9.5196","0.0007","90","","90","","120","","17429.6","1.7","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C188.19 H213.43 N59.05 Ni6 O59.05 -","- C188.184 H213.414 N59.046 Ni6 O59.046 -","- C564.552 H640.242 N177.138 Ni18 O177.138 -","3","0.166667","","Cui, Mengxing; Murase, Ryuichi; Shen, Yongbing; Sato, Tetsu; Koyama, Shohei; Uchida, Kaiji; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki","An electrically conductive metallocycle: densely packed molecular hexagons with π-stacked radicals","Chemical Science","2022","","","","","10.1039/D2SC00447J","","","0.71073","MoKα","","0.2263","0.0992","","","0.2428","0.2908","","","","","","1.028","","","","has coordinates","274455","2022-04-11","22:19:36",""
"1566783","10.3083","0.0003","24.752","0.0007","10.4153","0.0004","90","","108.265","0.004","90","","2523.58","0.15","303.04","0.1","303.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N5 O2 -","- C26 H35 N5 O2 -","- C104 H140 N20 O8 -","4","1","","Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min","Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies","Chemical Science","2022","","","","","10.1039/D2SC00764A","","x-ray","1.54184","CuKα","","0.083","0.0625","","","0.1861","0.2029","","","","","","1.046","","","","has coordinates,has disorder","274496","2022-04-12","22:13:23",""
"1566784","6.36816","0.00005","31.0073","0.0003","10.01092","0.00009","90","","97.3165","0.0008","90","","1960.66","0.03","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br N3 O -","- C20 H26 Br N3 O -","- C80 H104 Br4 N12 O4 -","4","1","","Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min","Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies","Chemical Science","2022","","","","","10.1039/D2SC00764A","","x-ray","1.54184","CuKα","","0.0283","0.0272","","","0.0656","0.0663","","","","","","1.067","","","","has coordinates","274496","2022-04-12","22:13:25",""
"1566785","19.4831","0.0008","10.88","0.0004","9.8987","0.0003","90","","99.028","0.003","90","","2072.29","0.13","302.58","0.1","302.58","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C88 H120 N8 O8 -","4","1","","Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min","Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies","Chemical Science","2022","","","","","10.1039/D2SC00764A","","x-ray","1.54184","CuKα","","0.0976","0.0771","","","0.236","0.2523","","","","","","1.085","","","","has coordinates","274496","2022-04-12","22:13:25",""
"1566786","9.664","","9.664","","6.33","","90","","90","","90","","591.177","","299","2","299","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- O S6 Sn2 Sr2 Zn -","- O S6 Sn2 Sr2 Zn -","- O2 S12 Sn4 Sr4 Zn2 -","2","0.25","","Cheng, Yansong; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Rational Design of a Promising Oxychalcogenide Infrared Nonlinear Optical Crystal","Chemical Science","2022","","","","","10.1039/D2SC00099G","","","0.71073","MoKα","","0.0243","0.0207","","","0.0346","0.0357","","","","","","1.044","","","","has coordinates","274497","2022-04-12","22:14:03",""
"1566787","39.1632","0.0009","5.9464","0.0002","27.7746","0.0007","90","","96.8606","0.0016","90","","6421.8","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","PD1","[benzene-1,4-diylbis(ethyne-2,1-diylpentacene-13,6-diylethyne-2,1-diyl)]bis[tris(2-methylpropyl)silane]","","- C82 H82 Si2 -","- C82 H82 Si2 -","- C328 H328 Si8 -","4","0.5","","Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo","Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers","Chemical Science","2022","","","","","10.1039/D1SC06285A","","","1.54178","CuKα","","0.062","0.0453","","","0.1107","0.1202","","","","","","1.037","","","","has coordinates","274498","2022-04-12","22:15:04",""
"1566788","8.3982","0.0006","34.669","0.002","16.6828","0.0009","90","","90.028","0.004","90","","4857.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PD2","[{2,5-bis[(tripropan-2-ylsilyl)ethynyl]benzene-1,4-diyl}bis(ethyne-2,1-diylpenta-cene-13,6-diylethyne-2,1-diyl)]bis[tris(2-methylpropyl)silane]?2CH2Cl2","","- C106 H126 Cl4 Si4 -","- C106 H126 Cl4 Si4 -","- C212 H252 Cl8 Si8 -","2","0.5","","Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo","Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers","Chemical Science","2022","","","","","10.1039/D1SC06285A","","","1.54178","CuKα","","0.1106","0.0753","","","0.2036","0.2281","","","","","","1.059","","","","has coordinates,has disorder","274498","2022-04-12","22:15:04",""
"1566789","8.0655","0.0003","14.6582","0.0005","41.104","0.0012","90","","91.616","0.002","90","","4857.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PD3","[{2,5-bis[tris(2-methylpropyl)silyl]benzene-1,4-diyl}bis(ethyne-2,1-diylpentacene-13,6-diylethyne-2,1-diyl)]bis[tris(2-methylpropyl)silane]?0.65CH2Cl2 solvate","","- C106.65 H135.3 Cl1.3 Si4 -","- C106 H134 Si4 -","- C212 H268 Si8 -","2","0.5","","Ringström, Rasmus; Edhborg, Fredrik; Schroeder, Zachary W.; Chen, Lan; Ferguson, Michael J.; Tykwinski, Rik R.; Albinsson, Bo","Molecular rotational conformation controls the rate of singlet fission and triplet decay in pentacene dimers","Chemical Science","2022","","","","","10.1039/D1SC06285A","","","1.54178","CuKα","","0.0703","0.052","","","0.13","0.1413","","","","","","1.036","","","","has coordinates,has disorder","274498","2022-04-12","22:15:05",""
"1566790","9.1574","0.0005","12.0339","0.0006","14.0667","0.0007","91.989","0.001","96.924","0.001","102.996","0.001","1496.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine bis(1,2,3,5-tetrafluoro-4,6-diiodobenzene)","","- C26 H13 F8 I4 N3 -","- C26 H13 F8 I4 N3 -","- C52 H26 F16 I8 N6 -","2","1","HB4404","Bosch, Eric; Bowling, Nathan P.","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2)","IUCrData","2022","7","4","x220380","","10.1107/S2414314622003807","","","0.71073","MoKα","","0.0229","0.0202","","","0.0452","0.0463","","","","","","1.09","","","","has coordinates,has Fobs","274506","2022-04-13","02:14:29",""
"1566791","11.4082","0.0016","13.035","0.002","14.939","0.002","66.497","0.006","68.941","0.006","83.213","0.007","1900.3","0.5","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C38 H63 In N2 O3 -","- C38 H63 In N2 O3 -","- C76 H126 In2 N4 O6 -","2","1","","Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard","Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters","Catalysis Science & Technology","2022","12","10","3295","3302","10.1039/D2CY00436D","","x-ray","0.71073","MoKα","","0.051","0.0418","","","0.1004","0.1049","","","","","","0.997","","","","has coordinates","275778","2022-06-06","01:37:27",""
"1566792","8.3698","0.0002","8.6024","0.0002","11.6963","0.0002","103.438","0.002","103.111","0.002","102.977","0.002","762.79","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","R)-3-Methyl-2-(phenyl(thiophen-2-yl)methyl)-1H-indole","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","2","","Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei","Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes","Chemical Science","2022","","","","","10.1039/D2SC00636G","","x-ray","1.54184","CuKα","","0.0389","0.038","","","0.1012","0.1022","","","","","","1.056","","","","has coordinates,has disorder","274513","2022-04-13","22:14:50",""
"1566793","8.4366","0.0004","8.5299","0.0004","11.8199","0.0006","103.482","0.004","103.756","0.004","102.858","0.004","767.86","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","(S)-3-Methyl-2-(phenyl(thiophen-3-yl)methyl)-1H-indole","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","2","","Yan, Qiaolin; Duan, Meng; Chen, Cien; Deng, Zhiqin; Wu, Mandi; Yu, Peiyuan; He, Ming-Liang; Zhu, Guangyu; Houk, Kendall N.; Sun, Jianwei","Organocatalytic Discrimination of Non-Directing Aryl and Heteroaryl Groups: Enantioselective Synthesis of Bioactive Indole-Containing Triarylmethanes","Chemical Science","2022","","","","","10.1039/D2SC00636G","","x-ray","1.54184","CuKα","","0.0371","0.0367","","","0.0964","0.0966","","","","","","1.042","","","","has coordinates,has disorder","274513","2022-04-13","22:14:51",""
"1566794","5.8199","0.0008","11.7062","0.0014","18.082","0.002","90","","90","","90","","1231.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 F6 O -","- C14 H12 F6 O -","- C56 H48 F24 O4 -","4","1","","Sathe, Devavrat; Zhou, Junfeng; Chen, Hanlin; Schrage, Briana R.; Yoon, Seiyoung; Wang, Zeyu; Ziegler, Christopher J.; Wang, Junpeng","Depolymerizable semi-fluorinated polymers for sustainable functional materials","Polymer Chemistry","2022","13","18","2608","2614","10.1039/D2PY00240J","","","0.71073","MoKα","","0.0944","0.0775","","","0.2021","0.216","","","","","","1.059","","","","has coordinates","275833","2022-06-06","02:07:19",""
"1566795","16.3636","0.0001","19.5224","0.0001","23.3873","0.0001","108.669","0.001","108.321","0.001","92.112","0.001","6640.37","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C155 H119 Er2 N16 O21 Pr -","- C150 H114 Er2 N15 O21 Pr -","- C300 H228 Er4 N30 O42 Pr2 -","2","1","","Aromi, Guillem; Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoní A.; Aguilà, David; Reta, Daniel; Roubeau, Olivier; Bo, Carles; Tuna, Floriana; Martins, Daniel O. T. A.","Unparalleled selectivity and electronic structure of heterometallic [LnLn’Ln] molecules as 3-qubit quantum gates","Chemical Science","2022","","","","","10.1039/D2SC00436D","","","0.72932","synchrotron","","0.0645","0.0562","","","0.1733","0.18","","","","","","1.118","","","","has coordinates,has disorder","274530","2022-04-14","22:10:52",""
"1566796","26.268","0.002","27.835","0.002","30.643","0.003","87.768","0.002","71.483","0.002","69.654","0.002","19855","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C463 H730 N26 O239 P8 V52 -","- C362 H418 N4 O218 P8 V52 -","- C362 H418 N4 O218 P8 V52 -","1","0.5","","Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui","Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid","Chemical Science","2022","","","","","10.1039/D2SC00533F","","","0.71073","MoKα","","0.2064","0.1133","","","0.2957","0.3927","","","","","","1.01","","","","has coordinates","274531","2022-04-14","22:12:54",""
"1566797","20.5891","0.0017","28.609","0.002","33.168","0.003","113.872","0.002","92.142","0.002","103.627","0.002","17168","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C423 H697 N33 O273 S8 V54 -","- C328 H424 N8 O232 S8 V54 -","- C328 H424 N8 O232 S8 V54 -","1","0.5","","Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui","Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid","Chemical Science","2022","","","","","10.1039/D2SC00533F","","","0.71073","MoKα","","0.2529","0.1495","","","0.3398","0.4042","","","","","","1.052","","","","has coordinates","274531","2022-04-14","22:12:55",""
"1566798","45.21","0.002","27.4006","0.0014","55.215","0.004","90","","113.919","0.001","90","","62525","6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C462 H719 N29 O236 P8 S0 V48 -","- C373 H449 N8 O211 P8 V48 -","- C1492 H1796 N32 O844 P32 V192 -","4","0.5","","Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui","Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid","Chemical Science","2022","","","","","10.1039/D2SC00533F","","","0.71073","MoKα","","0.1828","0.1445","","","0.4306","0.4952","","","","","","1.051","","","","has coordinates","274531","2022-04-14","22:12:55",""
"1566799","10.5717","0.001","11.0365","0.001","12.4271","0.0012","67.8112","0.0011","87.4492","0.0012","79.2874","0.0012","1318.6","0.2","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H75 N4 Y2 -","- C61 H75 N4 Y2 -","- C61 H75 N4 Y2 -","1","0.5","","Benner, Florian; Demir, Selvan","Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex","Chemical Science","2022","","","","","10.1039/D1SC07245E","","","0.71073","MoKα","","0.0616","0.0457","","","0.1085","0.117","","","","","","1.053","","","","has coordinates,has disorder","274533","2022-04-14","22:13:52",""
"1566800","13.03","0.0002","18.0681","0.0004","18.371","0.0003","86.907","0.002","78.05","0.001","76.349","0.002","4111.72","0.13","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 K N6 O9 Y2 -","- C84 H128 K N6 O9 Y2 -","- C168 H256 K2 N12 O18 Y4 -","2","1","","Benner, Florian; Demir, Selvan","Isolation of the elusive bisbenzimidazole Bbim3−˙ radical anion and its employment in a metal complex","Chemical Science","2022","","","","","10.1039/D1SC07245E","","x-ray","0.71073","MoKα","","0.0641","0.0458","","","0.1038","0.1102","","","","","","1.028","","","","has coordinates,has disorder","274533","2022-04-14","22:13:53",""
"1566801","15.2933","0.001","5.6759","0.0009","18.003","0.003","90","","99.217","0.008","90","","1542.5","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-cyclopentyl-2-(pyridin-2-yl)-3H-naphtho[1,2-d]imidazole","HM_788","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","","Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan","Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole","Chemical Science","2022","","","","","10.1039/D2SC01420C","","","1.54178","CuKα","","0.057","0.0531","","","0.1361","0.14","","","","","","1.0483","","","","has coordinates","274534","2022-04-14","22:15:16",""
"1566802","6.1282","0.0002","14.1422","0.0004","14.4603","0.0004","90","","95.255","0.001","90","","1247.95","0.06","100","","100","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","HM","HM-643S","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","","Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan","Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole","Chemical Science","2022","","","","","10.1039/D2SC01420C","","","1.54178","CuKα","","0.0373","0.0361","","","0.0921","0.0929","","","","","","1.078","","","","has coordinates","274534","2022-04-14","22:15:17",""
"1566803","7.9957","0.0002","10.4307","0.0002","12.5078","0.0003","67.727","0.001","89.073","0.001","71.4","0.001","908.36","0.04","100","2","100","","","","","","","","","4","P -1","-P 1","2","3-cyclohexyl-1-(5-methylpyrazin-2-yl)-1,3-dihydro-2H-naphtho[1,2-d]imidazol-2-one","","","- C2.44 H2.44 N0.44 O0.11 -","- C2.44444 H2.44444 N0.444444 O0.111111 -","- C44 H44 N8 O2 -","18","9","","Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan","Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole","Chemical Science","2022","","","","","10.1039/D2SC01420C","","","1.54178","CuKα","","0.0438","0.0424","","","0.0985","0.0994","","","","","","1.088","","","","has coordinates","274534","2022-04-14","22:15:17",""
"1566804","10.9333","0.0003","7.34","0.0002","16.2518","0.0005","90","","98.655","0.001","90","","1289.36","0.06","100","","100","","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","3-methyl-2-(pyridin-2-yl)-3H-naphtho[1,2-d]imidazole","HM-430A","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan","Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole","Chemical Science","2022","","","","","10.1039/D2SC01420C","","","1.54178","CuKα","","0.0623","0.0595","","","0.1563","0.1597","","","","","","1.072","","","","has coordinates","274534","2022-04-14","22:15:18",""
"1566805","11.8246","0.0005","8.7668","0.0004","16.2183","0.0007","90","","90.457","0.002","90","","1681.2","0.13","298","","298","","","","","","","","synthetic","3","P 1 21/n 1","-P 2yn","14","3-benzyl-2-(pyridin-2-yl)-3H-naphtho[1,2-d]imidazole","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Begam, Hasina Mamataj; Nandi, Shantanu; Jana, Ranjan","Directing group switch in copper-catalyzed electrophilic C–H amination/migratory annulation cascade: divergent access to benzimidazolone/benzimidazole","Chemical Science","2022","","","","","10.1039/D2SC01420C","","","1.54178","CuKα","","0.0627","0.0584","","","0.1416","0.1448","","","","","","1.073","","","","has coordinates","274534","2022-04-14","22:15:18",""
"1566806","8.7619","0.0001","9.0395","0.0001","21.2088","0.0003","90","","90","","90","","1679.8","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","","Zhang, Fangqing; Ren, Bing-Tao; Zhou, Yuqiao; Liu, Yangbin; Feng, Xiaoming","Enantioselective Construction of cis-Hydroindole Scaffolds via Asymmetric Inverse-Electron-Demand Diels–Alder Reaction: Application to the Formal Total Synthesis of (+)-Minovincine","Chemical Science","2022","","","","","10.1039/D2SC01458K","","","1.54184","CuKα","","0.0266","0.0262","","","0.0705","0.0707","","","","","","1.043","","","","has coordinates","274557","2022-04-15","22:07:44",""
"1566807","8.8712","0.0002","11.4894","0.0003","9.7181","0.0002","90","","114.973","0.0007","90","","897.91","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","a","","- C10 H9 B N2 -","- C10 H9 B N2 -","- C40 H36 B4 N8 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0336","0.0324","","","0.0847","0.0858","","","","","","1.041","","","","has coordinates","274562","2022-04-18","22:11:15",""
"1566808","9.6002","0.0003","9.8523","0.0003","10.4405","0.0003","112.05","0.002","100.947","0.002","100.116","0.002","864.9","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 B N4 -","- C21 H15 B N4 -","- C42 H30 B2 N8 -","2","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0583","0.0525","","","0.1438","0.1488","","","","","","1.075","","","","has coordinates","274562","2022-04-18","22:11:16",""
"1566809","7.6707","0.0002","8.6999","0.0003","15.3408","0.0005","95.995","0.001","100.572","0.001","91.45","0.001","999.84","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 B Cl2 N4 -","- C22 H17 B Cl2 N4 -","- C44 H34 B2 Cl4 N8 -","2","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0363","0.0335","","","0.0862","0.0884","","","","","","1.047","","","","has coordinates","274562","2022-04-18","22:11:16",""
"1566810","9.6949","0.0001","9.9989","0.0001","10.3454","0.0002","74.22","0.0008","68.3124","0.0006","89.2819","0.0007","892.41","0.02","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 B N4 O -","- C22 H17 B N4 O -","- C44 H34 B2 N8 O2 -","2","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0467","0.0386","","","0.095","0.1014","","","","","","1.041","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566811","15.4138","0.0004","5.2751","0.0001","15.4456","0.0005","90","","90","","90","","1255.87","0.06","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 B N4 -","- C15 H11 B N4 -","- C60 H44 B4 N16 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0477","0.0405","","","0.0907","0.0946","","","","","","1.086","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566812","7.1974","0.0002","14.8004","0.0005","16.7357","0.0005","90","","100.303","0.001","90","","1754.01","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 B N4 -","- C22 H17 B N4 -","- C88 H68 B4 N16 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.045","0.0438","","","0.112","0.1133","","","","","","1.045","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566813","11.0625","0.0003","11.3405","0.0003","15.4611","0.0004","90","","94.428","0.002","90","","1933.87","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 B N4 O2 -","- C23 H19 B N4 O2 -","- C92 H76 B4 N16 O8 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0766","0.0518","","","0.1234","0.1377","","","","","","1.021","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566814","11.8628","0.0005","19.2303","0.0008","11.1122","0.0004","90","","114.593","0.002","90","","2305.02","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B F6 N3 O4 -","- C24 H14 B F6 N3 O4 -","- C96 H56 B4 F24 N12 O16 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0375","0.035","","","0.0845","0.0864","","","","","","1.048","","","","has coordinates","274562","2022-04-18","22:11:17",""
"1566815","9.5849","0.0006","9.6966","0.0006","12.5042","0.0007","102.614","0.002","92.073","0.002","115.981","0.002","1007.91","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 B Cl3 N4 S -","- C20 H14 B Cl3 N4 S -","- C40 H28 B2 Cl6 N8 S2 -","2","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0271","0.0259","","","0.0654","0.0663","","","","","","1.078","","","","has coordinates,has disorder","274562","2022-04-18","22:11:17",""
"1566816","6.7975","0.0002","8.0452","0.0002","29.5872","0.0007","90","","95.797","0.001","90","","1609.77","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B N3 -","- C20 H16 B N3 -","- C80 H64 B4 N12 -","4","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0483","0.0394","","","0.0938","0.1","","","","","","1.055","","","","has coordinates","274562","2022-04-18","22:11:18",""
"1566817","8.8691","0.0002","9.7159","0.0002","11.5592","0.0003","87.751","0.001","85.002","0.001","66.221","0.001","908.04","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 B F3 N4 -","- C22 H14 B F3 N4 -","- C44 H28 B2 F6 N8 -","2","1","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0425","0.037","","","0.0974","0.1023","","","","","","1.057","","","","has coordinates,has disorder","274562","2022-04-18","22:11:18",""
"1566818","15.0807","0.0002","9.7071","0.0001","19.4956","0.0002","90","","90","","90","","2853.96","0.06","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 B2 N8 O2 -","- C34 H30 B2 N8 O2 -","- C136 H120 B8 N32 O8 -","4","0.5","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0476","0.037","","","0.0819","0.0879","","","","","","1.049","","","","has coordinates","274562","2022-04-18","22:11:18",""
"1566819","15.8665","0.0018","24.95","0.002","16.2233","0.0013","90","","99.104","0.009","90","","6341.4","1","169.99","0.1","169.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 F6 N S Sb -","- C30 H25 F6 N S Sb -","- C240 H200 F48 N8 S8 Sb8 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.1228","0.0653","","","0.1592","0.1864","","","","","","1.017","","","","has coordinates","274584","2022-04-19","22:23:10",""
"1566820","16.8923","0.0002","13.2924","0.0001","17.9856","0.0003","90","","113.172","0.002","90","","3712.68","0.1","170","0.1","170","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H45 N S -","- C48 H45 N S -","- C192 H180 N4 S4 -","4","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.046","0.041","","","0.1094","0.1128","","","","","","1.03","","","","has coordinates","274584","2022-04-19","22:23:11",""
"1566821","11.1803","0.0001","7.7394","0.0001","30.7513","0.0003","90","","99.961","0.001","90","","2620.76","0.05","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl2 N S -","- C31 H27 Cl2 N S -","- C124 H108 Cl8 N4 S4 -","4","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0557","0.0534","","","0.1357","0.1377","","","","","","1.032","","","","has coordinates,has disorder","274584","2022-04-19","22:23:11",""
"1566822","36.5917","0.0005","36.5917","0.0005","17.7385","0.0003","90","","90","","120","","20569","0.5","170","0.1","170","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C52 H47 N S -","- C52 H47 N S -","- C936 H846 N18 S18 -","18","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0443","0.0404","","","0.1079","0.1099","","","","","","1.057","","","","has coordinates","274584","2022-04-19","22:23:11",""
"1566823","7.169","0.0001","17.2492","0.0003","25.1684","0.0005","106.66","0.002","90.552","0.002","96.116","0.002","2962.06","0.09","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C74 H69 N S -","- C74 H69 N S -","- C148 H138 N2 S2 -","2","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.061","0.0547","","","0.1406","0.1453","","","","","","1.01","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566824","7.0221","0.0004","7.9102","0.0007","9.5017","0.0005","106.659","0.007","105.234","0.005","101.17","0.006","466.74","0.06","229","80","229","80","","","","","","","","4","P 1","P 1","1","","","","- C22 H20 O2 S2 -","- C22 H20 O2 S2 -","- C22 H20 O2 S2 -","1","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0827","0.0794","","","0.2371","0.2415","","","","","","1.034","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566825","23.8497","0.0009","21.8615","0.0007","7.9142","0.0003","90","","90","","90","","4126.4","0.3","201","40","201","40","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H23 N S -","- C26 H23 N S -","- C208 H184 N8 S8 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0987","0.0834","","","0.2097","0.2207","","","","","","1.068","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566826","19.5758","0.0002","8.4512","0.0001","18.7056","0.0002","90","","90","","90","","3094.64","0.06","173","0.1","173","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C144 H128 O16 S8 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0416","0.0382","","","0.0898","0.0919","","","","","","1.087","","","","has coordinates","274584","2022-04-19","22:23:12",""
"1566827","8.4229","0.0002","10.6178","0.0002","12.2594","0.0002","100.265","0.002","102.985","0.002","94.205","0.002","1043.88","0.04","230","80","230","80","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F6 O6 S3 -","- C18 H10 F6 O6 S3 -","- C36 H20 F12 O12 S6 -","2","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","x-ray","1.54184","CuKα","","0.0355","0.0331","","","0.0888","0.0905","","","","","","1.046","","","","has coordinates","274584","2022-04-19","22:23:13",""
"1566828","27.184","0.005","6.8384","0.0013","19.415","0.004","90","","133.036","0.003","90","","2638","0.9","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H11.5 F3 N0.5 S0.5 Sb0.5 -","- C13 H11.5 F3 N0.5 S0.5 Sb0.5 -","- C104 H92 F24 N4 S4 Sb4 -","8","1","","Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo","Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines","Chemical Science","2022","","","","","10.1039/D2SC01086K","","","0.71073","MoKα","","0.0864","0.059","","","0.1625","0.1914","","","","","","1.015","","","","has coordinates,has disorder","274584","2022-04-19","22:23:13",""
"1566829","7.1379","0.0015","19.799","0.004","27.542","0.005","110.801","0.005","90.566","0.009","90.757","0.007","3637.9","1.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(pyren-2-yl)-o-carborane","","- C18 H20 B10 -","- C18 H20 B10 -","- C144 H160 B80 -","8","4","","Ji, Lei; Riese, Stefan; Schmiedel, Alexander; Holzapfel, Marco; Fest, Maximillian; Nitsch, Jörn; Curchod, Basile F. E.; Friedrich, Alexandra; Wu, Lin; Al Mamari, Hamad H.; Hammer, Sebastian; Pflaum, Jens; Fox, Mark A.; Tozer, David J.; Finze, Maik; Lambert, Christoph; Marder, Todd B.","Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane","Chemical Science","2022","","","","","10.1039/D1SC06867A","","","0.71073","MoKα","","0.1396","0.1028","","","0.2479","0.2695","","","","","","1.052","","","","has coordinates","274585","2022-04-19","22:24:24",""
"1566830","9.637","0.004","9.944","0.005","27.528","0.013","95.325","0.006","97.691","0.008","96.476","0.006","2582","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","RuGelatorBz1PF6","","","- C24 H37 F6 N2 O P Ru -","- C24 H37 F6 N2 O P Ru -","- C96 H148 F24 N8 O4 P4 Ru4 -","4","2","","Sumitani, Ryo; Yamanaka, Masamichi; Mochida, Tomoyuki","On-demand gelation of ionic liquids using photoresponsive organometallic gelators.","Soft matter","2022","18","18","3479","3486","10.1039/d2sm00307d","","","0.71073","MoKα","","0.1393","0.1041","","","0.2448","0.2643","","","","","","1.098","","","","has coordinates,has disorder","275834","2022-06-06","02:08:00",""
"1566831","9.351","0.004","14.475","0.006","12.042","0.005","90","","111.149","0.009","90","","1520.2","1.1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H24 N3 P S4 -","- C36 H24 N3 P S4 -","- C72 H48 N6 P2 S8 -","2","1","","Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.","Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides","Chemical Science","2022","","","","","10.1039/D2SC00990K","","","0.71073","MoKα","","0.0242","0.021","","","0.0454","0.0467","","","","","","1.098","","","","has coordinates","274604","2022-04-20","22:11:16",""
"1566832","27.1703","0.0013","14.9942","0.0008","17.8873","0.0009","90","","111.203","0.001","90","","6793.9","0.6","273","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N3 O P S3 -","- C36 H24 N3 O P S3 -","- C288 H192 N24 O8 P8 S24 -","8","1","","Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.","Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides","Chemical Science","2022","","","","","10.1039/D2SC00990K","","","0.71073","MoKα","","0.0879","0.0535","","","0.1683","0.2186","","","","","","0.705","","","","has coordinates","274604","2022-04-20","22:11:17",""
"1566833","9.3508","0.0004","14.3508","0.0007","11.9256","0.0006","90","","111.396","0.001","90","","1490.02","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H24 N3 P0.5 S4 Se -","- C36 H24 N3 P S3 Se -","- C72 H48 N6 P2 S6 Se2 -","2","1","","Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.","Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides","Chemical Science","2022","","","","","10.1039/D2SC00990K","","","0.71073","MoKα","","0.0335","0.0264","","","0.0562","0.059","","","","","","0.927","","","","has coordinates","274604","2022-04-20","22:11:17",""
"1566834","7.6764","0.0006","5.887","0.0003","9.6143","0.0006","90","","94.575","0.004","90","","433.1","0.05","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","L-tyrosine","2-amino-3-(4-hydroxyphenyl)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C18 H22 N2 O6 -","2","1","","Smalley, Christopher J. H.; Hoskyns, Harriet E.; Hughes, Colan E.; Johnstone, Duncan N.; Willhammar, Tom; Young, Mark T.; Pickard, Christopher J.; Logsdail, Andrew J.; Midgley, Paul A.; Harris, Kenneth D. M.","A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l-tyrosine","Chemical Science","2022","","","","","10.1039/D1SC06467C","powder diffraction","x-ray","1.54056","CuKα~1~","","0.1145","","","","","","","","1.296","","","","","","","has coordinates","274605","2022-04-20","22:11:51",""
"1566835","13.5606","0.0015","14.1429","0.0016","7.6056","0.0007","90","","93.62","0.009","90","","1455.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.0671","0.0458","","","0.1241","0.1545","","","","","","1.128","","","","has coordinates","274606","2022-04-20","22:13:50",""
"1566836","7.4368","0.0005","11.5205","0.0006","11.7843","0.0005","107.748","0.004","101.471","0.005","103.216","0.006","895.98","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H19 N3 -","- C23 H19 N3 -","- C46 H38 N6 -","2","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.0675","0.0484","","","0.1389","0.1573","","","","","","1.115","","","","has coordinates","274606","2022-04-20","22:13:51",""
"1566837","7.5636","0.0002","10.607","0.0003","11.488","0.0003","104.037","0.002","99.019","0.002","104.02","0.003","844.45","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C44 H34 N6 -","2","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.0503","0.0415","","","0.1057","0.111","","","","","","1.048","","","","has coordinates","274606","2022-04-20","22:13:51",""
"1566838","10.9544","0.0012","15.459","0.0015","12.2647","0.0013","90","","113.683","0.012","90","","1902","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.1215","0.0802","","","0.2643","0.3583","","","","","","1.377","","","","has coordinates","274606","2022-04-20","22:13:51",""
"1566839","7.4603","0.0007","14.026","0.0012","19.2722","0.0015","90","","98.736","0.009","90","","1993.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C108 H76 N12 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.1169","0.0911","","","0.256","0.2871","","","","","","1.059","","","","has coordinates","274606","2022-04-20","22:13:52",""
"1566840","9.7978","0.0012","27.007","0.002","10.7502","0.0014","90","","116.236","0.016","90","","2551.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23 N3 -","- C35 H23 N3 -","- C140 H92 N12 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.1109","0.0883","","","0.2547","0.2749","","","","","","1.09","","","","has coordinates","274606","2022-04-20","22:13:52",""
"1566841","11.6662","0.0004","23.9537","0.0007","12.582","0.0004","90","","115.611","0.004","90","","3170.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 Cl2 N3 -","- C38 H23 Cl2 N3 -","- C152 H92 Cl8 N12 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.1305","0.1166","","","0.3977","0.4111","","","","","","1.755","","","","has coordinates,has disorder","274606","2022-04-20","22:13:52",""
"1566842","19.753","0.002","10.6344","0.0012","20.535","0.003","90","","90","","90","","4313.6","0.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H25 N3 -","- C26 H25 N3 -","- C208 H200 N24 -","8","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.0911","0.0596","","","0.1549","0.2038","","","","","","1.135","","","","has coordinates","274606","2022-04-20","22:13:52",""
"1566843","17.7692","0.0018","7.587","0.0006","17.8377","0.0014","90","","91.248","0.008","90","","2404.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N3 S2 -","- C29 H23 N3 S2 -","- C116 H92 N12 S8 -","4","1","","Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli","Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives","Chemical Science","2022","","","","","10.1039/D2SC00837H","","","1.3405","GaKα","","0.1065","0.0787","","","0.2282","0.2975","","","","","","1.155","","","","has coordinates","274606","2022-04-20","22:13:52",""
"1566844","14.732","0.009","10.702","0.007","7.661","0.005","90","","90","","90","","1207.8","1.3","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H11 N O2 -","- C16 H10 N O2 -","- C64 H40 N4 O8 -","4","0.5","","Owatari, Yoshihiro; Iseki, Shuta; Ogata, Daiji; Yuasa, Junpei","Catalytic electron drives host–guest recognition","Chemical Science","2022","","","","","10.1039/D2SC01342H","","","0.71073","MoKα","","0.0488","0.0466","","","0.1456","0.1485","","","","","","1.139","","","","has coordinates","274607","2022-04-20","22:14:59",""
"1566845","19.2717","0.0002","16.1154","0.0002","19.692","0.0003","90","","93.454","0.001","90","","6104.66","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C117 H190 Br6 Mg6 N8 O6 -","- C117 H190 Br6 Mg6 N8 O6 -","- C234 H380 Br12 Mg12 N16 O12 -","2","1","","Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard","Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols","Chemical Science","2022","","","","","10.1039/D1SC06350B","","","1.54184","CuKα","","0.0576","0.0432","","","0.0991","0.1078","","","","","","1.028","","","","has coordinates,has disorder","274608","2022-04-20","22:15:53",""
"1566846","15.0842","0.0002","18.1183","0.0002","15.8577","0.0002","90","","109.235","0.0009","90","","4091.96","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Br2 N O2 -","- C20 H23 Br2 N O2 -","- C160 H184 Br16 N8 O16 -","8","4","","Monasterolo, Claudio; O'Gara, Ryan; Kavanagh, Saranna; Byrne, Sadbh Elise; Bieszczad, Bartosz; Murray, Orla; Wiesinger, Michael; Lynch, Rebecca; Nikitin, Kirill; Gilheany, Declan Gerard","Asymmetric addition of Grignard reagents to ketones: culmination of the ligand-mediated methodology allows modular construction of chiral tertiary alcohols","Chemical Science","2022","","","","","10.1039/D1SC06350B","","","1.54184","CuKα","","0.0302","0.0276","","","0.0669","0.0686","","","","","","1.024","","","","has coordinates","274608","2022-04-20","22:15:54",""
"1566847","9.7766","0.0001","13.914","0.0002","21.1903","0.0003","90","","97.758","0.001","90","","2856.17","0.06","274","2","274","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","2","","Guan, Zhipeng; Zhong, Xingxing; Ye, Yayu; Li, Xiangwei; Cong, Hengjiang; Yi, Hong; Zhang, Heng; Huang, Zhiliang; Lei, Aiwen","Selective Radical Cascade (4+2) Annulation with Olefins towards the Synthesis of Chroman Derivatives via Organo-Photoredox Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00903J","","x-ray","1.54184","CuKα","","0.0627","0.049","","","0.1344","0.1451","","","","","","1.048","","","","has coordinates","274627","2022-04-21","22:13:18",""
"1566848","12.6886","0.0007","9.2655","0.0006","11.6024","0.0007","90","","105.374","0.002","90","","1315.24","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","HB4405","Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A.","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","IUCrData","2022","7","4","x220401","","10.1107/S2414314622004011","","","0.71073","MoKα","","0.1055","0.0479","","","0.0975","0.1136","","","","","","1.01","","","","has coordinates,has Fobs","274655","2022-04-23","01:57:51",""
"1566849","20.1021","0.001","21.5505","0.0009","17.9807","0.0009","90","","90","","90","","7789.4","0.6","100.08","","100.08","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","","- C50 H38 Mn N5 O3 -","- C50 H38 Mn N5 O3 -","- C400 H304 Mn8 N40 O24 -","8","1","WM4162","Cao, Hongli; Wang, Junwen; Li, Jianfeng","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","IUCrData","2022","7","4","x220386","","10.1107/S2414314622003868","","","0.71073","MoKα","","0.0752","0.0495","","","0.1278","0.148","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","274656","2022-04-23","01:58:28",""
"1566850","6.4503","0.0002","15.415","0.0005","22.904","0.0008","90","","90","","90","","2277.38","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H18 Al F9 O18 S3 -","- C3 H18 Al F9 O18 S3 -","- C12 H72 Al4 F36 O72 S12 -","4","1","","Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang","A sobering examination of the feasibility of aqueous aluminum batteries","Energy & Environmental Science","2022","15","6","2460","2469","10.1039/D2EE00134A","","","0.71073","MoKα","","0.0677","0.0563","","","0.1304","0.1422","","","","","","1.0159","","","","has coordinates","276623","2022-07-06","08:11:57",""
"1566851","7.2488","0.0009","10.7508","0.0014","17.638","0.002","90","","90","","90","","1374.5","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N2 O P -","- C14 H17 N2 O P -","- C56 H68 N8 O4 P4 -","4","1","","Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming","Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions.","Chemical science","2022","13","22","6519","6524","10.1039/d2sc00036a","","","0.71073","MoKα","","0.0366","0.0339","","","0.0863","0.0887","","","","","","1.094","","","","has coordinates","276598","2022-07-06","07:57:38",""
"1566852","10.2116","0.0002","22.6532","0.0005","10.5288","0.0002","90","","114.869","0.0009","90","","2209.74","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H35 Cl N2 O P2 -","- C18 H35 Cl N2 O P2 -","- C72 H140 Cl4 N8 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0451","0.0356","","","0.0913","0.094","","","","","","1.035","","","","has coordinates","274670","2022-04-25","22:23:23",""
"1566853","11.3375","0.0001","16.044","0.0002","17.0248","0.0002","90","","90","","90","","3096.79","0.06","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 I N3 O P2 -","- C27 H48 I N3 O P2 -","- C108 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.051","0.0291","","","0.0545","0.0587","","","","","","0.996","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566854","11.2847","0.0002","16.6693","0.0003","16.9948","0.0003","90","","90","","90","","3196.86","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0478","0.0338","","","0.065","0.0691","","","","","","1.049","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566855","10.1507","0.0002","10.483","0.0003","12.0198","0.0004","71.0631","0.0009","77.4831","0.001","65.8533","0.0018","1098.71","0.06","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H36 N2 O2 P2 -","- C18 H36 N2 O2 P2 -","- C36 H72 N4 O4 P4 -","2","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.105","0.0761","","","0.1991","0.2201","","","","","","1.085","","","","has coordinates,has disorder","274670","2022-04-25","22:23:35",""
"1566856","9.9457","0.0002","13.5082","0.0003","22.3174","0.0006","90","","90","","90","","2998.31","0.12","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 N2 O2 P2 -","- C28 H52 N2 O2 P2 -","- C112 H208 N8 O8 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.062","0.0379","","","0.0799","0.0837","","","","","","0.954","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566857","9.5345","0.0001","11.9909","0.0001","13.3121","0.0002","104.379","0.0005","90.136","0.0005","94.2154","0.0007","1469.93","0.03","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.046","0.0414","","","0.1071","0.1105","","","","","","1.057","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566858","15.1934","0.0002","13.5842","0.0002","20.878","0.0003","90","","101.6","0.0007","90","","4221.01","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H45 N3 O P2 -","- C26 H45 N3 O P2 -","- C156 H270 N18 O6 P12 -","6","3","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.066","0.039","","","0.0803","0.0883","","","","","","0.98","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566859","10.0206","0.0002","28.85","0.0006","11.9155","0.0003","90","","110.382","0.001","90","","3229.03","0.13","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.082","0.0516","","","0.1215","0.1335","","","","","","1.021","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566860","11.3691","0.0001","16.4031","0.0002","17.294","0.0002","90","","90","","90","","3225.13","0.06","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0397","0.0317","","","0.0696","0.0732","","","","","","1.04","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566861","9.5482","0.0002","12.0125","0.0003","13.2604","0.0004","103.899","0.0009","90.8396","0.0008","94.8447","0.0015","1470.17","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0747","0.0565","","","0.1348","0.1477","","","","","","1.04","","","","has coordinates,has disorder","274670","2022-04-25","22:23:36",""
"1566862","9.3035","0.0001","15.6398","0.0003","19.0287","0.0004","90","","90","","90","","2768.77","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 N3 O P2 -","- C26 H45 N3 O P2 -","- C104 H180 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0531","0.0364","","","0.0783","0.0819","","","","","","1.005","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566863","9.5547","0.0003","11.9843","0.0004","13.3167","0.0004","103.719","0.002","90.305","0.002","94.423","0.002","1476.49","0.08","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H47 N3 O P2 -","- C27 H47 N3 O P2 -","- C54 H94 N6 O2 P4 -","2","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0608","0.0562","","","0.1585","0.1649","","","","","","1.032","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566864","14.361","0.002","11.6776","0.0018","20.98","0.004","90","","92.239","0.01","90","","3515.7","1","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H56 I N3 O P2 -","- C28.5 H56 I N3 O P2 -","- C114 H224 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.1228","0.0719","","","0.1626","0.191","","","","","","1.036","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566865","11.0895","0.0006","16.8933","0.0009","17.0952","0.0009","90","","90","","90","","3202.6","0.3","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H54 I N3 O P2 -","- C27 H54 I N3 O P2 -","- C108 H216 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0195","0.0189","","","0.0449","0.0452","","","","","","1.072","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566866","11.7716","0.0002","15.9064","0.0003","16.4323","0.0003","90","","90","","90","","3076.85","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 I N3 O P2 -","- C27 H48 I N3 O P2 -","- C108 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0628","0.0332","","","0.062","0.0672","","","","","","1.021","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566867","14.3333","0.0007","11.7334","0.0005","18.0008","0.0008","90","","97.111","0.002","90","","3004.1","0.2","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H48 I N3 O P2 -","- C23 H48 I N3 O P2 -","- C92 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0771","0.0752","","","0.2081","0.2129","","","","","","1.057","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566868","14.3801","0.0005","11.8816","0.0005","20.9273","0.0009","90","","100.971","0.002","90","","3510.3","0.2","220","2","220","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C28.5 H56 I N3 O P2 -","- C28.5 H56 I N3 O P2 -","- C114 H224 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0773","0.065","","","0.1707","0.1836","","","","","","1.079","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566869","9.9808","0.0001","28.802","0.0003","11.8786","0.0002","90","","109.431","0.0004","90","","3220.21","0.07","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0743","0.0423","","","0.0935","0.1041","","","","","","1.021","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566870","14.2761","0.0011","11.8123","0.001","18.2335","0.0017","90","","97.663","0.005","90","","3047.3","0.5","220","2","220","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H48 I N3 O P2 -","- C23 H48 I N3 O P2 -","- C92 H192 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.1228","0.0656","","","0.1712","0.2067","","","","","","1.051","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566871","9.9968","0.0001","28.7847","0.0004","11.8857","0.0002","90","","109.645","0.0006","90","","3221.1","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0691","0.0423","","","0.0889","0.0978","","","","","","1.03","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566872","9.6161","0.0006","35.768","0.002","9.7814","0.0006","90","","98.955","0.002","90","","3323.3","0.3","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H54 I N3 O P2 -","- C27 H54 I N3 O P2 -","- C108 H216 I4 N12 O4 P8 -","4","2","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0336","0.033","","","0.0908","0.0917","","","","","","1.037","","","","has coordinates,has disorder","274670","2022-04-25","22:23:37",""
"1566873","13.2434","0.0006","3.8259","0.0002","19.122","0.0009","90","","92.63","0.002","90","","967.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N O2 -","- C11 H10 F N O2 -","- C44 H40 F4 N4 O8 -","4","1","","Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang","Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter","Chemical Science","2022","","","","","10.1039/D2SC00908K","","","1.34138","GaKα","","0.0413","0.0379","","","0.1055","0.1095","","","","","","1.054","","","","has coordinates","274699","2022-04-26","22:09:22",""
"1566874","9.948","0.0006","5.7541","0.0003","23.8405","0.0014","90","","100.984","0.003","90","","1339.67","0.13","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang","Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter","Chemical Science","2022","","","","","10.1039/D2SC00908K","","","1.34138","GaKα","","0.0407","0.0341","","","0.0786","0.0828","","","","","","1.039","","","","has coordinates","274699","2022-04-26","22:09:23",""
"1566875","10.5395","0.001","10.6712","0.001","13.2594","0.0012","76.844","0.004","85.075","0.004","72.914","0.004","1387.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C64 H52 F4 N8 O8 -","4","2","","Xing, Yi; Li, Zhongyu; Baryshnikov, Glib; Shen, Shen; Ye, Danfeng; Ågren, Hans; Zhu, Liangliang","Water Molecular Bridge-Induced Selective Dual Polarization in Crystals for Stable Multi-Emitter","Chemical Science","2022","","","","","10.1039/D2SC00908K","","","1.34138","GaKα","","0.0719","0.0501","","","0.1412","0.1536","","","","","","1.062","","","","has coordinates","274699","2022-04-26","22:09:23",""
"1566876","20.7704","0.0004","20.7704","0.0004","21.5736","0.0004","90","","90","","120","","8060.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 I O3 S -","- C15 H15 I O3 S -","- C270 H270 I18 O54 S18 -","18","1","","Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu.","Zwitterionic iodonium species afford halogen bond-based porous organic frameworks","Chemical Science","2022","","","","","10.1039/D2SC00892K","","x-ray","1.54184","CuKα","","0.0283","0.0273","","","0.071","0.0718","","","","","","1.058","","","","has coordinates","274722","2022-04-27","22:13:48",""
"1566877","7.0964","0.0001","23.1449","0.0004","8.145","0.0001","90","","97.033","0.002","90","","1327.71","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I O3 S -","- C14 H13 I O3 S -","- C56 H52 I4 O12 S4 -","4","1","","Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu.","Zwitterionic iodonium species afford halogen bond-based porous organic frameworks","Chemical Science","2022","","","","","10.1039/D2SC00892K","","x-ray","1.54184","CuKα","","0.0511","0.0498","","","0.1343","0.1364","","","","","","1.033","","","","has coordinates","274722","2022-04-27","22:13:49",""
"1566878","6.0981","0.0001","8.1137","0.0001","25.8853","0.0003","94.961","0.001","93.997","0.001","91.858","0.001","1271.9","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl I O3 S -","- C12 H8 Cl I O3 S -","- C48 H32 Cl4 I4 O12 S4 -","4","2","","Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu.","Zwitterionic iodonium species afford halogen bond-based porous organic frameworks","Chemical Science","2022","","","","","10.1039/D2SC00892K","","x-ray","1.54184","CuKα","","0.0462","0.0442","","","0.1211","0.1228","","","","","","1.083","","","","has coordinates","274722","2022-04-27","22:13:49",""
"1566879","10.1666","0.0002","14.3384","0.0003","20.5652","0.0003","84.479","0.001","82.633","0.002","74.902","0.002","2864.29","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 I O3 S -","- C15 H15 I O3 S -","- C90 H90 I6 O18 S6 -","6","3","","Soldatova, Natalia S.; Postnikov, Pavel S.; Ivanov, Daniil M.; Semyonov, Oleg V.; Kukurina, Olga S.; Guselnikova, Olga; Yamauchi, Yusuke; Wirth, Thomas; Zhdankin, Viktor V.; Yusubov, Mekhman S.; Gomila, Rosa M.; Frontera, Antonio; Resnati, Giuseppe; Kukushkin, Vadim Yu.","Zwitterionic iodonium species afford halogen bond-based porous organic frameworks","Chemical Science","2022","","","","","10.1039/D2SC00892K","","x-ray","0.71073","MoKα","","0.0362","0.0308","","","0.0706","0.0733","","","","","","1.017","","","","has coordinates,has disorder","274722","2022-04-27","22:13:50",""
"1566880","6.9528","0.0001","13.3069","0.0001","37.0562","0.0004","90","","91.951","0.001","90","","3426.46","0.07","169.97","0.11","169.97","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H32 O4 -","- C50 H32 O4 -","- C200 H128 O16 -","4","2","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.036","0.0341","","","0.0883","0.0894","","","","","","1.038","","","","has coordinates","274723","2022-04-27","22:15:17",""
"1566881","7.2123","0.0002","17.9092","0.0004","27.4926","0.0005","90","","90","","90","","3551.12","0.14","169.99","0.16","169.99","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H36 O5 -","- C52 H36 O5 -","- C208 H144 O20 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.049","0.044","","","0.1189","0.1236","","","","","","1.045","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566882","25.8331","0.0011","10.6809","0.0005","13.7334","0.0005","90","","90","","90","","3789.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 O4 -","- C54 H38 O4 -","- C216 H152 O16 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","","0.71073","MoKα","","0.0744","0.0615","","","0.1443","0.1525","","","","","","1.106","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566883","10.2762","0.0004","13.1669","0.0005","26.875","0.0009","90","","90","","90","","3636.3","0.2","170","0.1","170","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H30 O4 -","- C54 H30 O4 -","- C216 H120 O16 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","0.71073","MoKα","","0.089","0.0517","","","0.1134","0.1252","","","","","","1.04","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566884","10.9647","0.0001","18.7819","0.0001","14.2842","0.0001","90","","98.404","0.001","90","","2910.07","0.04","169.99","0.12","169.99","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H34 O3 -","- C39 H34 O3 -","- C156 H136 O12 -","4","2","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.0392","0.0378","","","0.1019","0.1033","","","","","","1.052","","","","has coordinates,has disorder","274723","2022-04-27","22:15:18",""
"1566885","9.1813","0.0008","32.2736","0.0014","40.651","0.003","90","","96.354","0.008","90","","11971.5","1.5","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C H N O S -","- C2.49351 N0.311688 O0.0909091 S0.0519481 -","- C384 N48 O14 S8 -","154","38.5","","Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng","Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability","Chemical Science","2022","","","","","10.1039/D2SC00082B","","","0.71073","MoKα","","0.4547","0.2743","","","0.5503","0.5918","","","","","","2.242","","","","has coordinates","274724","2022-04-27","22:18:40",""
"1566886","13.8636","0.0003","15.9137","0.0003","20.4987","0.0004","83.865","0.002","73.294","0.002","85.019","0.002","4299.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H61 N12 S2 -","- C98 H61 N12 S2 -","- C196 H122 N24 S4 -","2","1","","Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng","Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability","Chemical Science","2022","","","","","10.1039/D2SC00082B","","","0.71073","MoKα","","0.1655","0.1209","","","0.349","0.3759","","","","","","1.358","","","","has coordinates","274724","2022-04-27","22:18:51",""
"1566887","8.4867","0.0018","12.972","0.003","18.128","0.004","105.478","0.007","90.206","0.007","96.312","0.008","1910.5","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H18 N -","- C29 H18 N -","- C116 H72 N4 -","4","2","","Meng, Guoyun; Zhang, Dongdong; Wei, Jinbei; Zhang, Yuewei; Huang, Tianyu; Liu, Ziyang; Yin, Chen; Hong, Xiangchen; Wang, Xiang; Zeng, Xuan; Yang, Dezhi; Ma, Dongge; Li, Guomeng; Duan, Lian","Highly efficient and stable deep-blue OLEDs based on narrowband emitters featuring an orthogonal spiro-configured indolo[3,2,1-de]acridine structure","Chemical Science","2022","","","","","10.1039/D2SC01543A","","","0.71073","MoKα","","0.1028","0.0555","","","0.1304","0.153","","","","","","1.003","","","","has coordinates","274803","2022-05-02","22:22:28",""
"1566888","8.2938","0.0005","10.0055","0.0007","17.6368","0.0011","74.549","0.002","88.4","0.002","68.207","0.002","1305.72","0.15","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","(5s,10s)-5-(3-Chloropropyl)-3,7-bis(dimethylamino)-5-methyl-3'H,5H-spiro[dibenzo[b,e]siline-10,1'-isobenzofuran]-3'-one","","- C28 H31 Cl N2 O2 Si -","- C28 H31 Cl N2 O2 Si -","- C56 H62 Cl2 N4 O4 Si2 -","2","1","","Miller, Stephen; Rao, Desaboini Nageswara; Ji, Xincai","Silicon functionalization expands the repertoire of Si-rhodamine fluorescent probes","Chemical Science","2022","","","","","10.1039/D2SC01821G","","","0.71073","MoKα","","0.0487","0.0404","","","0.1086","0.117","","","","","","1.063","","","","has coordinates","274804","2022-05-02","22:23:08",""
"1566889","8.6731","0.0001","13.6845","0.0002","22.6164","0.0003","90","","95.026","0.001","90","","2673.95","0.06","100","2","100","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Al N2 -","- C31 H39 Al N2 -","- C124 H156 Al4 N8 -","4","1","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","","1.54184","CuKα","","0.0407","0.0366","","","0.0979","0.1011","","","","","","1.049","","","","has coordinates,has disorder","274805","2022-05-02","22:24:41",""
"1566890","16.9198","0.0002","22.2833","0.0002","17.4576","0.0003","90","","117.934","0.002","90","","5815.14","0.17","99.9","0.7","99.9","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H80 Al2 N4 -","- C68 H80 Al2 N4 -","- C272 H320 Al8 N16 -","4","0.5","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","x-ray","1.54184","CuKα","","0.0434","0.0384","","","0.0984","0.1017","","","","","","1.024","","","","has coordinates","274805","2022-05-02","22:24:42",""
"1566891","15.879","0.01","16.076","0.018","16.533","0.011","92.956","0.013","109.505","0.018","102.27","0.02","3853","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C159 H188 Al4 I8 N8 -","- C159 H188 Al4 I8 N8 -","- C159 H188 Al4 I8 N8 -","1","0.5","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","","0.71073","MoKα","","0.0806","0.0552","","","0.1173","0.1432","","","","","","1.174","","","","has coordinates,has disorder","274805","2022-05-02","22:24:42",""
"1566892","15.4528","0.0001","15.2329","0.0001","28.0296","0.0003","90","","96.742","0.001","90","","6552.29","0.09","100","2","99.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H91 Al2 N4 -","- C78 H91 Al2 N4 -","- C312 H364 Al8 N16 -","4","1","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","","1.54184","CuKα","","0.0526","0.0462","","","0.1164","0.1207","","","","","","1.033","","","","has coordinates,has disorder","274805","2022-05-02","22:24:42",""
"1566893","13.438","0.002","15.123","0.003","15.478","0.002","75.326","0.006","80.106","0.011","84.764","0.007","2993.9","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C71 H83 Al2 N4 -","- C71 H83 Al2 N4 -","- C142 H166 Al4 N8 -","2","1","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","","0.71073","MoKα","","0.0423","0.0399","","","0.112","0.1143","","","","","","1.03","","","","has coordinates","274805","2022-05-02","22:24:42",""
"1566894","11.884","0.0001","15.4141","0.0001","18.4138","0.0001","112.49","0.001","90.87","0.001","105.49","0.001","2977.13","0.05","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H88 Al2 N4 -","- C68 H88 Al2 N4 -","- C136 H176 Al4 N8 -","2","1","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","","1.54184","CuKα","","0.048","0.0423","","","0.1159","0.1198","","","","","","1.079","","","","has coordinates","274805","2022-05-02","22:24:43",""
"1566895","10.5045","0.0014","16.82","0.002","11.0991","0.0015","90","","112.514","0.002","90","","1811.6","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H34 F3 O12 P S -","- C33 H34 F3 O12 P S -","- C66 H68 F6 O24 P2 S2 -","2","1","","Liu, Fen; Huang, Haiyang; Sun, Longgen; Yan, Zeen; Tan, Xiao; Li, Jing; Luo, Xinyue; Ding, Haixin; Xiao, Qiang","P(v) intermediate-mediated E1cB elimination for the synthesis of glycals","Chemical Science","2022","","","","","10.1039/D2SC01423H","","","0.71073","MoKα","","0.0847","0.056","","","0.1357","0.1534","","","","","","1.027","","","","has coordinates","274806","2022-05-02","22:25:35",""
"1566896","15.582","0.003","33.295","0.006","18.241","0.003","90","","90.452","0.003","90","","9463","3","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 B N3 -","- C51 H54 B N3 -","- C408 H432 B8 N24 -","8","1","","Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao","Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions","Chemical Science","2022","","","","","10.1039/D2SC01722A","","","0.71073","MoKα","","0.2659","0.1394","","","0.3623","0.4086","","","","","","1.066","","","","has coordinates,has disorder","274807","2022-05-02","22:26:35",""
"1566897","21.747","0.002","19.582","0.002","23.834","0.002","90","","90.748","0.007","90","","10148.8","1.6","180.15","","180.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C59.42 H70.28 B N3 -","- C59.4252 H70.2756 B N3 -","- C475.402 H562.205 B8 N24 -","8","1","","Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao","Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions","Chemical Science","2022","","","","","10.1039/D2SC01722A","","","0.71073","MoKα","","0.1731","0.0957","","","0.2667","0.3228","","","","","","1.017","","","","has coordinates,has disorder","274807","2022-05-02","22:26:36",""
"1566898","11.0795","0.0012","14.238","0.0016","15.3074","0.0017","83.621","0.002","78.486","0.002","77.897","0.002","2307.5","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H62 B N3 -","- C56 H62 B N3 -","- C112 H124 B2 N6 -","2","1","","Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao","Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions","Chemical Science","2022","","","","","10.1039/D2SC01722A","","","0.71073","MoKα","","0.1719","0.1046","","","0.2972","0.3532","","","","","","1.117","","","","has coordinates","274807","2022-05-02","22:26:36",""
"1566899","11.6118","0.0011","9.7486","0.0008","17.4474","0.0016","90","","102.403","0.009","90","","1928.9","0.3","290","0.14","290","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F3 O3 -","- C22 H17 F3 O3 -","- C88 H68 F12 O12 -","4","1","","Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli","Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center","Chemical Science","2022","","","","","10.1039/D2SC00902A","","x-ray","1.3405","GaKα","","0.073","0.0554","","","0.153","0.1733","","","","","","1.129","","","","has coordinates","274809","2022-05-02","22:27:49",""
"1566900","8.9925","0.0011","15.5533","0.0014","16.006","0.002","90","","105.451","0.014","90","","2157.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Cl F3 O4 -","- C23 H18 Cl F3 O4 -","- C92 H72 Cl4 F12 O16 -","4","1","","Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli","Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center","Chemical Science","2022","","","","","10.1039/D2SC00902A","","x-ray","1.3405","GaKα","","0.0968","0.072","","","0.2027","0.2622","","","","","","1.141","","","","has coordinates","274809","2022-05-02","22:27:50",""
"1566901","12.5234","0.0006","9.7432","0.0005","17.5168","0.0009","90","","97.018","0.005","90","","2121.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl F3 O3 -","- C23 H18 Cl F3 O3 -","- C92 H72 Cl4 F12 O12 -","4","1","","Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli","Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center","Chemical Science","2022","","","","","10.1039/D2SC00902A","","x-ray","1.3405","GaKα","","0.0786","0.0626","","","0.1826","0.1974","","","","","","1.123","","","","has coordinates","274809","2022-05-02","22:27:50",""
"1566902","15.1282","0.0019","11.8989","0.001","11.623","0.0015","90","","111.112","0.015","90","","1951.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F3 O3 -","- C22 H19 F3 O3 -","- C88 H76 F12 O12 -","4","1","","Zhang, Qi; Chiou, Mong-Feng; Ye, Changqing; Yuan, Xiaobin; Li, Yajun; Bao, Hongli","Radical 1,2,3-Tricarbofunctionalization of α-Vinyl-β-Ketoesters Enabled by Carbon Shift from All-carbon Quaternary Center","Chemical Science","2022","","","","","10.1039/D2SC00902A","","x-ray","1.3405","GaKα","","0.0966","0.0647","","","0.1926","0.2132","","","","","","1.055","","","","has coordinates","274809","2022-05-02","22:27:50",""
"1566903","16.99261","0.00018","6.02635","0.00007","17.4076","0.0002","90","","107.831","0.0012","90","","1696.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl)sulfanyl]thiophene","","- C32 H29 Br N2 O10 S3 -","- C32 H29 Br N2 O10 S3 -","- C64 H58 Br2 N4 O20 S6 -","2","1","MW2186","Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G.","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene","IUCrData","2022","7","4","x220412","","10.1107/S2414314622004126","","x-ray","1.54184","CuKα","","0.0234","0.0232","","","0.0616","0.0618","","","","","","1.039","","","","has coordinates,has Fobs","274834","2022-05-03","02:39:25",""
"1566904","19.1257","0.001","9.3864","0.0005","10.0502","0.0006","90","","103.546","0.006","90","","1754.04","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","","- C16 H20 Cl2 N2 O4 -","- C16 H20 Cl2 N2 O4 -","- C64 H80 Cl8 N8 O16 -","4","1","BH4068","Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","IUCrData","2022","7","4","x220441","","10.1107/S2414314622004412","","","1.54184","CuKα","","0.0869","0.0505","","","0.1146","0.1344","","","","","","1.013","","","","has coordinates,has Fobs","274835","2022-05-03","02:39:53",""
"1566905","20.5713","0.001","15.332","0.0004","21.6572","0.0008","90","","96.891","0.004","90","","6781.3","0.5","100.01","0.12","100.01","0.12","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C64 H50 N30 O15 Zn6 -","- C64 H50 N30 O15 Zn6 -","- C128 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1781","0.1114","","","0.2984","0.3512","","","","","","0.965","","","","has coordinates,has disorder","274889","2022-05-04","21:41:17",""
"1566906","20.7927","0.0005","15.218","0.0002","21.7299","0.0005","90","","93.52","0.002","90","","6862.9","0.2","100","0.14","100","0.14","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1408","0.1002","","","0.274","0.3142","","","","","","0.974","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566907","20.6916","0.0003","15.2813","0.0002","21.6745","0.0003","90","","92.481","0.001","90","","6846.93","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C67 H50 N30 O15 Zn6 -","- C67 H50 N30 O15 Zn6 -","- C134 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1091","0.0929","","","0.2496","0.2652","","","","","","1.057","","","","has coordinates,has disorder","274889","2022-05-04","21:41:18",""
"1566908","20.5389","0.0019","15.2128","0.0005","21.6422","0.0009","90","","94.526","0.006","90","","6741.1","0.7","100","0.18","100","0.18","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","x-ray","1.54184","CuKα","","0.1574","0.1162","","","0.2985","0.3476","","","","","","1.058","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566909","20.7798","0.0004","15.2345","0.0002","21.6564","0.0004","90","","93.144","0.002","90","","6845.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 N30 O15 Zn6 -","- C66 H50 N30 O15 Zn6 -","- C132 H100 N60 O30 Zn12 -","2","0.5","","Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan","Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework","Chemical Science","2022","13","17","4813","4820","10.1039/D2SC00188H","","","1.54184","CuKα","","0.1126","0.0893","","","0.2611","0.2925","","","","","","1.019","","","","has coordinates,has disorder","274889","2022-05-04","21:41:19",""
"1566910","9.0514","0.0004","10.5907","0.0005","12.8357","0.0006","76.116","0.004","84.418","0.004","78.076","0.004","1167.24","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 As Co O2 -","- C30 H20 As Co O2 -","- C60 H40 As2 Co2 O4 -","2","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.035","0.0336","","","0.0875","0.0887","","","","","","1.037","","","","has coordinates","274897","2022-05-04","22:17:53",""
"1566911","11.2347","0.0001","17.2771","0.0001","7.8356","0.0001","90","","90","","90","","1520.91","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 As Co O2 -","- C18 H12 As Co O2 -","- C72 H48 As4 Co4 O8 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","","1.54184","CuKα","","0.0401","0.0386","","","0.0925","0.0936","","","","","","1.075","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566912","14.1928","0.0003","14.4745","0.0003","14.7169","0.0003","90","","99.34","0.002","90","","2983.27","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 As Cl2 Co Hg O2 -","- C10 H12 As Cl2 Co Hg O2 -","- C80 H96 As8 Cl16 Co8 Hg8 O16 -","8","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0673","0.066","","","0.1763","0.1782","","","","","","1.109","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566913","9.1891","0.0001","12.7559","0.0001","21.0227","0.0002","90","","90","","90","","2464.18","0.04","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H12 As Co F10 O3 Pt -","- C23 H12 As Co F10 O3 Pt -","- C92 H48 As4 Co4 F40 O12 Pt4 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0297","0.0292","","","0.071","0.0714","","","","","","1.056","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566914","8.8304","0.0001","14.2969","0.0002","11.846","0.0002","90","","94.222","0.001","90","","1491.47","0.04","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 As Cl2 Co Hg O2 -","- C10 H12 As Cl2 Co Hg O2 -","- C40 H48 As4 Cl8 Co4 Hg4 O8 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0428","0.0415","","","0.1006","0.1021","","","","","","1.074","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566915","7.9385","0.0001","19.9045","0.0002","15.3637","0.0001","90","","90.3","0.001","90","","2427.61","0.04","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H33 As Co O4 P Si2 -","- C16 H33 As Co O4 P Si2 -","- C64 H132 As4 Co4 O16 P4 Si8 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0223","0.0219","","","0.0561","0.0564","","","","","","1.03","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566916","15.1208","0.0001","21.7675","0.0002","23.8537","0.0002","100.283","0.001","104.78","0.001","91.078","0.001","7452.43","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 As2 Au2 Co2 F10 O4 -","- C32 H24 As2 Au2 Co2 F10 O4 -","- C256 H192 As16 Au16 Co16 F80 O32 -","8","4","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0322","0.0265","","","0.0607","0.0631","","","","","","1.041","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566917","8.198","0.0001","14.8986","0.0002","26.2475","0.0003","90","","97.071","0.001","90","","3181.45","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 As Co O4 P -","- C12 H21 As Co O4 P -","- C96 H168 As8 Co8 O32 P8 -","8","2","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0383","0.036","","","0.0865","0.0875","","","","","","1.065","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566918","9.608","0.0003","13.2461","0.0005","20.0321","0.0006","90","","90","","90","","2549.46","0.15","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N2 O7 -","- C22 H38 N2 O7 -","- C88 H152 N8 O28 -","4","1","","Chen, Wei-An; Chen, Yu-Hsin; Hsieh, Chiao-Yun; Hung, Pi-Fang; Chen, Chiao-Wen; Chen, Chien-Hung; Lin, Jung-Lee; Cheng, Ting-Jen R.; Hsu, Tsui-Ling; Wu, Ying-Ta; Shen, Chia-Ning; Cheng, Wei-Chieh","Harnessing natural-product-inspired combinatorial chemistry and computation-guided synthesis to develop N-glycan modulators as anticancer agents","Chemical Science","2022","","","","","10.1039/D1SC05894K","","","0.71073","MoKα","","0.0391","0.0345","","","0.0797","0.0824","","","","","","1.024","","","","has coordinates","274898","2022-05-04","22:18:59",""
"1566920","10.891","0.0007","11.4276","0.0008","11.5284","0.0009","116.793","0.007","90.271","0.006","101.247","0.006","1249.11","0.18","300","","300","","","","","","","","","3","P -1","-P 1","2","","(Z)-1,2-bis(3,4-dimethoxyphenyl)-1,2-diphenylethene","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi","Underwater luminescent labeling materials constructed from a supramolecular approach.","Materials horizons","2022","9","7","1984","1991","10.1039/d2mh00211f","","x-ray","1.54184","CuKα","","0.0718","0.0526","","","0.1301","0.1487","","","","","","1.009","","","","has coordinates","276678","2022-07-06","08:39:42",""
"1566921","7.8756","0.0005","11.8787","0.0007","13.8525","0.0008","84.512","0.002","84.625","0.002","71.646","0.002","1221.59","0.13","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi","Underwater luminescent labeling materials constructed from a supramolecular approach.","Materials horizons","2022","9","7","1984","1991","10.1039/d2mh00211f","","","1.54178","CuKα","","0.0504","0.0481","","","0.1239","0.1259","","","","","","1.032","","","","has coordinates","276678","2022-07-06","08:39:54",""
"1566922","14.9569","0.0004","17.9039","0.0005","22.5745","0.0006","69.1","0.002","74.702","0.002","88.173","0.002","5434.3","0.3","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C108 H99 Cl9 O12 -","- C108 H99 Cl9 O12 -","- C216 H198 Cl18 O24 -","2","1","","Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe","Cagearenes: synthesis, characterization, and application for programmed vapor release","Chemical Science","2022","","","","","10.1039/D2SC01782B","","","1.34139","GaKα","","0.1389","0.1124","","","0.2558","0.2719","","","","","","0.947","","","","has coordinates","275082","2022-05-05","22:10:20",""
"1566923","25.7782","0.0007","18.2534","0.0004","27.4389","0.001","90","","117.813","0.002","90","","11419.5","0.6","193","2","192.99","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C123 H114 O12 -","- C123 H114 O12 -","- C492 H456 O48 -","4","0.5","","Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe","Cagearenes: synthesis, characterization, and application for programmed vapor release","Chemical Science","2022","","","","","10.1039/D2SC01782B","","","1.34139","GaKα","","0.2533","0.112","","","0.3053","0.3993","","","","","","0.984","","","","has coordinates","275082","2022-05-05","22:10:21",""
"1566924","14.166","0.0006","18.6824","0.001","23.8099","0.0013","82.321","0.002","87.364","0.002","74.141","0.002","6006.9","0.5","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C145 H148 O12 -","- C145 H148 O12 -","- C290 H296 O24 -","2","1","","Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe","Cagearenes: synthesis, characterization, and application for programmed vapor release","Chemical Science","2022","","","","","10.1039/D2SC01782B","","","0.71073","MoKα","","0.0989","0.0752","","","0.2151","0.2404","","","","","","1.023","","","","has coordinates,has disorder","275082","2022-05-05","22:10:21",""
"1566925","13.898","0.004","19.031","0.006","24.191","0.008","112.073","0.013","103.948","0.014","93.107","0.01","5680","3","170","2","170","","","","","","","","","3","P -1","-P 1","2","","","","- C114 H108 O12 -","- C114 H108 O12 -","- C228 H216 O24 -","2","1","","Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe","Cagearenes: synthesis, characterization, and application for programmed vapor release","Chemical Science","2022","","","","","10.1039/D2SC01782B","","","0.71073","MoKα","","0.0799","0.055","","","0.143","0.162","","","","","","0.979","","","","has coordinates,has disorder","275082","2022-05-05","22:10:21",""
"1566926","11.2936","0.0006","21.8827","0.001","17.1083","0.0007","90","","94.544","0.002","90","","4214.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Li2 O10 S2 -","- C40 H58 Li2 O10 S2 -","- C160 H232 Li8 O40 S8 -","4","1","","Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M.","Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures","Chemical Science","2022","","","","","10.1039/D2SC01776H","","","0.71073","MoKα","","0.0561","0.0472","","","0.0929","0.0967","","","","","","1.116","","","","has coordinates,has disorder","275083","2022-05-05","22:11:20",""
"1566927","5.9833","0.0006","9.3642","0.001","11.7461","0.0012","90.127","0.004","101.89","0.004","97.726","0.004","637.85","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Na O3 S -","- C12 H13 Na O3 S -","- C24 H26 Na2 O6 S2 -","2","1","","Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M.","Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures","Chemical Science","2022","","","","","10.1039/D2SC01776H","","","0.71073","MoKα","","0.0598","0.0533","","","0.1478","0.1521","","","","","","1.054","","","","has coordinates","275083","2022-05-05","22:11:20",""
"1566928","15.1783","0.0013","6.6961","0.0006","30.176","0.003","90","","104.412","0.003","90","","2970.4","0.5","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C96 H104 K8 O24 S8 -","- C96 H104 K8 O24 S8 -","- C96 H104 K8 O24 S8 -","1","0.25","","Plajer, Alex Johannes; Pröhm, Patrick; Rupf, Susanne M.","Lithium achieves sequence selective ring-opening terpolymerisation (ROTERP) of ternary monomer mixtures","Chemical Science","2022","","","","","10.1039/D2SC01776H","","","0.71073","MoKα","","0.0832","0.0821","","","0.2414","0.2426","","","","","","1.147","","","","has coordinates","275083","2022-05-05","22:11:20",""
"1566929","6.6931","0.0002","8.4975","0.0002","9.8328","0.0002","90","","102.711","0.0009","90","","545.53","0.02","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H8 Cr N4 Ni O5 -","- C8 H8 Cr N4 Ni O5 -","- C16 H16 Cr2 N8 Ni2 O10 -","2","1","","Tang, Hsu-Yen; Lee, Gene-Hsiang; Ng, Kwai-Kong; Yang, Chen-I","A Three-Dimensional Coordination Framework with a Ferromagnetic Coupled Ni(II)-CrO4 Layer: Synthesis, Structure, and Magnetic Studies","Polymers","2022","14","9","1735","","10.3390/polym14091735","","","0.71073","MoKα","","0.0274","0.0255","","","0.0598","0.0611","","","","","","1.03","","","","has coordinates,has disorder","275147","2022-05-06","21:51:17",""
"1566930","9.6464","0.0002","23.7748","0.0006","10.1622","0.0003","90","","112.225","0.003","90","","2157.46","0.11","296","9","296","9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H54 N2 O4 -","- C54 H54 N2 O4 -","- C108 H108 N4 O8 -","2","1","","Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min","Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction","Chemical Science","2022","","","","","10.1039/D2SC01887J","","x-ray","1.54184","CuKα","","0.1021","0.0888","","","0.2268","0.2496","","","","","","1.007","","","","has coordinates","275149","2022-05-06","22:08:11",""
"1566931","13.2005","0.0006","19.9331","0.0009","9.2145","0.0003","90","","94.679","0.004","90","","2416.5","0.17","293.16","0.1","293.16","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N O2 -","- C30 H29 N O2 -","- C120 H116 N4 O8 -","4","1","","Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min","Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction","Chemical Science","2022","","","","","10.1039/D2SC01887J","","x-ray","1.54184","CuKα","","0.0906","0.0779","","","0.1936","0.2125","","","","","","1.049","","","","has coordinates","275149","2022-05-06","22:08:12",""
"1566932","18.0783","0.0008","19.0664","0.0008","27.2154","0.0011","90","","90","","90","","9380.8","0.7","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(COD)2]BArF24","[Cu(COD)2]BArF24","","- C48 H36 B Cu F24 -","- C48 H36 B Cu F24.009 -","- C384 H288 B8 Cu8 F192.072 -","8","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.1053","0.0682","","","0.181","0.2119","","","","","","1.034","","","","has coordinates,has disorder","276601","2022-07-06","07:58:49",""
"1566933","14.9684","0.0006","25.1887","0.0009","19.9836","0.0007","90","","95.937","0.001","90","","7494.1","0.5","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[H3L(Cu)]BArF24","","","- C71 H75 B Cu F24 N4 P3 -","- C71 H75 B Cu F24 N4 P3 -","- C284 H300 B4 Cu4 F96 N16 P12 -","4","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.064","0.0434","","","0.1078","0.123","","","","","","1.035","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566934","11.2148","0.0007","14.0921","0.001","14.3396","0.0009","70.906","0.002","82.68","0.002","80.584","0.002","2106","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","LAlCu","","","- C41 H65 Al Cu N4 O0.5 P3 -","- C41 H65 Al Cu N4 O0.5 P3 -","- C82 H130 Al2 Cu2 N8 O P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.046","0.0332","","","0.0842","0.0898","","","","","","1.025","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566935","11.344","0.004","14.194","0.004","14.285","0.005","70.274","0.017","79.551","0.017","82.067","0.014","2121.9","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","LGaCu","","","- C42.5 H64 Cu Ga N4 P3 -","- C42.5 H64 Cu Ga N4 P3 -","- C85 H128 Cu2 Ga2 N8 P6 -","2","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0365","0.0286","","","0.0728","0.0773","","","","","","1.048","","","","has coordinates,has disorder","276601","2022-07-06","07:58:50",""
"1566936","14.9147","0.0015","14.9147","0.0015","26.629","0.003","90","","90","","120","","5130","0.9","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LGaCu]2B12Cl12","","","- C78 H120 B12 Cl12 Cu2 Ga2 N8 P6 -","- C52 H80 B8 Cl8 Cu1.33333 Ga1.33333 N5.33333 P4 -","- C156 H240 B24 Cl24 Cu4 Ga4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0545","0.0434","","","0.1277","0.1368","","","","","","1.013","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566937","14.9086","0.0007","14.9086","0.0007","26.6016","0.0014","90","","90","","120","","5120.5","0.4","100","2","100","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","[LAlCu]2B12Cl12","","","- C78 H120 Al2 B12 Cl12 Cu2 N8 P6 -","- C52 H80 Al1.33333 B8 Cl8 Cu1.33333 N5.33333 P4 -","- C156 H240 Al4 B24 Cl24 Cu4 N16 P12 -","3","0.25","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.0543","0.0412","","","0.1101","0.117","","","","","","1.091","","","","has coordinates","276601","2022-07-06","07:58:50",""
"1566938","19.4715","0.0009","18.0905","0.001","19.5394","0.001","90","","109.702","0.002","90","","6479.8","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Tm -","- C34 H58 Tm -","- C272 H464 Tm8 -","8","2","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0821","0.0406","","","0.0722","0.0833","","","","","","1.006","","","","has coordinates,has disorder","275283","2022-05-09","22:13:18",""
"1566939","18.1868","0.0006","11.4972","0.0004","31.4355","0.0014","90","","93.696","0.002","90","","6559.4","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H116 O2 Tm2 -","- C70 H116 O2 Tm2 -","- C280 H464 O8 Tm8 -","4","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0784","0.0609","","","0.1371","0.1432","","","","","","1.14","","","","has coordinates","275283","2022-05-09","22:13:19",""
"1566940","21.251","0.0008","10.8765","0.0004","28.794","0.001","90","","90","","90","","6655.3","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C71 H116 O3 Tm2 -","- C71 H116 O3 Tm2 -","- C284 H464 O12 Tm8 -","4","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0465","0.0356","","","0.0608","0.0645","","","","","","1.014","","","","has coordinates","275283","2022-05-09","22:13:20",""
"1566941","18.6229","0.0011","10.3489","0.0005","19.6817","0.0012","90","","111.234","0.003","90","","3535.7","0.4","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C74 H128 O3 Tm2 -","- C74 H128 O3 Tm2 -","- C148 H256 O6 Tm4 -","2","0.5","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0434","0.0259","","","0.0502","0.0559","","","","","","1.03","","","","has coordinates,has disorder","275283","2022-05-09","22:13:20",""
"1566942","10.596","0.0013","17.174","0.002","21.404","0.003","98.599","0.004","99.006","0.004","106.877","0.004","3602.1","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C74.25 H121.4 O5 Tm2 -","- C72 H116 O5 Tm2 -","- C144 H232 O10 Tm4 -","2","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0835","0.0609","","","0.1533","0.168","","","","","","1.043","","","","has coordinates","275283","2022-05-09","22:13:20",""
"1566943","29.457","0.002","16.1306","0.0012","46.333","0.004","90","","105.969","0.005","90","","21166","3","150.15","","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C109 H177 O6 Tm3 -","- C109 H177 O6 Tm3 -","- C872 H1416 O48 Tm24 -","8","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.071","0.0366","","","0.0674","0.0784","","","","","","1.006","","","","has coordinates","275283","2022-05-09","22:13:20",""
"1566944","13.4591","0.0011","17.361","0.0014","20.0159","0.0014","65.739","0.002","85.671","0.003","77.074","0.003","4155.2","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H170 O4 Si2 Tm2 -","- C78 H134 O4 Si2 Tm2 -","- C156 H268 O8 Si4 Tm4 -","2","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0375","0.0249","","","0.0591","0.0654","","","","","","1.044","","","","has coordinates","275283","2022-05-09","22:13:21",""
"1566945","14.9953","0.0007","17.8272","0.0009","28.3472","0.0016","75.491","0.002","82.62","0.002","70.215","0.002","6895.2","0.6","150.02","","150.02","","","","","","","","","4","P -1","-P 1","2","","","","- C159 H272 O12 Tm4 -","- C129 H200 O12 Tm4 -","- C258 H400 O24 Tm8 -","2","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0531","0.035","","","0.0801","0.0879","","","","","","1.014","","","","has coordinates","275283","2022-05-09","22:13:21",""
"1566946","17.9662","0.0018","18.3952","0.0017","19.483","0.0018","83.851","0.003","83.324","0.003","75.907","0.003","6182","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C127 H196 O12 Tm4 -","- C127 H196 O12 Tm4 -","- C254 H392 O24 Tm8 -","2","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.0871","0.0421","","","0.076","0.0932","","","","","","1.036","","","","has coordinates","275283","2022-05-09","22:13:21",""
"1566947","8.9555","0.0007","9.4191","0.0007","15.4553","0.0012","75.154","0.007","77.176","0.007","67.936","0.007","1156.33","0.17","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Er N9 O12.5 -","- C15 H14 Er N9 O12.5 -","- C30 H28 Er2 N18 O25 -","2","1","","Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio","Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF","Chemical Science","2022","","","","","10.1039/D2SC00769J","","x-ray","0.71073","MoKα","","0.0414","0.0354","","","0.068","0.0735","","","","","","1.046","","","","has coordinates,has disorder","275306","2022-05-10","22:08:13",""
"1566948","9.0051","0.0013","9.3427","0.0017","12.533","0.002","93.979","0.015","97.759","0.014","115.991","0.016","929.3","0.3","359.95","0.1","359.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 Er N9 O7.5 -","- C15 H8 Er N9 O7.5 -","- C30 H16 Er2 N18 O15 -","2","1","","Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio","Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF","Chemical Science","2022","","","","","10.1039/D2SC00769J","","","0.71073","MoKα","","0.1678","0.1222","","","0.2923","0.3318","","","","","","1.111","","","","has coordinates","275306","2022-05-10","22:08:14",""
"1566949","8.6201","0.0003","10.422","0.0004","11.9887","0.0004","80.139","0.003","79.145","0.003","82.373","0.003","1036.52","0.07","125","7","125","7","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Er N9 O10 -","- C15 H14 Er N9 O10 -","- C30 H28 Er2 N18 O20 -","2","1","","Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio","Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF","Chemical Science","2022","","","","","10.1039/D2SC00769J","","x-ray","0.71073","MoKα","","0.0162","0.0155","","","0.037","0.0373","","","","","","1.055","","","","has coordinates","275306","2022-05-10","22:08:15",""
"1566950","9.013","0.003","9.2","0.003","12.495","0.003","94.9","0.02","98.1","0.02","115.67","0.03","912","0.5","119.95","0.1","119.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Er N9 O8 -","- C15 H10 Er N9 O8 -","- C30 H20 Er2 N18 O16 -","2","1","","Monni, Noemi N.; Baldoví, José J.; García-López, Víctor; Oggianu, Mariangela M.; cadoni, enzo; Quochi, Francesco; Clemente Leon, Miguel; Mercuri, Maria Laura; Coronado, Eugenio","Reversible Tuning of Luminescence and Magnetism in a Structurally Flexible Erbium-Anilato MOF","Chemical Science","2022","","","","","10.1039/D2SC00769J","","x-ray","0.71073","MoKα","","0.2072","0.14","","","0.2986","0.3613","","","","","","1.09","","","","has coordinates","275306","2022-05-10","22:08:15",""
"1566951","10.9337","0.0004","16.6716","0.0007","9.6093","0.0004","90","","98.976","0.001","90","","1730.15","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 Zn2 -","- C38 H40 N4 Zn2 -","- C76 H80 N8 Zn4 -","2","0.5","","Liao, Xi; Cui, Feng-Chao; He, Jiang-Hua; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Yue-Tao","A sustainable approach for the synthesis of recyclable cyclic CO2-based polycarbonates","Chemical Science","2022","","","","","10.1039/D2SC01387H","","","0.71073","MoKα","","0.0482","0.0435","","","0.1072","0.1095","","","","","","1.071","","","","has coordinates","275344","2022-05-11","22:09:58",""
"1566952","9.9015","0.0003","11.8523","0.0004","14.5872","0.0004","93.222","0.002","99.421","0.002","100.578","0.001","1653.52","0.09","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N2 O6 S2 -","- C39 H34 N2 O6 S2 -","- C78 H68 N4 O12 S4 -","2","1","","Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong","Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework","Chemical Science","2022","","","","","10.1039/D2SC01497A","","","1.34138","GaKα","","0.0893","0.0667","","","0.1626","0.1751","","","","","","1.048","","","","has coordinates,has disorder","275345","2022-05-11","22:11:05",""
"1566953","38.4865","0.0007","38.4865","0.0007","38.4865","0.0007","90","","90","","90","","57006.6","1.8","150","0.1","150","0.1","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C249 H289 N25 O80 Zr6 -","- C210 H127.999 N12 O32 Zr6 -","- C840 H511.997 N48 O128 Zr24 -","4","0.0416667","","Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong","Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework","Chemical Science","2022","","","","","10.1039/D2SC01497A","","","1.54178","CuKα","","0.1457","0.1352","","","0.3408","0.3661","","","","","","1.679","","","","has coordinates,has disorder","275345","2022-05-11","22:11:06",""
"1566954","6.1503","0.0001","12.5829","0.0003","13.1818","0.0003","90","","93.683","0.001","90","","1018.01","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F3 N2 O6 -","- C8 H5 F3 N2 O6 -","- C32 H20 F12 N8 O24 -","4","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","1.54178","CuKα","","0.0311","0.0302","","","0.0746","0.0753","","","","","","1.089","","","","has coordinates","275346","2022-05-11","22:12:04",""
"1566955","10.9727","0.0005","11.795","0.0004","14.1878","0.0007","90","","90","","90","","1836.23","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((2R,4S)-4-(4-bromophenyl)-2-(3,5-dinitrophenyl)-2-(trifluoromethyl)-1,3-dioxolan-4-yl)methanol","","- C17 H12 Br F3 N2 O7 -","- C17 H12 Br F3 N2 O7 -","- C68 H48 Br4 F12 N8 O28 -","4","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","0.71073","MoKα","","0.0425","0.0358","","","0.0778","0.0816","","","","","","1.075","","","","has coordinates","275346","2022-05-11","22:12:05",""
"1566956","13.5889","0.0003","9.9317","0.0002","20.9678","0.0004","90","","90","","90","","2829.83","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O4 -","- C15 H12 F3 N O4 -","- C120 H96 F24 N8 O32 -","8","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","1.54178","CuKα","","0.0382","0.0338","","","0.0801","0.0827","","","","","","1.044","","","","has coordinates","275346","2022-05-11","22:12:05",""
"1566957","13.5907","0.0008","15.0346","0.0009","18.9632","0.0012","97.644","0.002","101.994","0.002","104.537","0.002","3598","0.4","213","2","213","2","","","","","","","","3","P 1","P 1","1","","(2R,3S,4R,5S,6R)-6-((benzoyloxy)methyl)-3-(3,3-dimethyl-2-oxobutyl)tetrahydro-2H-pyran-2,4,5-triyl","","- C40 H38 O10 -","- C40 H38 O10 -","- C160 H152 O40 -","4","4","","Zhao, Gaoyuan; Mukherjee, Upasana; Zhou, Lin; Wu, Yue; Yao, Wang; Mauro, Jaclyn N.; Liu, Peng; Ngai, Ming-Yu","C2-ketonylation of carbohydrates via excited-state palladium-catalyzed 1,2-spin-center shift","Chemical Science","2022","","","","","10.1039/D2SC01042A","","","0.71073","MoKα","","0.1074","0.0481","","","0.0856","0.1022","","","","","","1.008","","","","has coordinates","275347","2022-05-11","22:12:40",""
"1566959","4.3819","0.0009","13.469","0.003","10.1801","0.0018","90","","97.073","0.019","90","","596.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,7_N2PXX","","","- C18 H8 N2 O2 -","- C18 H8 N2 O2 -","- C36 H16 N4 O4 -","2","0.5","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","0.71073","MoKα","","0.1359","0.0684","","","0.1879","0.2422","","","","","","1.01","","","","has coordinates","275379","2022-05-12","22:17:32",""
"1566960","7.5646","0.0006","3.6755","0.0003","23.933","0.002","90","","95.995","0.008","90","","661.79","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,9_N2PXX","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","0.5","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","1.54184","CuKα","","0.0877","0.0758","","","0.2203","0.2465","","","","","","1.074","","","","has coordinates","275379","2022-05-12","22:17:33",""
"1566961","4.1848","0.0003","7.7399","0.0005","16.2513","0.0011","92.097","0.005","90.002","0.005","99.199","0.005","519.25","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","4,10-N,N-PXX:DITFB","","- C24 H8 F4 I2 N2 O2 -","- C24 H8 F4 I2 N2 O2 -","- C24 H8 F4 I2 N2 O2 -","1","0.5","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","0.71073","MoKα","","0.0546","0.0407","","","0.063","0.0703","","","","","","1.035","","","","has coordinates","275379","2022-05-12","22:17:33",""
"1566962","11.589","0.003","3.7599","0.0012","14.384","0.003","90","","112.54","0.03","90","","578.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,10_N2PXX","","","- C18 H8 N2 O2 -","- C18 H8 N2 O2 -","- C36 H16 N4 O4 -","2","0.5","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","1.54184","CuKα","","0.1251","0.0899","","","0.2405","0.2993","","","","","","1.011","","","","has coordinates","275379","2022-05-12","22:17:33",""
"1566963","4.2046","0.0002","6.7216","0.0002","18.2394","0.0005","94.632","0.003","93.684","0.003","99.922","0.003","504.5","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,9-N,N-PXX:DITFB","","- C24 H8 F4 I2 N2 O2 -","- C24 H8 F4 I2 N2 O2 -","- C24 H8 F4 I2 N2 O2 -","1","0.5","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","0.6889","synchrotron","","0.0775","0.0514","","","0.1171","0.127","","","","","","0.956","","","","has coordinates","275379","2022-05-12","22:17:33",""
"1566964","12.826","0.003","28.416","0.006","27.47","0.005","90","","101.61","0.03","90","","9807","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24.75 N3 O7.88 -","- C27 H15 N3 O7.875 -","- C432 H240 N48 O126 -","16","2","","Valentini, Cataldo; Gowland, Duncan; Bezzu, C. Grazia; Romito, Deborah; Demitri, Nicola; Bonini, Nicola; Bonifazi, Davide","Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case","Chemical Science","2022","","","","","10.1039/D2SC01038K","","","0.7","Synchrotron","","0.2453","0.1006","","","0.2516","0.348","","","","","","0.992","","","","has coordinates,has disorder","275379","2022-05-12","22:17:34",""
"1566965","10.17","0.0004","12.074","0.0005","15.7696","0.0006","91.221","0.002","90.452","0.002","114.46","0.002","1761.9","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H54 N5 Nb O3 -","- C37 H54 N5 Nb O3 -","- C74 H108 N10 Nb2 O6 -","2","1","","Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian","Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations","Chemical Science","2022","","","","","10.1039/D2SC01926D","","","0.71073","MoKα","","0.0777","0.0632","","","0.1563","0.1634","","","","","","1.08","","","","has coordinates","275380","2022-05-12","22:18:40",""
"1566966","10.178","0.0003","12.1307","0.0004","15.7705","0.0005","91.362","0.002","90.315","0.003","114.43","0.003","1772.04","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H54 N5 O3 Ta -","- C37 H54 N5 O3 Ta -","- C74 H108 N10 O6 Ta2 -","2","1","","Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian","Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations","Chemical Science","2022","","","","","10.1039/D2SC01926D","","x-ray","0.71073","MoKα","","0.0559","0.0488","","","0.1068","0.109","","","","","","1.147","","","","has coordinates","275380","2022-05-12","22:18:41",""
"1566967","10.8852","0.0004","15.2484","0.0004","12.4719","0.0005","90","","114.466","0.005","90","","1884.23","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H54 N5 O5 Ta -","- C38 H54 N5 O5 Ta -","- C76 H108 N10 O10 Ta2 -","2","1","","Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian","Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations","Chemical Science","2022","","","","","10.1039/D2SC01926D","","x-ray","0.71073","MoKα","","0.044","0.0313","","","0.0556","0.0582","","","","","","1.027","","","","has coordinates","275380","2022-05-12","22:18:41",""
"1566968","12.9678","0.0003","14.3694","0.0004","14.5813","0.0004","63.797","0.003","69.859","0.002","65.255","0.003","2171.18","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Cu2 F10 N7 O5 S2 -","- C42 H33 Cu2 F10 N7 O5 S2 -","- C84 H66 Cu4 F20 N14 O10 S4 -","2","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.076","0.0744","","","0.1838","0.1848","","","","","","1.054","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566969","13.3106","0.0001","22.6847","0.0003","15.3728","0.0002","90","","107.618","0.001","90","","4424.05","0.09","100.15","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C38 H24 B Cu2 F8 N7 O6 S2 -","- C152 H96 B4 Cu8 F32 N28 O24 S8 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","x-ray","1.54184","CuKα","","0.0863","0.083","","","0.1948","0.1964","","","","","","1.103","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566970","12.4859","0.0001","32.2974","0.0003","21.2406","0.0002","90","","90.543","0.001","90","","8565.14","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C78 H69 B2 Cu4 F16 N14 O12.5 S4 -","- C77.962 H69 B2 Cu4 F15.886 N13.962 O12.462 S4.05 -","- C311.848 H276 B8 Cu16 F63.544 N55.848 O49.848 S16.2 -","4","1","","Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don","Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.","Chemical science","2022","13","22","6619","6625","10.1039/d2sc00848c","","","1.54184","CuKα","","0.0967","0.0866","","","0.2561","0.2677","","","","","","1.037","","","","has coordinates,has disorder","276599","2022-07-06","07:57:58",""
"1566971","13.6961","0.0012","3.76836","0.00013","28.7891","0.0032","90","","105.163","0.012","90","","1434.1","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone Model A from Rietveld refinement Attention! This is a wrong structural model, which fits well to the powder data, fits well to the pair-distribution function, behaves well in lattice-energy minimisations, and agrees with solid-state NMR data. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C80 H40 F8 N8 O8 -","4","1","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.00951","","","","","","","","4.045","","","","","","","has coordinates","287932","2023-12-01","13:54:32",""
"1566972","14.2172","0.0015","3.76778","0.00016","13.7038","0.0013","90","","102.504","0.012","90","","716.66","0.11","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone from Rietveld refinement Remark: This is the correct structural model. The model which fits well to the powder data, fits well to the pair-distribution function, has the lowest energy in lattice-energy minimisations, and agrees with solid-state NMR data. Three wrong structural models are deposited in the CSD as well. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C40 H20 F4 N4 O4 -","2","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01504","","","","","","","","5.275","","","","","","","has coordinates","287932","2023-12-01","13:54:42",""
"1566973","3.8854","0.00045","7.0333","0.001","14.1014","0.0029","102.713","0.016","86.084","0.014","105.939","0.016","361.44","0.11","300","","300","","","","","","","","","5","P -1","-P 1","2","4,11-Difluoro-quinacridone Model C from Rietveld refinement Attention! This is a wrong structural model, which fits quite well to the powder data, fits well to the pair-distribution function, and agrees with solid-state NMR data, but has an unfavourable lattice energy. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model A","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","1","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01941","","","","","","","","7.768","","","","","","","has coordinates","287932","2023-12-01","13:54:57",""
"1566974","14.3352","0.0024","3.77265","0.00033","27.374","0.0041","90","","103.686","0.023","90","","1438.4","0.4","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone Model D from Rietveld refinement Attention! This is a wrong structural model, which fits quite well to the powder data, fits well to the pair-distribution function, but does not agree with solid-state NMR data, and has an unfavourable lattice energy. Further discussion see publication.","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, wrong structural model D","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C80 H40 F8 N8 O8 -","4","1","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","","1.54056","CuKα~1~","","0.01734","","","","","","","","6.786","","","","","","","has coordinates","287932","2023-12-01","13:55:02",""
"1566975","14.166","0.017","3.758","0.003","13.762","0.014","90","","103.09","0.15","90","","713.6","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone (Structural model B) Structure refined by fit to the pair-distribution function","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C40 H20 F4 N4 O4 -","2","0.5","","Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.","Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D","IUCrJ","2022","9","4","","","10.1107/S2052252522004237","powder diffraction","x-ray","0.1631","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","287932","2023-12-01","13:55:12",""
"1566976","16.9909","0.0002","33.0617","0.0004","22.675","0.0002","90","","104.519","0.001","90","","12330.9","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C101 H175 As8 K3 N10 Nb O18 Zn4 -","- C404 H700 As32 K12 N40 Nb4 O72 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0452","0.0406","","","0.1011","0.1031","","","","","","1.097","","","","has coordinates,has disorder","276600","2022-07-06","07:58:20",""
"1566977","17.0926","0.0002","32.8161","0.0004","22.5199","0.0003","90","","104.29","0.0014","90","","12240.8","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C92 H160 As8 K3 N8 O18 Ta Zn4 -","- C368 H640 As32 K12 N32 O72 Ta4 Zn16 -","4","1","","Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming","Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.","Chemical science","2022","13","22","6744","6748","10.1039/d2sc01748b","","x-ray","1.54184","CuKα","","0.0593","0.0472","","","0.1204","0.1264","","","","","","1.068","","","","has coordinates","276600","2022-07-06","07:58:20",""
"1566978","35.2188","0.0004","15.3914","0.00016","12.77462","0.00011","90","","90","","90","","6924.7","0.12","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Cr Mg2 N4 O6 -","- C71 H92 Cr Mg2 N4 O6 -","- C284 H368 Cr4 Mg8 N16 O24 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0427","0.0376","","","0.0931","0.0978","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566979","35.3464","0.0008","15.4039","0.0003","12.869","0.0003","90","","90","","90","","7006.8","0.3","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C71 H92 Mg2 N4 O6 W -","- C71 H91 Mg2 N4 O6 W -","- C284 H364 Mg8 N16 O24 W4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.057","0.0427","","","0.1045","0.1166","","","","","","1.023","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566980","15.2588","0.0007","12.9668","0.0005","35.832","0.003","90","","97.903","0.005","90","","7022.3","0.7","172.95","0.1","172.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H91 Mg2 Mn N4 O3 -","- C67 H91 Mg2 Mn N4 O3 -","- C268 H364 Mg8 Mn4 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.124","0.0822","","","0.2192","0.2545","","","","","","1.028","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566981","14.0176","0.0004","13.9077","0.0005","40.2691","0.001","90","","99.749","0.003","90","","7737.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Mg2 N4 O2 Rh -","- C79 H120 Mg2 N4 O2 Rh -","- C316 H480 Mg8 N16 O8 Rh4 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.0652","0.0443","","","0.0977","0.1068","","","","","","1.02","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566982","19.433","0.0002","17.40489","0.00018","30.8931","0.0004","90","","96.4115","0.0012","90","","10383.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Cr Mg3 N6 O5 -","- C103.994 H153.986 Cr Mg3 N6 O5 -","- C415.976 H615.944 Cr4 Mg12 N24 O20 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.0915","0.057","","","0.1418","0.1667","","","","","","1.022","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566983","14.0273","0.0006","13.9062","0.0006","40.2048","0.0014","90","","99.779","0.004","90","","7728.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H120 Ir Mg2 N4 O2 -","- C79 H120 Ir Mg2 N4 O2 -","- C316 H480 Ir4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","0.71073","MoKα","","0.1545","0.1271","","","0.3227","0.331","","","","","","1.266","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566984","15.3628","0.0002","12.9497","0.0002","35.885","0.0006","90","","99.436","0.002","90","","7042.5","0.19","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Cr Mg2 N4 O3 -","- C67 H90 Cr Mg2 N4 O3 -","- C268 H360 Cr4 Mg8 N16 O12 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1388","0.1558","","","","","","1.025","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566985","13.3957","0.001","13.4353","0.0008","22.6744","0.0008","99.136","0.004","97.078","0.004","112.627","0.006","3642.1","0.4","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C77 H100 Fe Mg2 N4 O5 -","- C77 H100 Fe Mg2 N4 O5 -","- C154 H200 Fe2 Mg4 N8 O10 -","2","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","x-ray","0.71073","MoKα","","0.127","0.098","","","0.3006","0.3168","","","","","","1.116","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566986","13.9878","0.0004","13.5935","0.0008","41.687","0.003","90","","92.375","0.005","90","","7919.7","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H115 Co Mg2 N4 O2 -","- C84.007 H115.008 Co Mg2 N4 O2 -","- C336.028 H460.032 Co4 Mg8 N16 O8 -","4","1","","Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.","Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.","Chemical science","2022","13","22","6592","6598","10.1039/d2sc02063g","","","1.54184","CuKα","","0.1655","0.1004","","","0.2251","0.2711","","","","","","1.042","","","","has coordinates,has disorder","276597","2022-07-06","07:57:25",""
"1566987","20.3058","0.0005","20.3058","0.0005","24.3847","0.0007","90","","90","","90","","10054.4","0.5","200","2","200","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H48 As8 N12 Ni2 O26 V6 -","- C12 H48 As8 N12 Ni2 O26 V6 -","- C96 H384 As64 N96 Ni16 O208 V48 -","8","0.25","","Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang","Composition-driven archetype dynamics in polyoxovanadates","Chemical Science","2022","","","","","10.1039/D2SC01004F","","","0.71073","MoKα","","0.0465","0.0396","","","0.0917","0.095","","","","","","1.198","","","","has coordinates","275461","2022-05-16","22:18:07",""
"1566988","23.1578","0.0005","11.9216","0.0003","11.7372","0.0004","90","","95.2333","0.0016","90","","3226.88","0.15","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 As8 N12 Ni2 O45 V12 -","- C12 As8 N12 Ni2 O45 V12 -","- C24 As16 N24 Ni4 O90 V24 -","2","0.5","","Kondinski, Aleksandar; Rasmussen, Maren; Mangelsen, Sebastian; Pienack, Nicole; Simjanoski, Viktor; Näther, Christian; Stares, Daniel L.; Schalley, Christoph A.; Bensch, Wolfgang","Composition-driven archetype dynamics in polyoxovanadates","Chemical Science","2022","","","","","10.1039/D2SC01004F","powder diffraction","x-ray","0.563913","","","","","","","","","","3.66","","","","","","","","has coordinates","275462","2022-05-16","22:18:30",""
"1566989","11.819","0.002","12.632","0.002","10.1183","0.0016","90","","90","","90","","1510.6","0.4","99.93","","99.93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15.23 H28.13 Cu1.07 N4.3 -","- C15.228 H28.128 Cu1.0715 N4.302 -","- C60.912 H112.512 Cu4.286 N17.208 -","4","0.5","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","","0.71073","MoKα","","0.0497","0.0311","","","0.0729","0.0804","","","","","","1.038","","","","has coordinates,has disorder","275491","2022-05-17","22:09:24",""
"1566990","12.064","0.0004","11.9661","0.0005","10.878","0.0003","90","","90","","90","","1570.34","0.09","100","0.1","100","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","Zinc Bis(N,N'-Dimethyl-4-penten-2-amine)","","- C14 H26 N4 Zn -","- C14 H26 N4 Zn -","- C56 H104 N16 Zn4 -","4","0.5","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","x-ray","0.71073","MoKα","","0.0447","0.0283","","","0.0687","0.0757","","","","","","1.025","","","","has coordinates","275491","2022-05-17","22:09:25",""
"1566991","22.1206","0.0017","8.3405","0.0005","17.7408","0.0014","90","","128.032","0.009","90","","2578.1","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ni(acacen)","","- C12 H19 N2 Ni O2.5 -","- C12 H19 N2 Ni O2.5 -","- C96 H152 N16 Ni8 O20 -","8","1","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","","0.71073","MoKα","","0.1112","0.0558","","","0.1056","0.124","","","","","","1.009","","","","has coordinates,has disorder","275491","2022-05-17","22:09:25",""
"1566992","34.5296","0.0012","7.5713","0.0002","19.7903","0.0007","90","","107.444","0.003","90","","4935.9","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(Acetylacetone)ethylenediamine copper(II)","","- C12 H18.13 Cu N2 O2.07 -","- C12 H18.131 Cu N2 O2.06575 -","- C192 H290.096 Cu16 N32 O33.052 -","16","2","","Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna","Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit","Chemical Science","2022","","","","","10.1039/D1SC06130E","","","0.71073","MoKα","","0.0582","0.0347","","","0.0816","0.0935","","","","","","1.017","","","","has coordinates,has disorder","275491","2022-05-17","22:09:26",""
"1566993","6.6391","0.0005","33.5424","0.0009","11.4021","0.0009","90","","106.155","0.008","90","","2438.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B Cu F4 N2 O5 -","- C19 H19 B Cu F4 N2 O5 -","- C76 H76 B4 Cu4 F16 N8 O20 -","4","1","","Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L.","3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry","Chemical Science","2022","","","","","10.1039/D2SC01041K","","","0.6866","synchrotron","","0.0882","0.0779","","","0.226","0.2403","","","","","","1.047","","","","has coordinates,has disorder","275492","2022-05-17","22:10:29",""
"1566994","14.932","0.003","31.562","0.005","14.861","0.003","90","","98.45","0.006","90","","6928","2","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 B Cu F4 N2 O4 -","- C17 H13 B Cu F4 N2 O4 -","- C204 H156 B12 Cu12 F48 N24 O48 -","12","3","","Kochetygov, Ilia; Justin, Anita; Asgari, Mehrdad; Yang, Shuliang; Karve, Vikram; Schertenleib, Till; Stoian, Dragos; Oveisi, Emad; Mensi, Mounir; Queen, Wendy L.","3D vs. turbostratic: controlling metal–organic framework dimensionality via N-heterocyclic carbene chemistry","Chemical Science","2022","","","","","10.1039/D2SC01041K","","","0.71073","MoKα","","0.2099","0.1261","","","0.3637","0.4251","","","","","","1.488","","","","has coordinates,has disorder","275492","2022-05-17","22:10:29",""
"1566995","7.4056","0.0002","9.453","0.0003","15.293","0.0005","84.544","0.002","81.654","0.003","83.321","0.003","1048.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","VL575","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C44 H54 N2 O10 -","2","1","","Martynova, Ekaterina A.; Voloshkin, Vladislav; Guillet, Sébastien; Bru, Francis; Belis, Marek; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.","Energy transfer (EnT) photocatalysis enabled by Gold-N-heterocyclic carbene (NHC) complexes","Chemical Science","2022","","","","","10.1039/D2SC00864E","","","1.54184","CuKα","","0.0678","0.0596","","","0.1717","0.181","","","","","","1.062","","","","has coordinates,has disorder","275526","2022-05-18","22:14:30",""
"1566996","15.7788","0.0018","5.6659","0.0007","16.0675","0.0019","90","","116.848","0.003","90","","1281.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","x-ray","0.71073","MoKα","K-L~3~","0.0456","0.0403","","","0.0912","0.0935","","","","","","1.087","","","","has coordinates","276602","2022-07-06","07:59:01",""
"1566997","7.7413","0.0014","10.5757","0.0019","25.507","0.005","90","","98.727","0.005","90","","2064.1","0.7","100","2","100.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H26 N2 O S -","- C23 H26 N2 O S -","- C92 H104 N8 O4 S4 -","4","2","","Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.","Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.","Chemical science","2022","13","22","6567","6572","10.1039/d2sc01563c","","","0.71073","MoKα","","0.0541","0.0529","","","0.1285","0.1298","","","","","","1.072","","","","has coordinates,has disorder","276602","2022-07-06","07:59:05",""
"1566998","12.4688","0.0008","12.8052","0.0007","15.4127","0.0008","79.663","0.005","83.931","0.005","69.083","0.005","2259.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylchloronium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Cl F24 -","- C47 H28 B Cl F24 -","- C94 H56 B2 Cl2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0737","0.0609","","","0.1671","0.1801","","","","","","1.034","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1566999","12.4957","0.0007","12.7882","0.0009","15.4855","0.0008","79.453","0.005","83.941","0.005","69.043","0.006","2269.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenylbromonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B Br F24 -","- C47 H28 B Br F24 -","- C94 H56 B2 Br2 F48 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0651","0.0547","","","0.1478","0.1562","","","","","","1.04","","","","has coordinates","287939","2023-12-01","16:52:17",""
"1567000","12.5291","0.0007","12.8808","0.0008","15.7078","0.0009","79.342","0.005","83.823","0.005","68.734","0.005","2319.4","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Mesitylphenyliodonium tetra(3,5-ditrifluoromethylphenyl)borate","","- C47 H28 B F24 I -","- C47 H28 B F24 I -","- C94 H56 B2 F48 I2 -","2","1","","Karandikar, Shubhendu S.; Bhattacharjee, Avik; Metze, Bryan E.; Javaly, Nicole; Valente, Edward J.; McCormick, Theresa M.; Stuart, David R.","Orbital analysis of bonding in diarylhalonium salts and relevance to periodic trends in structure and reactivity.","Chemical science","2022","13","22","6532","6540","10.1039/d2sc02332f","","x-ray","0.71073","MoKα","","0.0726","0.0545","","","0.157","0.1653","","","","","","0.979","","","","has coordinates","288220","2023-12-11","22:07:22",""
"1567001","8.5885","0.0003","7.5236","0.0002","9.3685","0.0004","90","","90","","90","","605.36","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H4 K Li O5 -","- C3 H4 K Li O5 -","- C12 H16 K4 Li4 O20 -","4","1","","Cao, Liling; Tian, Haotian; Lin, Donghong; Lin, Chensheng; Xu, Feng; Han, Yinglei; Yan, Tao; Chen, Jindong; Li, Bing-Xuan; Ye, Ning; Luo, Min","Flexible Functional Module Regulate Ultraviolet Optical Nonlinearity Achieving a Balance between Second-harmonic Generation Response and Birefringence","Chemical Science","2022","","","","","10.1039/D2SC01910H","","","0.71073","MoKα","","0.024","0.024","","","0.0655","0.0655","","","","","","1.094","","","","has coordinates","275584","2022-05-20","22:20:34",""
"1567002","7.9267","0.0005","10.4752","0.0007","10.6827","0.0007","107.079","0.002","100.319","0.001","102.013","0.001","801.49","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 B Cu F4 N4 -","- C13 H18 B Cu F4 N4 -","- C26 H36 B2 Cu2 F8 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0678","0.0492","","","0.0855","0.0931","","","","","","1.072","","","","has coordinates","276587","2022-07-06","07:53:43",""
"1567003","11.064","0.0005","13.6074","0.0006","11.4278","0.0005","90","","91.989","0.002","90","","1719.44","0.13","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H22 B Cu F18 N6 -","- C31 H22 B Cu F18 N6 -","- C62 H44 B2 Cu2 F36 N12 -","2","0.5","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0842","0.0534","","","0.1101","0.136","","","","","","1.038","","","","has coordinates,has disorder","276587","2022-07-06","07:53:45",""
"1567004","14.6979","0.0006","10.2199","0.0005","15.7068","0.0007","90","","105.812","0.001","90","","2270.06","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag B F6 N4 -","- C22 H16 Ag B F6 N4 -","- C88 H64 Ag4 B4 F24 N16 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0501","0.0354","","","0.0748","0.0812","","","","","","1.053","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567005","10.1272","0.0002","10.3873","0.0002","12.0427","0.0003","75.542","0.001","65.639","0.001","76.936","0.001","1106.56","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 B Cu F6 N4 -","- C22 H16 B Cu F6 N4 -","- C44 H32 B2 Cu2 F12 N8 -","2","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0373","0.0331","","","0.0824","0.0857","","","","","","1.077","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567006","11.724","0.0005","12.2179","0.0005","12.8999","0.0006","90","","93.091","0.002","90","","1845.13","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Ag F6 N4 Sb -","- C13 H18 Ag F6 N4 Sb -","- C52 H72 Ag4 F24 N16 Sb4 -","4","1","","Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika","Isolable acetylene complexes of copper and silver","Chemical Science","2022","13","24","7190","7203","10.1039/D2SC02377F","","x-ray","0.71073","MoKα","K-L~3~","0.0429","0.0352","","","0.0678","0.0744","","","","","","1.022","","","","has coordinates","276587","2022-07-06","07:53:45",""
"1567007","13.9655","0.0004","39.9035","0.001","15.4673","0.0003","90","","100.516","0.002","90","","8474.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C156 H144 Cl6 N12 O6 -","- C156 H144 Cl6 N12 O6 -","- C312 H288 Cl12 N24 O12 -","2","1","","Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong","Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components","Chemical Science","2022","","","","","10.1039/D2SC01876D","","","1.54178","CuKα","","0.1196","0.0821","","","0.2092","0.2295","","","","","","0.905","","","","has coordinates","275586","2022-05-20","22:23:06",""
"1567008","14.1106","0.0003","40.2961","0.001","15.5297","0.0003","90","","101.091","0.002","90","","8665.3","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C156 H144 Cl6 N12 O6 -","- C156 H144 Cl6 N12 O6 -","- C312 H288 Cl12 N24 O12 -","2","1","","Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong","Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components","Chemical Science","2022","","","","","10.1039/D2SC01876D","","","1.54178","CuKα","","0.0622","0.0551","","","0.1614","0.1669","","","","","","1.078","","","","has coordinates","275586","2022-05-20","22:23:07",""
"1567009","18.0776","0.0002","48.2301","0.0005","4.5424","0.0002","90","","90","","90","","3960.45","0.18","219.9","0.4","219.9","0.4","","","","","","","","4","F d d 2","F 2 -2d","43","","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","","- C21 H18 Br2 N4 -","- C21 H18 Br2 N4 -","- C168 H144 Br16 N32 -","8","0.5","BX4020","Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","IUCrData","2022","7","5","x220526","","10.1107/S2414314622005260","","x-ray","1.54178","CuKα","","0.0224","0.0223","","","0.0533","0.0533","","","","","","1.158","","","","has coordinates,has Fobs","275595","2022-05-21","02:15:44",""
"1567010","15.4863","0.0002","22.2936","0.0003","7.21","0.0001","90","","90","","90","","2489.22","0.06","219.9","0.4","219.9","0.4","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","","- C25 H26 Br2 N4 O2 -","- C25 H26 Br2 N4 O2 -","- C100 H104 Br8 N16 O8 -","4","0.5","BX4021","Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","IUCrData","2022","7","5","x220525","","10.1107/S2414314622005259","","x-ray","1.54184","CuKα","","0.0414","0.0362","","","0.1006","0.1038","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","275596","2022-05-21","02:16:12",""
"1567011","6.1823","0.0003","24.9509","0.0011","12.7606","0.0006","90","","100.257","0.002","90","","1936.92","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Phenyliodosyl)benzene tosylate dihydrate","Oxodiphenyl-λ^5^-iodanylium 4-methylbenzenesulfonate dihydrate","","- C19 H21 I O6 S -","- C19 H21 I O6 S -","- C76 H84 I4 O24 S4 -","4","1","BH4069","Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole","(Phenyliodosyl)benzene tosylate dihydrate","IUCrData","2022","7","5","x220522","","10.1107/S2414314622005223","","","0.71073","MoKα","","0.0218","0.0183","","","0.0411","0.0424","","","","","","1.091","","","","has coordinates,has Fobs","275597","2022-05-21","02:16:47",""
"1567012","14.3431","0.0018","16.633","0.002","20.226","0.003","90","","97.151","0.004","90","","4787.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Br2 I2 N36 O36 -","- C72 H108 Br2 I2 N36 O36 -","- C144 H216 Br4 I4 N72 O72 -","2","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0354","0.0339","","","0.086","0.0867","","","","","","1.171","","","","has coordinates","276591","2022-07-06","07:54:47",""
"1567013","6.6366","0.0019","6.8219","0.0019","19.554","0.006","82.484","0.007","87.519","0.007","68.781","0.006","818.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","- C24 H40 Br2 Cl2 N4 O10 -","1","0.5","","Liu, Fengbo; Yang, Hai; Sun, Dongdong; Gao, Fang; Zhang, Xiongzhi; Zhao, Zhiyong; Han, Xie; Liu, Simin","Red aqueous room-temperature phosphorescence modulated by anion–π and intermolecular electronic coupling interactions","Chemical Science","2022","13","24","7247","7255","10.1039/D1SC06503C","","","0.71073","MoKα","","0.0934","0.0637","","","0.1652","0.1803","","","","","","1.071","","","","has coordinates","276591","2022-07-06","07:54:50",""
"1567014","7.5599","0.0002","13.9242","0.0004","13.8315","0.0004","90","","92.303","0.002","90","","1454.8","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn-51","","- C12 H10 Cl2 N6 Zn -","- C12 H10 Cl2 N6 Zn -","- C48 H40 Cl8 N24 Zn4 -","4","1","","Zhou, Bo; Yan, Dongpeng","Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC01947G","","x-ray","1.54184","CuKα","","0.0261","0.0245","","","0.065","0.0661","","","","","","1.039","","","","has coordinates","275644","2022-05-25","22:13:26",""
"1567015","7.8171","0.0003","14.4787","0.0004","13.5772","0.0004","90","","94.249","0.003","90","","1532.46","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 N6 Zn -","- C12 H10 Br2 N6 Zn -","- C48 H40 Br8 N24 Zn4 -","4","1","","Zhou, Bo; Yan, Dongpeng","Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC01947G","","x-ray","1.54184","CuKα","","0.0229","0.0211","","","0.0531","0.054","","","","","","1.101","","","","has coordinates","275644","2022-05-25","22:13:27",""
"1567016","7.5306","0.0004","8.4502","0.0004","14.2634","0.0004","106.449","0.003","92.468","0.004","101.093","0.004","849.64","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl2 N4 Zn -","- C14 H14 Cl2 N6 Zn -","- C28 H28 Cl4 N12 Zn2 -","2","1","","Zhou, Bo; Yan, Dongpeng","Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC01947G","","x-ray","1.54184","CuKα","","0.0688","0.0617","","","0.1736","0.1783","","","","","","1.108","","","","has coordinates","275644","2022-05-25","22:13:27",""
"1567017","5.6168","0.0002","8.175","0.0002","39.0525","0.001","87.102","0.001","88.922","0.002","73.34","0.002","1715.7","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N4 S -","- C17 H22 N4 S -","- C68 H88 N16 S4 -","4","2","","Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao","A rechargeable molecular solar thermal system below 0 °C","Chemical Science","2022","","","","","10.1039/D2SC01873J","","","1.54178","CuKα","","0.0649","0.0428","","","0.1043","0.1155","","","","","","1.038","","","","has coordinates","275657","2022-05-26","22:07:57",""
"1567018","10.1876","0.0019","9.2946","0.0014","12.4426","0.0018","90","","104.262","0.019","90","","1141.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 S -","- C11 H12 N4 S -","- C44 H48 N16 S4 -","4","1","","Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao","A rechargeable molecular solar thermal system below 0 °C","Chemical Science","2022","","","","","10.1039/D2SC01873J","","","1.54178","CuKα","","0.0389","0.0327","","","0.0908","0.0955","","","","","","1.044","","","","has coordinates","275657","2022-05-26","22:07:57",""
"1567019","7.32492","0.00006","7.77679","0.00005","18.6427","0.00013","90","","90","","90","","1061.97","0.013","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","1","","Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J.","Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides","Chemical Science","2022","","","","","10.1039/D2SC01228F","","","1.54184","CuKα","","0.0271","0.0269","","","0.0698","0.0699","","","","","","1.074","","","","has coordinates","275658","2022-05-26","22:08:23",""
"1567020","7.2378","0.0004","7.7475","0.0004","17.8746","0.0012","83.578","0.005","83.241","0.005","67.104","0.005","914.53","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H11 Br1.5 N5 -","- C18 H11 Br1.5 N5 -","- C36 H22 Br3 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0723","0.0659","","","","0.215","","","","","","1.055","","","","has coordinates","275679","2022-05-28","02:04:37",""
"1567021","13.2712","0.0006","12.5807","0.0005","7.7388","0.0005","90","","90.466","0.004","90","","1292.03","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H10 N9 -","- C31 H10 N9 -","- C62 H20 N18 -","2","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1794","0.136","","","","0.3914","","","","","","1.064","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567022","13.3766","0.0002","12.8023","0.0002","7.7861","0.0001","90","","90.396","0.001","90","","1333.35","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H10 N9 -","- C31 H10 N9 -","- C62 H20 N18 -","2","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.086","0.0801","","","","0.2436","","","","","","1.063","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567023","7.168","0.0004","7.6291","0.0004","13.6797","0.0008","78.422","0.005","83.441","0.005","69.68","0.005","686.44","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0424","0.0421","","","","0.1145","","","","","","1.032","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567024","8.0361","0.0003","13.0398","0.0003","14.2071","0.0004","92.624","0.002","98.576","0.002","104.767","0.003","1418","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H16 Br2 N9 -","- C31 H16 Br2 N9 -","- C62 H32 Br4 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0456","0.0416","","","","0.1124","","","","","","0.778","","","","has coordinates","275679","2022-05-28","02:04:38",""
"1567025","13.0864","0.0002","25.3377","0.0004","7.8403","0.0001","90","","92.651","0.001","90","","2596.9","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H17 N9 -","- C31 H17 N9 -","- C124 H68 N36 -","4","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0533","0.0468","","","","0.1416","","","","","","0.929","","","","has coordinates,has disorder","275679","2022-05-28","02:04:38",""
"1567026","7.8212","0.0005","9.7542","0.0007","13.2653","0.0007","78.103","0.005","75.829","0.005","82.246","0.005","956.32","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N14 -","- C48 H26 N14 -","- C48 H26 N14 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0765","0.0686","","","","0.2069","","","","","","0.928","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567027","7.5693","0.0003","13.03","0.0003","18.5239","0.0005","105.159","0.002","90.971","0.003","98.382","0.003","1741.66","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Br2 I N10 -","- C36 H22 Br2 I N10 -","- C72 H44 Br4 I2 N20 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0414","0.0381","","","","0.1125","","","","","","0.898","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567028","6.6911","0.0002","7.8201","0.0003","27.6491","0.0006","97.673","0.002","90.168","0.002","108.973","0.003","1354.23","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H14 Br2 N9 -","- C30 H14 Br2 N9 -","- C60 H28 Br4 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0472","0.0434","","","","0.1177","","","","","","1.042","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567029","7.7274","0.0004","13.1422","0.0006","13.3145","0.0006","99.902","0.004","106.251","0.005","97.225","0.004","1256.99","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H16 N9 -","- C30 H16 N9 -","- C60 H32 N18 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0925","0.0815","","","","0.238","","","","","","1.699","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567030","7.2867","0.0005","7.7545","0.0004","13.1305","0.0007","92.616","0.005","103.414","0.005","113.979","0.006","651.19","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H8 N9 -","- C29 H8 N9 -","- C29 H8 N9 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1347","0.1198","","","","0.3926","","","","","","1.558","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567031","7.1249","0.0013","7.6572","0.0013","14.4249","0.001","89.017","0.01","83.589","0.012","68.34","0.017","726.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H16 N10 -","- C36 H16 N10 -","- C36 H16 N10 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1394","0.1281","","","","0.3816","","","","","","1.481","","","","has coordinates,has disorder","275679","2022-05-28","02:04:39",""
"1567032","7.2179","0.001","7.6887","0.0014","14.5445","0.0013","89.176","0.01","82.57","0.009","69.284","0.014","748.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H16 N10 -","- C36 H16 N10 -","- C36 H16 N10 -","1","0.5","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.1164","0.1078","","","","0.3477","","","","","","1.4","","","","has coordinates,has disorder","275679","2022-05-28","02:04:39",""
"1567033","7.0634","0.0004","7.8154","0.0005","13.468","0.0008","73.628","0.005","89.55","0.005","67.258","0.006","653.56","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H9 N5 -","- C15 H9 N5 -","- C30 H18 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0663","0.0592","","","","0.1813","","","","","","0.996","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567034","7.1924","0.0003","7.8489","0.0005","13.617","0.0009","106.174","0.006","90.739","0.004","112.525","0.005","675.74","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H9 N5 -","- C15 H9 N5 -","- C30 H18 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0647","0.0589","","","","0.193","","","","","","1.018","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567035","9.1474","0.0002","11.3666","0.0005","15.9321","0.0006","106.234","0.004","91.277","0.003","99.804","0.003","1562.98","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H20 N9 O -","- C37 H20 N9 O -","- C74 H40 N18 O2 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0529","0.0458","","","","0.1796","","","","","","0.712","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567036","7.5381","0.0005","8.013","0.0007","13.3368","0.0012","103.618","0.008","90.811","0.006","115.727","0.008","699.07","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H8 N5 -","- C16 H8 N5 -","- C32 H16 N10 -","2","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0817","0.0725","","","","0.2367","","","","","","1.066","","","","has coordinates","275679","2022-05-28","02:04:39",""
"1567037","7.0735","0.0005","7.8171","0.0004","13.8419","0.0004","74.353","0.004","88.928","0.004","67.934","0.006","680.1","0.07","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H15 I N9 -","- C30 H15 I N9 -","- C30 H15 I N9 -","1","1","","Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka","Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals","IUCrJ","2022","9","4","","","10.1107/S2052252522004717","","","1.54184","CuKα","","0.0629","0.0625","","","","0.146","","","","","","1.099","","","","has coordinates","275679","2022-05-28","02:04:40",""
"1567038","16.7731","0.0003","7.1332","0.0002","19.2367","0.0004","90","","104.828","0.002","90","","2224.95","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N O -","- C29 H22 Cl N O -","- C116 H88 Cl4 N4 O4 -","4","1","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0608","0.049","","","0.1322","0.1374","","","","","","1.084","","","","has coordinates","276593","2022-07-06","07:55:31",""
"1567039","18.7457","0.0002","7.7279","0.0001","31.217","0.0004","90","","93.528","0.001","90","","4513.68","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cl2 N2 O2 Rh2 -","- C50 H58 Cl2 N2 O2 Rh2 -","- C200 H232 Cl8 N8 O8 Rh8 -","4","1","","Sun, Lincong; Zhao, Yuyao; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","RhodiumIII-catalyzed remote difunctionalization of arenes assisted by a relay directing group","Chemical Science","2022","13","24","7347","7354","10.1039/D2SC02205B","","x-ray","1.54184","CuKα","","0.0583","0.0466","","","0.1166","0.1232","","","","","","1.041","","","","has coordinates","276593","2022-07-06","07:55:34",""
"1567040","9.018","0.005","20.697","0.009","17.164","0.006","90","","98.38","0.02","90","","3169","2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 N2 O4 S -","- C37 H38 N2 O4 S -","- C148 H152 N8 O16 S4 -","4","1","","Jiang, Kun; Li, Shi-Jun; Liu, Qing-Peng; Yu, Ning; Li, Yu-Lin; Zhou, Yu-Qiang; He, Kui-Cheng; Lin, Jing; Zheng, Ting-Yu; Lang, Jian; Lan, Yu; Wei, Ye","Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers","Chemical Science","2022","13","24","7283","7288","10.1039/D2SC01548J","","","0.71073","MoKα","","0.0811","0.0506","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","276589","2022-07-06","07:54:14",""
"1567041","11.5265","0.0006","10.1543","0.0005","12.3229","0.0007","90","","95.063","0.002","90","","1436.69","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.36 H13.07 Br0.64 N O -","- C19.3591 H13.0773 Br0.6409 N O -","- C77.4364 H52.3092 Br2.5636 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0455","0.0339","","","0.0775","0.0815","","","","","","1.043","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567042","11.5657","0.0006","10.1316","0.0005","12.3187","0.0006","90","","95.031","0.002","90","","1437.93","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.47 H13.41 Br0.53 N O -","- C19.4724 H13.4172 Br0.5276 N O -","- C77.8896 H53.6688 Br2.1104 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0386","0.0299","","","0.0708","0.0744","","","","","","1.025","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567043","11.568","0.0007","10.1429","0.0005","12.3305","0.0007","90","","95.097","0.002","90","","1441.05","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.44 H13.32 Br0.56 N O -","- C19.4399 H13.3197 Br0.5601 N O -","- C77.7596 H53.2788 Br2.2404 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0355","0.0284","","","0.0667","0.0696","","","","","","1.024","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567044","11.585","0.0007","10.11","0.0006","12.3005","0.0007","90","","94.882","0.004","90","","1435.46","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.56 H13.67 Br0.44 N O -","- C19.557 H13.671 Br0.443 N O -","- C78.228 H54.684 Br1.772 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0919","0.0682","","","0.1966","0.2147","","","","","","1.046","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567045","11.603","0.0008","10.0711","0.0006","12.3038","0.0008","90","","94.846","0.002","90","","1432.62","0.16","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.81 H14.44 Br0.19 N O -","- C19.8125 H14.4375 Br0.1875 N O -","- C79.25 H57.75 Br0.75 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0448","0.0367","","","0.098","0.102","","","","","","1.041","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567046","11.6141","0.0006","10.0515","0.0005","12.2961","0.0006","90","","94.745","0.001","90","","1430.52","0.12","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.91 H14.74 Br0.09 N O -","- C19.9121 H14.7363 Br0.0879 N O -","- C79.6484 H58.9452 Br0.3516 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0449","0.0388","","","0.1028","0.1071","","","","","","1.04","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567047","11.5964","0.001","10.0911","0.0008","12.308","0.001","90","","94.854","0.002","90","","1435.1","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.71 H14.14 Br0.29 N O -","- C19.7132 H14.1396 Br0.2868 N O -","- C78.8528 H56.5584 Br1.1472 N4 O4 -","4","1","","Xu, Zhen; Hean, Duane; Yuan, Jennifer; Wolf, Michael O.","Control of photoluminescence quantum yield and long-lived triplet emission lifetime in organic alloys","Chemical Science","2022","","","","","10.1039/D2SC01922A","","","0.71073","MoKα","","0.0458","0.037","","","0.0893","0.0931","","","","","","1.066","","","","has coordinates,has disorder","275690","2022-05-30","22:13:13",""
"1567048","10.1334","0.0004","10.2002","0.0003","11.4807","0.0004","93.3946","0.0013","99.9779","0.0014","107.948","0.0013","1103.79","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","- C53 H37 N11 O4 -","1","1","","Gorai, Tumpa; Lovitt, June I.; Umadevi, Deivasigamani; McManus, Gavin; Gunnlaugsson, Thorfinnur","Hierarchical supramolecular co-assembly formation employing multi-component light-harvesting charge transfer interactions giving rise to long-wavelength emitting luminescent microspheres.","Chemical science","2022","13","26","7805","7813","10.1039/d2sc02097a","","x-ray","0.71073","MoKα","K-L~3~","0.0934","0.0551","","","0.1136","0.1315","","","","","","1.012","","","","has coordinates","277103","2022-08-06","11:43:31",""
"1567049","12.733","0.004","13.433","0.005","14.738","0.005","63.059","0.008","71.223","0.009","73.702","0.009","2100.3","1.3","120","","120","","","","","","","","","5","P 1","P 1","1","","","","- C75.5 H85.5 Cl10.5 N12 O12 -","- C72 H82 N12 O12 -","- C72 H82 N12 O12 -","1","1","","Al Kelabi, Dana; Dey, Avishek; Alimi, Lukman O.; Piwoński, Hubert; Habuchi, Satoshi; Khashab, Niveen M.","Photostable polymorphic organic cages for targeted live cell imaging","Chemical Science","2022","13","24","7341","7346","10.1039/D2SC00836J","","","0.71073","MoKα","","0.1169","0.0873","","","0.2043","0.2226","","","","","","0.971","","","","has coordinates","276595","2022-07-06","07:56:10",""
"1567050","6.7358","0.0001","11.9489","0.0002","11.5149","0.0002","90","","103.165","0.002","90","","902.42","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H21 B11 -","- C15 H21 B11 -","- C30 H42 B22 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0483","0.0466","","","0.1221","0.1245","","","","","","1.032","","","","has coordinates","275750","2022-06-02","22:15:10",""
"1567051","7.8822","0.0001","11.7078","0.0002","13.388","0.0003","105.252","0.002","90.534","0.002","92.608","0.002","1190.45","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 B11 O -","- C21 H30 B11 O -","- C42 H60 B22 O2 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0546","0.0457","","","0.1233","0.1366","","","","","","1.103","","","","has coordinates","275750","2022-06-02","22:15:11",""
"1567052","9.2177","0.0001","10.2602","0.0001","13.2793","0.0001","107.932","0.001","90.235","0.001","114.595","0.001","1073.71","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 B Br N -","- C25 H25 B Br N -","- C50 H50 B2 Br2 N2 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0261","0.0254","","","0.0651","0.0659","","","","","","1.066","","","","has coordinates","275750","2022-06-02","22:15:11",""
"1567053","13.6036","0.0003","13.3357","0.0002","16.4811","0.0002","90","","96.337","0.002","90","","2971.63","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 B11 N2 -","- C28 H37 B11 N2 -","- C112 H148 B44 N8 -","4","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0576","0.0516","","","0.1346","0.1423","","","","","","1.047","","","","has coordinates","275750","2022-06-02","22:15:12",""
"1567054","8.9395","0.0001","9.8238","0.0001","29.8355","0.0003","90","","90","","90","","2620.15","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 B11 Br -","- C23 H28 B11 Br -","- C92 H112 B44 Br4 -","4","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0376","0.0363","","","0.0891","0.0899","","","","","","1.046","","","","has coordinates","275750","2022-06-02","22:15:12",""
"1567055","12.6143","0.0002","21.4357","0.0003","13.0722","0.0002","90","","116.555","0.002","90","","3161.79","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B11 -","- C24 H36 B11 -","- C96 H144 B44 -","4","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0583","0.0519","","","0.1383","0.1439","","","","","","1.044","","","","has coordinates","275750","2022-06-02","22:15:12",""
"1567056","27.0865","0.0002","27.0865","0.0002","12.6873","0.0002","90","","90","","90","","9308.4","0.18","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C19 H29 B11 O -","- C19 H29 B11 O -","- C304 H464 B176 O16 -","16","2","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.1044","0.0964","","","0.2815","0.2922","","","","","","1.066","","","","has coordinates,has disorder","275750","2022-06-02","22:15:12",""
"1567057","39.182","0.0004","9.7414","0.0001","13.0827","0.0001","90","","93.923","0.001","90","","4981.8","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 B Br N2 -","- C28 H33 B Br N2 -","- C224 H264 B8 Br8 N16 -","8","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0354","0.033","","","0.0876","0.089","","","","","","1.081","","","","has coordinates","275750","2022-06-02","22:15:12",""
"1567058","9.1163","0.0002","9.2445","0.0002","14.8961","0.0002","92.922","0.001","107.409","0.001","114.918","0.002","1063.39","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 B Br N -","- C23 H29 B Br N -","- C46 H58 B2 Br2 N2 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0278","0.0267","","","0.0723","0.0731","","","","","","1.059","","","","has coordinates","275750","2022-06-02","22:15:13",""
"1567059","9.6639","0.0002","9.8598","0.0002","17.3492","0.0003","84.8","0.001","80.733","0.002","68.625","0.002","1518.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 B11 Br N -","- C28 H37 B11 Br N -","- C56 H74 B22 Br2 N2 -","2","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0348","0.0316","","","0.0804","0.0823","","","","","","1.052","","","","has coordinates","275750","2022-06-02","22:15:13",""
"1567060","15.9256","0.0001","12.1813","0.0001","24.8883","0.0002","90","","97.611","0.001","90","","4785.66","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B11 -","- C23 H29 B11 -","- C184 H232 B88 -","8","2","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0467","0.0435","","","0.1129","0.1162","","","","","","1.048","","","","has coordinates","275750","2022-06-02","22:15:13",""
"1567061","12.3347","0.0001","21.712","0.0001","13.3034","0.0001","90","","115.859","0.001","90","","3206.05","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 B11 N -","- C32 H38 B11 N -","- C128 H152 B44 N4 -","4","2","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0425","0.0404","","","0.1032","0.1064","","","","","","1.018","","","","has coordinates,has disorder","275750","2022-06-02","22:15:13",""
"1567062","15.8288","0.0001","16.0876","0.0002","21.5724","0.0001","94.138","0.001","92.684","0.001","106.677","0.001","5235.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 B11 N -","- C26 H42 B11 N -","- C156 H252 B66 N6 -","6","3","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.065","0.0519","","","0.1308","0.1379","","","","","","1.04","","","","has coordinates,has disorder","275750","2022-06-02","22:15:13",""
"1567063","19.2184","0.0002","47.4362","0.0006","24.0097","0.0003","90","","100.521","0.0012","90","","21520.4","0.5","173","0.02","173","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C192 H242 Cl2 Cu18 P4 S12 -","- C192 H242 Cl2 Cu18 P4 S12 -","- C768 H968 Cl8 Cu72 P16 S48 -","4","1","","Mandal, Sukhendu; Das, Anish Kumar; Biswas, Sourav; Wani, Vaibhav Shridhar; Nair, Akhil S.; Pathak, Biswarup","[Cu18H3(S-Adm)12(PPh3)4Cl2]: Fusion of Platonic and Johnson Solids Through Cu(0) Center and Its Photophysical Properties","Chemical Science","2022","","","","","10.1039/D2SC02544B","","x-ray","1.54184","CuKα","","0.0722","0.0534","","","0.1127","0.1199","","","","","","1.016","","","","has coordinates","275751","2022-06-02","22:16:57",""
"1567064","12.556","0.0003","26.6378","0.0007","45.7727","0.001","90","","90","","90","","15309.3","0.6","193","2","193","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C70 H89 N O12 -","- C70 H89 N O12 -","- C560 H712 N8 O96 -","8","0.25","","Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals","Chemical Science","2022","","","","","10.1039/D2SC02494B","","","1.34139","GaKα","","0.1093","0.0929","","","0.2533","0.2659","","","","","","1.034","","","","has coordinates,has disorder","275752","2022-06-02","22:18:03",""
"1567065","12.5731","0.0004","22.6648","0.0007","14.4358","0.0004","90","","113.995","0.002","90","","3758.2","0.2","213","","213","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C70 H92 O13 -","- C70 H92 O13 -","- C140 H184 O26 -","2","0.5","","Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals","Chemical Science","2022","","","","","10.1039/D2SC02494B","","","1.34139","GaKα","","0.1261","0.0982","","","0.2222","0.2387","","","","","","0.949","","","","has coordinates","275752","2022-06-02","22:18:04",""
"1567066","14.9616","0.0005","16.3732","0.0006","24.4025","0.001","109.598","0.003","98.054","0.002","90","0.002","5568.9","0.4","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H83.5 N1.5 O10 -","- C61 H83.5 N1.5 O10 -","- C244 H334 N6 O40 -","4","2","","Cao, Jiajun; Wu, Yitao; Li, Qi; Zhu, Weijie; Wang, Zeju; Liu, Yang; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe","Separation of pyrrolidine from tetrahydrofuran by pillar[6]arene-based nonporous adaptive crystals","Chemical Science","2022","","","","","10.1039/D2SC02494B","","","1.34139","GaKα","","0.1505","0.099","","","0.2554","0.3027","","","","","","1.028","","","","has coordinates","275752","2022-06-02","22:18:04",""
"1567067","22.243","0.0008","8.33206","0.00019","18.2305","0.0006","90","","113.89","0.004","90","","3089.19","0.19","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Br2 S2 Si6 -","- C20 H34 Br2 S2 Si6 -","- C80 H136 Br8 S8 Si24 -","4","0.5","","Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S.","Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials","Chemical Science","2022","","","","","10.1039/D2SC01690G","","","0.71073","MoKα","","0.0233","0.0198","","","0.0458","0.0471","","","","","","1.021","","","","has coordinates","275839","2022-06-06","22:11:53",""
"1567068","10.3662","0.0005","11.2796","0.0006","14.0764","0.0007","90","","91.466","0.004","90","","1645.37","0.14","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 O2 Si6 -","- C26 H44 O2 Si6 -","- C52 H88 O4 Si12 -","2","0.5","","Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S.","Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials","Chemical Science","2022","","","","","10.1039/D2SC01690G","","","1.54178","CuKα","","0.0736","0.051","","","0.1223","0.1385","","","","","","1.042","","","","has coordinates","275839","2022-06-06","22:11:54",""
"1567069","36.335","0.0008","6.64881","0.00013","18.7594","0.0004","90","","95.565","0.002","90","","4510.62","0.16","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Si6 -","- C24 H40 Si6 -","- C144 H240 Si36 -","6","1.5","","Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S.","Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials","Chemical Science","2022","","","","","10.1039/D2SC01690G","","","0.71073","MoKα","","0.0537","0.04","","","0.0871","0.0945","","","","","","1.091","","","","has coordinates","275839","2022-06-06","22:11:54",""
"1567070","8.8909","0.0003","13.8639","0.0004","37.001","0.0012","86.116","0.002","83.625","0.002","81.6","0.002","4477.9","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H58 Si10 -","- C30 H58 Si10 -","- C120 H232 Si40 -","4","2","","Jiang, Qifeng; Gittens, Alexandra; Wong, Sydnee; Siegler, Maxime A.; Klausen, Rebekka S.","Highly Selective Addition of Cyclosilanes to Alkynes Enabling New Conjugated Materials","Chemical Science","2022","","","","","10.1039/D2SC01690G","","","1.54178","CuKα","","0.0792","0.0676","","","0.1842","0.1933","","","","","","1.099","","","","has coordinates,has disorder","275839","2022-06-06","22:11:54",""
"1567071","9.65133","0.00009","11.74209","0.00011","25.3227","0.0002","90","","90.6825","0.0008","90","","2869.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","4","","Liu, Teng; Ni, Shaofei; Guo, Wusheng","Practical asymmetric amine nucleophilic approach for the modular construction of protected α-quaternary amino acids","Chemical Science","2022","","","","","10.1039/D2SC02318K","","x-ray","1.54184","CuKα","","0.0348","0.0333","","","0.0838","0.0853","","","","","","1.046","","","","has coordinates","275840","2022-06-06","22:12:42",""
"1567072","7.1241","0.0005","34.022","0.002","7.3539","0.0005","90","","90.288","0.004","90","","1782.4","0.2","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N5 O5 -","- C18 H17 N5 O5 -","- C72 H68 N20 O20 -","4","2","","Zhang, Dequan; Wen, Jialin; Zhang, Xumu","Construction of a quaternary stereogenic center by asymmetric hydroformylation: a straightforward method to prepare chiral α-quaternary amino acids","Chemical Science","2022","13","24","7215","7223","10.1039/D2SC02139K","","x-ray","1.54178","CuKα","","0.0391","0.0348","","","0.0815","0.0843","","","","","","1.07","","","","has coordinates","276588","2022-07-06","07:54:00",""
"1567073","11.191","0.0013","18.5238","0.0019","21.495","0.002","90","","90","","90","","4455.9","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N2 Pd -","- C48 H45 Cl N2 Pd -","- C192 H180 Cl4 N8 Pd4 -","4","1","","Lu, Zhou; Liao, Yudan; Fan, Weigang; Dai, Shengyu","Efficient suppression of the chain transfer reaction in ethylene coordination polymerization with dibenzosuberyl substituents","Polymer Chemistry","2022","13","28","4090","4099","10.1039/D2PY00282E","","","0.71073","MoKα","","0.0906","0.058","","","0.1261","0.1404","","","","","","1.054","","","","has coordinates,has disorder","277146","2022-08-06","12:04:00",""
"1567074","13.9156","0.0003","3.92009","0.00008","30.0833","0.0006","90","","102.038","0.001","90","","1604.97","0.06","99.99","","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","1","0.25","","Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M.","Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media","Molecules","2022","27","10","3146","","10.3390/molecules27103146","","","0.71073","MoKα","","0.0448","0.0283","","","0.0501","0.0541","","","","","","1.0355","","","","has coordinates","275854","2022-06-07","03:54:48",""
"1567075","8.7215","0.0001","10.1275","0.0001","12.8202","0.0001","101.771","0.001","103.693","0.001","90.843","0.001","1074.68","0.019","130.02","0.16","130.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C48 H42 Cl2 N8 O4 -","2","1","","Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A.","4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications.","Molecules (Basel, Switzerland)","2022","27","10","3191","","10.3390/molecules27103191","","x-ray","1.54184","CuKα","","0.0374","0.0365","","","0.0955","0.0964","","","","","","1.054","","","","has coordinates","275855","2022-06-07","03:55:14",""
"1567076","14.7293","0.0004","18.9653","0.0006","22.0241","0.0006","66.815","0.001","72.348","0.001","74.252","0.002","5307.4","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C111 H127 N11 O4 -","- C111 H127 N11 O4 -","- C222 H254 N22 O8 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1788","0.1249","","","0.311","0.3375","","","","","","1.818","","","","has coordinates,has disorder","276592","2022-07-06","07:55:18",""
"1567077","17.2251","0.0004","23.1997","0.0007","28.8441","0.0008","90","","90","","90","","11526.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H121 B4 F8 N11 O5 -","- C109 H121 B4 F8 N11 O5 -","- C436 H484 B16 F32 N44 O20 -","4","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.0994","0.0823","","","0.2307","0.2518","","","","","","1.002","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567078","38.9356","0.001","18.8132","0.0004","29.4619","0.0007","90","","90","","90","","21580.9","0.9","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C111 H129 B2 Cl4 F4 N11 O5 -","- C111 H129 B2 Cl4 F4 N11 O5 -","- C888 H1032 B16 Cl32 F32 N88 O40 -","8","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1328","0.1029","","","0.3092","0.3439","","","","","","1.34","","","","has coordinates","276592","2022-07-06","07:55:19",""
"1567079","12.9759","0.0005","17.3","0.0006","23.1532","0.0008","82.59","0.002","81.602","0.002","76.517","0.002","4975.7","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H104 B3 F6 N11 -","- C104 H104 B3 F6 N11 -","- C208 H208 B6 F12 N22 -","2","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.1316","0.0881","","","0.24","0.2826","","","","","","1.056","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567080","8.465","0.0004","16.1068","0.0008","13.6527","0.0006","90","","95.327","0.002","90","","1853.43","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 B2 N4 O4 -","- C38 H60 B2 N4 O4 -","- C76 H120 B4 N8 O8 -","2","0.5","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","","0.71073","MoKα","","0.0401","0.0359","","","0.0929","0.0963","","","","","","1.06","","","","has coordinates","277093","2022-08-06","11:38:26",""
"1567081","13.3858","0.0002","14.2988","0.0002","13.1709","0.0002","90","","109.65","0.002","90","","2374.11","0.07","100","2","99.97","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H36 B I N4 O2 -","- C20 H36 B I N4 O2 -","- C80 H144 B4 I4 N16 O8 -","4","1","","Kuehn, Laura; Zapf, Ludwig; Werner, Luis; Stang, Martin; Würtemberger-Pietsch, Sabrina; Krummenacher, Ivo; Braunschweig, Holger; Lacôte, Emmanuel; Marder, Todd B.; Radius, Udo","NHC induced radical formation <i>via</i> homolytic cleavage of B-B bonds and its role in organic reactions.","Chemical science","2022","13","28","8321","8333","10.1039/d2sc02096c","","x-ray","1.54184","CuKα","","0.0422","0.0367","","","0.0946","0.1018","","","","","","1.09","","","","has coordinates,has disorder","277093","2022-08-06","11:38:29",""
"1567082","23.0488","0.0009","8.1149","0.0003","18.3223","0.0007","90","","104.454","0.001","90","","3318.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","TK4077","Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","IUCrData","2022","7","6","","","10.1107/S241431462200582X","","","0.71073","MoKα","","0.0625","0.0479","","","0.1484","0.1602","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","275904","2022-06-08","02:32:59",""
"1567083","4.3773","0.0007","13.585","0.002","14.057","0.003","90","","90","","90","","835.9","0.3","200","2","200","2","","","","","","","Lancaster Synthesis","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dibromo-4-methylaniline","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","HB4398","Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali","2,6-Dibromo-4-methylaniline","IUCrData","2022","7","6","x220577","","10.1107/S2414314622005776","","x-ray","0.71073","MoKα","","0.0446","0.0299","","","0.0663","0.0723","","","","","","0.909","","","","has coordinates,has Fobs","275905","2022-06-08","02:33:26",""
"1567084","11.9522","0.0003","13.5271","0.0004","14.8191","0.0005","90","","104.592","0.003","90","","2318.65","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0534","0.041","","","0.0929","0.1015","","","","","","1.042","","","","has coordinates,has disorder","277087","2022-08-06","11:33:45",""
"1567085","9.9307","0.0003","17.6625","0.0006","22.0161","0.001","90","","90","","90","","3861.6","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H72 Cr2 Li4 O4 -","- C32 H72 Cr2 Li4 O4 -","- C128 H288 Cr8 Li16 O16 -","4","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0981","0.0619","","","0.1525","0.1775","","","","","","1.062","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567086","9.3625","0.0003","12.7925","0.0003","19.2108","0.0005","90","","96.406","0.003","90","","2286.51","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0583","0.0467","","","0.1067","0.1121","","","","","","1.115","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567087","13.984","0.003","14.07","0.004","14.277","0.004","61.576","0.005","82.569","0.006","62.486","0.005","2176.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H60 Cl2 N2 O4 S2 -","- C45 H60 Cl2 N2 O4 S2 -","- C90 H120 Cl4 N4 O8 S4 -","2","1","","Ning, Chao; Rui, Kang-Hua; Wei, Yin; Shi, Min","Rh(i)-catalyzed dimerization of ene-vinylidenecyclopropanes for the construction of spiro[4,5]decanes and mechanistic studies","Chemical Science","2022","13","24","7310","7317","10.1039/D1SC06986A","","","0.71073","MoKα","","0.0985","0.0731","","","0.1976","0.2208","","","","","","1.016","","","","has coordinates","276594","2022-07-06","07:55:53",""
"1567088","8.9639","0.0003","11.1228","0.0003","13.259","0.0004","90","","90","","90","","1321.97","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl I O2 -","- C13 H14 Cl I O2 -","- C52 H56 Cl4 I4 O8 -","4","1","","Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N.","Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine","Chemical Science","2022","13","24","7318","7324","10.1039/D2SC01587K","","x-ray","0.71073","MoKα","","0.0362","0.0326","","","0.0608","0.0623","","","","","","1.043","","","","has coordinates","276590","2022-07-06","07:54:28",""
"1567089","21.7236","0.0019","13.8308","0.0011","10.9428","0.0008","90","","90","","90","","3287.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","(Z)-1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-1-one","","- C17 H23 B O3 -","- C17 H23 B O3 -","- C136 H184 B8 O24 -","8","1","","Cheng, Tairan; Liu, Boxiang; Wu, Rui; Zhu, Shifa","Cu-Catalyzed Carboboration of Acetylene with Michael Acceptors","Chemical Science","2022","","","","","10.1039/D2SC02306G","","x-ray","0.71073","MoKα","","0.0762","0.0543","","","0.1258","0.1415","","","","","","1.047","","","","has coordinates","275929","2022-06-08","22:16:49",""
"1567090","21.57","0.003","21.57","0.003","6.7","0.0013","90","","90","","90","","3117.3","0.9","293","2","293","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C12 H6 Ga O5 -","- C12 H6 Ga O5 -","- C96 H48 Ga8 O40 -","8","0.5","","Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao","How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks","IUCrJ","2022","9","4","","","10.1107/S2052252522005632","","","0.0251","","","0.2065","0.188","","","0.4609","0.4714","","","","","","1.71","","","","has coordinates","275938","2022-06-09","02:12:41",""
"1567091","11.9424","0.0004","24.7899","0.0009","22.9964","0.0009","90","","95.974","0.001","90","","6771.1","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(NMes)(N{Dipp}TMS)2]","","- C57 H99 Fe K N5 O6 Si2 -","- C57 H99 Fe K N5 O6 Si2 -","- C228 H396 Fe4 K4 N20 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0571","0.0445","","","0.1018","0.1072","","","","","","1.047","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567092","19.2646","0.0007","16.7587","0.0007","24.952","0.0011","90","","90","","90","","8055.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Fe(NMes)(N{Dipp}TMS)2]","","- C39 H63 Fe N3 Si2 -","- C39 H63 Fe N3 Si2 -","- C312 H504 Fe8 N24 Si16 -","8","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0651","0.0464","","","0.0897","0.0953","","","","","","1.042","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567093","18.281","0.0008","14.0555","0.0006","22.1239","0.0009","90","","106.298","0.001","90","","5456.3","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","K{crypt}[Fe(N{Dipp}TMS)2]","","- C48 H88 Fe K N4 O6 Si2 -","- C48 H88 Fe K N4 O6 Si2 -","- C192 H352 Fe4 K4 N16 O24 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0548","0.0422","","","0.0955","0.1021","","","","","","1.027","","","","has coordinates,has disorder","277101","2022-08-06","11:43:13",""
"1567094","13.8538","0.0008","24.6616","0.0014","23.5229","0.0013","90","","90.755","0.002","90","","8036.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","K{crypt}[Fe(S2CNMes)(N{Dipp}TMS)2]","","- C58 H99 Fe K N5 O6 S2 Si2 -","- C58 H99 Fe K N5 O6 S2 Si2 -","- C232 H396 Fe4 K4 N20 O24 S8 Si8 -","4","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.078","0.0566","","","0.1235","0.13","","","","","","1.048","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567095","12.807","","13.731","","20.965","","90","","110.6","","90","","3451.02","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 N2 O9 S4 -","- C35 H30 N2 O9 S4 -","- C140 H120 N8 O36 S16 -","4","1","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","","0.71073","MoKα","","0.0743","0.055","","","0.1255","0.1402","","","","","","1.038","","","","has coordinates","277102","2022-08-06","11:43:22",""
"1567096","7.6142","0.0004","7.1461","0.0004","12.6645","0.0007","90","","106.526","0.006","90","","660.63","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H7.33 Br2 O0.67 -","- C8 H7.33333 Br2 O0.666667 -","- C24 H22 Br6 O2 -","3","0.75","","Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian","Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.","Chemical science","2022","13","26","7886","7891","10.1039/d2sc00765g","","x-ray","1.54184","CuKα","","0.0801","0.0747","","","0.192","0.2058","","","","","","1.076","","","","has coordinates,has disorder","277102","2022-08-06","11:43:23",""
"1567097","6.1025","0.0003","8.5817","0.0005","14.6868","0.0009","86.201","0.005","80.086","0.005","76.138","0.005","735.34","0.07","391","300","391","300","","","","","","","","4","P -1","-P 1","2","","'4-phenyl-2,5-di(pyridin-2-yl)oxazole'","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C38 H26 N6 O2 -","2","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0601","0.0483","","","0.136","0.1458","","","","","","1.092","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567098","12.0851","0.0004","7.7428","0.0003","19.0267","0.0008","90","","102.465","0.004","90","","1738.41","0.12","297","7","297","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'2-(pyridin-2-yl)-4-(p-tolyl)-5-(2,4,6-trifluorophenyl)oxazole'","","- C21 H13 F3 N2 O -","- C21 H13 F3 N2 O -","- C84 H52 F12 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0543","0.0404","","","0.1078","0.1166","","","","","","1.082","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567099","21.1606","0.001","7.1694","0.0003","25.5604","0.0014","90","","110.862","0.006","90","","3623.5","0.3","201","130","201","130","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'2,5-bis(6-methylpyridin-2-yl)-4-(p-tolyl)oxazole'","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0812","0.0548","","","0.15","0.1725","","","","","","1.086","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567100","5.7112","0.0016","23.177","0.008","10.865","0.004","90","","90.891","0.013","90","","1438","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","'5-(4-chlorophenyl)-4-cyclopropyl-2-(pyridin-2-yl)oxazole'","","- C17 H13 Cl N2 O -","- C17 H13 Cl N2 O -","- C68 H52 Cl4 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0525","0.0471","","","0.1145","0.1183","","","","","","1.094","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567101","11.3712","0.0005","9.205","0.0004","19.1767","0.0009","90","","104.402","0.005","90","","1944.18","0.16","296.9","0.3","296.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'4-phenyl-2,5-di(quinolin-2-yl)oxazole'","","- C27 H17 N3 O -","- C27 H17 N3 O -","- C108 H68 N12 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0589","0.0428","","","0.113","0.1236","","","","","","1.088","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567102","7.4535","0.0011","11.5915","0.0016","18.893","0.003","90","","90","","90","","1632.3","0.4","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'5-phenyl-2-(pyridin-2-yl)-4-(p-tolyl)oxazole'","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0772","0.0574","","","0.135","0.1461","","","","","","1.067","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567103","14.2647","0.0001","52.2312","0.001","19.5113","0.0003","90","","91.295","0.001","90","","14533.4","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C174 H177.6 Cl24 N24 O4.46 Pd12 -","- C174 H177.6 Cl24 N24 O4.46 Pd12 -","- C348 H355.2 Cl48 N48 O8.92 Pd24 -","2","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54187","CuKα","","0.1287","0.1006","","","0.2805","0.3087","","","","","","1.095","","","","has coordinates,has disorder","276005","2022-06-13","22:11:24",""
"1567104","19.5405","0.0002","51.9315","0.0005","14.3152","0.0001","90","","90.587","0.001","90","","14525.8","0.2","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88.2 H87.46 Cl12 N13.37 O2.7 Pd6 S0.37 -","- C88.196 H87.464 Cl12 N13.366 O2.696 Pd6 S0.366 -","- C352.784 H349.856 Cl48 N53.464 O10.784 Pd24 S1.464 -","4","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54184","CuKα","","0.1377","0.1209","","","0.3815","0.3983","","","","","","1.665","","","","has coordinates,has disorder","276005","2022-06-13","22:11:24",""
"1567105","19.4857","0.0002","51.838","0.0007","14.3167","0.0001","90","","90.706","0.001","90","","14460.2","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89.25 H90.25 Cl21.75 N13 O2 Pd6 -","- C89.25 H90.25 Cl21.75 N13 O2 Pd6 -","- C357 H361 Cl87 N52 O8 Pd24 -","4","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","","1.54187","CuKα","","0.1527","0.1322","","","0.3489","0.3637","","","","","","1.084","","","","has coordinates,has disorder","276005","2022-06-13","22:11:25",""
"1567106","19.6017","0.0001","52.3627","0.0004","14.3397","0.0001","90","","90.6","0.001","90","","14717.4","0.17","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H87 Cl12 N13 O Pd6 -","- C86 H87 Cl12 N13 O Pd6 -","- C344 H348 Cl48 N52 O4 Pd24 -","4","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54184","CuKα","","0.1213","0.108","","","0.3449","0.3596","","","","","","1.546","","","","has coordinates","276005","2022-06-13","22:11:25",""
"1567107","14.3205","0.0001","50.1973","0.0012","19.4935","0.0003","90","","91.679","0.001","90","","14006.9","0.4","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C179.1 H185.56 Cl24 N25 O2 Pd12 -","- C179.1 H185.56 Cl24 N25 O2 Pd12 -","- C358.2 H371.12 Cl48 N50 O4 Pd24 -","2","1","","He, Wei; Tashiro, Shohei; Shionoya, Mitsuhiko","Highly selective acid-catalyzed olefin isomerization of limonene to terpinolene by kinetic suppression of overreactions in a confined space of porous metal–macrocycle frameworks","Chemical Science","2022","","","","","10.1039/D2SC01561G","","x-ray","1.54187","CuKα","","0.1966","0.1752","","","0.4605","0.4764","","","","","","1.795","","","","has coordinates,has disorder","276005","2022-06-13","22:11:25",""
"1567108","14.0332","0.0006","15.3545","0.0007","22.418","0.0009","82.805","0.004","84.35","0.003","88.156","0.004","4768.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Ag13 F18 N6 O18 S6 -","- C42 H36 Ag13 F18 N6 O18 S6 -","- C84 H72 Ag26 F36 N12 O36 S12 -","2","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.1665","0.1234","","","0.3387","0.3901","","","","","","1.195","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567109","6.8729","0.0007","8.3071","0.0009","8.8774","0.0008","77.25","0.009","88.991","0.008","75.454","0.009","478.12","0.09","172.97","0.1","172.97","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","- C14 H14 F6 N2 O6 S2 -","1","0.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0633","0.0565","","","0.1496","0.1583","","","","","","1.037","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567110","13.6223","0.0002","29.4112","0.0004","17.5734","0.0003","90","","111.122","0.002","90","","6567.72","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Ag F9 N16 O9 S3 -","- C51 H50 Ag F9 N16 O9 S3 -","- C204 H200 Ag4 F36 N64 O36 S12 -","4","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0631","0.0567","","","0.1602","0.1672","","","","","","1.034","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567111","38.1353","0.0005","21.9159","0.0004","25.6721","0.0003","90","","129.97","0.001","90","","16443.4","0.5","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H55 Ag5 F9 N17 O9 S3 -","- C62 H55 Ag5 F9 N17 O9 S3 -","- C496 H440 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54178","CuKα","","0.056","0.0531","","","0.1625","0.1656","","","","","","1.061","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567112","14.8014","0.0004","22.3158","0.0005","24.83","0.0006","84.932","0.002","76.949","0.002","73.121","0.002","7643.2","0.3","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C59 H57 Ag5 F9 N17 O9 S3 -","- C59 H57 Ag5 F9 N17 O9 S3 -","- C236 H228 Ag20 F36 N68 O36 S12 -","4","2","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0878","0.0591","","","0.1229","0.1376","","","","","","1.02","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567113","25.7535","0.0005","24.5293","0.0006","24.9163","0.0004","90","","91.174","0.002","90","","15736.7","0.6","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H53 Ag5 F9 N17 O9 S3 -","- C57 H53 Ag5 F9 N17 O9 S3 -","- C456 H424 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","1.54184","CuKα","","0.0918","0.0728","","","0.1979","0.2182","","","","","","1.031","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567114","9.0344","0.0003","12.927","0.0004","15.428","0.0005","85.714","0.002","87.099","0.003","87.475","0.003","1792.99","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 N2 O6 S2 -","- C18 H22 F6 N2 O6 S2 -","- C54 H66 F18 N6 O18 S6 -","3","1.5","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","x-ray","1.54184","CuKα","","0.0767","0.0632","","","0.1682","0.1791","","","","","","1.0569","","","","has coordinates","277099","2022-08-06","11:41:47",""
"1567115","16.1557","0.0009","30.2077","0.0017","58.888","0.004","90","","90","","90","","28739","3","296","2","296.15","","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C72 H48 Ag13 F18 N6 O18 S6 -","- C72 H48 Ag13 F18 N6 O18 S6 -","- C576 H384 Ag104 F144 N48 O144 S48 -","8","0.25","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","0.71073","MoKα","","0.1873","0.134","","","0.3601","0.4086","","","","","","1.078","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567116","12.9189","0.0001","12.9189","0.0001","29.4056","0.0001","90","","90","","90","","4907.74","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H26 N2 O9 S -","- C25.5 H26 N2 O9 S -","- C204 H208 N16 O72 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0482","0.0479","","0.1358","0.1354","0.1298","","","","","","0.9986","","","","has coordinates,has disorder","276036","2022-06-15","02:04:05",""
"1567117","12.917","0.0001","12.917","0.0001","29.3859","0.0002","90","","90","","90","","4903","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O18 S2 -","- C51 H53 N4 O18 S2 -","- C204 H212 N16 O72 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0401","0.0389","","0.1022","0.1011","0.1022","","","","","","1.0044","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567118","12.9076","0.0001","12.9076","0.0001","29.467","0.0002","90","","90","","90","","4909.38","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H25.5 N2 O8.5 S -","- C25.5 H25.5 N2 O8.5 S -","- C204 H204 N16 O68 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0513","0.0504","","0.1456","0.1444","0.1456","","","","","","1.0266","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567119","12.8885","0.0001","12.8885","0.0001","29.5227","0.0001","90","","90","","90","","4904.12","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25.5 H28 N2 O7.5 S -","- C25.5 H28 N2 O7.5 S -","- C204 H224 N16 O60 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0332","0.0323","","0.0459","0.0453","0.0459","","","","","","1.1032","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567120","12.8625","0.0001","12.8625","0.0001","29.5499","0.0001","90","","90","","90","","4888.85","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C25 H26.5 Br0.5 N2 O7 S -","- C25 H26.5 Br0.5 N2 O7 S -","- C200 H212 Br4 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0747","0.0735","","0.2147","0.2128","0.2147","","","","","","0.9938","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567121","12.8788","0.0001","12.8788","0.0001","29.3261","0.0001","90","","90","","90","","4864.13","0.06","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33 -","- C33.3333 H35.3333 Cl0.666667 N2.66667 O9.33333 S1.33333 -","- C200 H212 Cl4 N16 O56 S8 -","6","0.75","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.033","0.0324","","0.0895","0.0889","0.0895","","","","","","0.9885","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567122","12.8425","0.0001","12.8425","0.0001","29.4534","0.0002","90","","90","","90","","4857.74","0.06","119.97","0.1","119.97","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H48 F6 N4 O14 S2 -","- C50 H48 F6 N4 O14 S2 -","- C200 H192 F24 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","x-ray","1.54184","CuKα","","0.0228","0.0226","","","0.0716","0.0718","","","","1.67","1.67","1.66","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567123","12.9104","0.0001","12.9104","0.0001","29.4495","0.0001","90","","90","","90","","4908.6","0.06","95","","95","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 I N4 O14 S2 -","- C50 H53 I N4 O14 S2 -","- C200 H212 I4 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0358","0.0356","","0.0794","0.0792","0.0794","","","","","","0.9968","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567124","13.2792","0.0001","13.2792","0.0001","28.2737","0.0001","90","","90","","90","","4985.7","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C53 H60 N4 O14 S2 -","- C53 H60 N4 O14 S2 -","- C212 H240 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0224","0.0223","","0.0603","0.0601","0.0603","","","","","","0.8635","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567125","12.9696","0.0001","12.9696","0.0001","29.2499","0.0001","90","","90","","90","","4920.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H29 N2 O7 S -","- C26 H29 N2 O7 S -","- C208 H232 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0361","0.036","","0.0909","0.0908","0.0909","","","","","","1.1151","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567126","12.8876","0.0001","12.8876","0.0001","29.4547","0.0002","90","","90","","90","","4892.14","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H52 N6 O15 S2 -","- C50 H52 N6 O15 S2 -","- C200 H208 N24 O60 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0393","0.0389","","0.106","0.1056","0.106","","","","","","1.0243","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567127","12.9268","0.0001","12.9268","0.0001","29.3204","0.0002","90","","90","","90","","4899.5","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H53 N5 O16 S2 -","- C50 H53 N5 O16 S2 -","- C200 H212 N20 O64 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.54184","CuKα","","0.0374","0.0362","","0.0932","0.0922","0.0932","","","","","","0.9999","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567128","13.185","0.0001","13.185","0.0001","28.593","0.0001","90","","90","","90","","4970.73","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H30.5 N2 O7 S -","- C26 H30.5 N2 O7 S -","- C208 H244 N16 O56 S8 -","8","1","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0277","0.0274","","0.0598","0.0595","0.0598","","","","","","0.93","","","","has coordinates","276036","2022-06-15","02:04:06",""
"1567129","12.9133","0.0001","12.9133","0.0001","29.3418","0.0001","90","","90","","90","","4892.84","0.06","120","","120","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H53 N4 O17 S2 -","- C51 H53 N4 O17 S2 -","- C204 H212 N16 O68 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0302","0.0301","","0.0755","0.0754","0.0755","","","","","","1.0911","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567130","12.9492","0.0001","12.9492","0.0001","29.6806","0.0003","90","","90","","90","","4976.9","0.07","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C51 H54 F3 N4 O14 S2 -","- C51 H54 F3 N4 O14 S2 -","- C204 H216 F12 N16 O56 S8 -","4","0.5","ED5027","Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav","Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms","IUCrJ","2022","9","4","","","10.1107/S2052252522005577","","","1.5418","CuKα","","0.0672","0.067","","0.1606","0.1605","0.1606","","","","","","0.974","","","","has coordinates","276036","2022-06-15","02:04:07",""
"1567131","14.2023","0.0002","26.2964","0.0004","12.15252","0.00017","90","","94.3571","0.0013","90","","4525.48","0.11","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H13 N10 Pd7 Sn4 -","- C72 H114 N10 Pd7 Sn4 -","- C144 H228 N20 Pd14 Sn8 -","2","0.5","","Kojima, Naoya; Kato, Misaki; Sunada, Yusuke","Discrete palladium clusters that consist of two mutually bisecting perpendicular planes","Chemical Science","2022","","","","","10.1039/D2SC02302D","","","0.71073","MoKα","","0.0275","0.0231","","","0.0551","0.0571","","","","","","1.049","","","","has coordinates","276052","2022-06-15","22:12:28",""
"1567132","13.6964","0.0004","14.4844","0.0004","14.7143","0.0005","73.065","0.003","62.695","0.003","82.678","0.002","2481.29","0.15","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H90 Ge6 N10 O2 Pd8 -","- C74 H90 Ge6 N10 O2 Pd8 -","- C74 H90 Ge6 N10 O2 Pd8 -","1","0.5","","Kojima, Naoya; Kato, Misaki; Sunada, Yusuke","Discrete palladium clusters that consist of two mutually bisecting perpendicular planes","Chemical Science","2022","","","","","10.1039/D2SC02302D","","","0.71075","MoKα","","0.0559","0.0388","","","0.0955","0.102","","","","","","1.031","","","","has coordinates","276052","2022-06-15","22:12:29",""
"1567133","8.1149","0.0002","9.1915","0.0003","10.8628","0.0004","68.232","0.003","78.44","0.002","81.264","0.002","734.51","0.04","300.58","0.1","300.58","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","1.54184","CuKα","","0.044","0.0418","","","0.1138","0.1156","","","","","","1.059","","","","has coordinates","277105","2022-08-06","11:44:06",""
"1567134","15.0187","0.0007","14.1539","0.0005","30.0583","0.0011","90","","90","","90","","6389.6","0.4","275","4","275","4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32 Co N5 O4 Sn -","- C31 H34 Co N5 O4 Sn -","- C248 H272 Co8 N40 O32 Sn8 -","8","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","0.71073","MoKα","","0.0733","0.0363","","","0.0759","0.0861","","","","","","1.035","","","","has coordinates,has disorder","277105","2022-08-06","11:44:06",""
"1567135","14.4411","0.0001","25.5519","0.0002","18.9046","0.0001","90","","101.771","0.001","90","","6829.06","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ge9{Si(SiMe3)}3Rh(PMe3)","","- C30 H90 Ge9 P Rh Si12 -","- C30 H90 Ge9 P Rh Si12 -","- C120 H360 Ge36 P4 Rh4 Si48 -","4","1","","Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.","Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2","Chemical Science","2022","","","","","10.1039/D2SC02552C","","","1.54184","CuKα","","0.0456","0.0393","","","0.0975","0.102","","","","","","1.019","","","","has coordinates,has disorder","276054","2022-06-15","22:15:11",""
"1567136","15.0839","0.0002","19.3502","0.0003","21.6497","0.0004","106.313","0.001","96.757","0.001","92.771","0.001","6000.52","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[Ge9{Si(SiMe3)}3RhH(PPh3)][B{C6H3(CF3)2}4]*1.5hex","","- C86 H130 B F24 Ge9 P Rh Si12 -","- C86 H130 B F24 Ge9 P Rh Si12 -","- C172 H260 B2 F48 Ge18 P2 Rh2 Si24 -","2","1","","Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.","Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2","Chemical Science","2022","","","","","10.1039/D2SC02552C","","","1.54184","CuKα","","0.0402","0.0344","","","0.0894","0.0936","","","","","","1.022","","","","has coordinates,has disorder","276054","2022-06-15","22:15:12",""
"1567137","16.3622","0.0003","19.8996","0.0003","25.9438","0.0004","68.56","0.001","79.856","0.001","82.113","0.001","7715.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Ge9{Si(SiMe3)}3Rh(Me2IMe)*hex","","- C40 H107 Ge9 N2 Rh Si12 -","- C40 H107 Ge9 N2 Rh Si12 -","- C160 H428 Ge36 N8 Rh4 Si48 -","4","2","","Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.","Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2","Chemical Science","2022","","","","","10.1039/D2SC02552C","","","1.54184","CuKα","","0.0593","0.0544","","","0.1641","0.1728","","","","","","1.048","","","","has coordinates,has disorder","276054","2022-06-15","22:15:12",""
"1567138","17.9023","0.0005","13.8042","0.0005","44.4206","0.0012","90","","96.969","0.003","90","","10896.4","0.6","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[Ge9{Si(SiMe3)}3RhH(H)2W(Cp)2][B{C6H3(CF3)2}4]*Et2O","","- C73 H116 B F24 Ge9 O Rh Si12 W -","- C73 H116 B F24 Ge9 O Rh Si12 W -","- C292 H464 B4 F96 Ge36 O4 Rh4 Si48 W4 -","4","1","","Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.","Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2","Chemical Science","2022","","","","","10.1039/D2SC02552C","","","1.54184","CuKα","","0.091","0.0647","","","0.1656","0.1838","","","","","","1.058","","","","has coordinates,has disorder","276054","2022-06-15","22:15:12",""
"1567139","14.2783","0.0001","25.643","0.0001","19.8461","0.0001","90","","101.575","0.001","90","","7118.64","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ge9{Si(SiMe3)}3RhH2W(Cp)2","","- C37 H93 Ge9 Rh Si12 W -","- C37 H93 Ge9 Rh Si12 W -","- C148 H372 Ge36 Rh4 Si48 W4 -","4","1","","Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M.","Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2","Chemical Science","2022","","","","","10.1039/D2SC02552C","","","1.54184","CuKα","","0.0252","0.0244","","","0.0623","0.0629","","","","","","1.054","","","","has coordinates,has disorder","276054","2022-06-15","22:15:13",""
"1567140","28.3729","0.0011","6.5464","0.0002","7.3531","0.0003","90","","97.1","0.004","90","","1355.29","0.09","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H12 N4 Ni O4 S -","- C12 H12 N4 Ni O4 S -","- C48 H48 N16 Ni4 O16 S4 -","4","1","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.0461","0.0461","","0.0604","0.0604","","","","5.06","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1567141","23.012","0.003","6.0848","0.0009","10.6386","0.0013","90","","91.194","0.009","90","","1489.3","0.3","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 N4 Ni O4 S -","- C12 H16 N4 Ni O4 S -","- C48 H64 N16 Ni4 O16 S4 -","4","0.5","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.0555","0.0555","","0.0656","0.0656","","","","3.7","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1567142","6.476","0.0006","7.2221","0.0007","16.615","0.002","90","","90","","90","","777.09","0.14","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 N2 Ni O4 S -","- C6 H8 N2 Ni O4 S -","- C24 H32 N8 Ni4 O16 S4 -","4","0.25","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.027","0.027","","0.0359","0.0359","","","","3.18","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1567143","10.087","0.003","24.117","0.007","10.137","0.003","90","","119.385","0.008","90","","2148.7","1.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-6-(4-Bromobenzylidene)-4-((4-bromophenyl)ethynyl)-4-cyclopropyl-5-oxaspiro[2.4]heptan-7-one","","- C24 H18 Br2 O2 -","- C24 H18 Br2 O2 -","- C96 H72 Br8 O8 -","4","1","","Samultceva, Sofia O.; Dvorko, Marina Yu.; Shabalin, Dmitrii A.; Ushakov, Igor’ A.; Vashchenko, Alexander V.; Schmidt, Elena Yu.; Trofimov, Boris A.","Regio- and stereoselective base-catalyzed assembly of 6-methylene-5-oxaspiro[2.4]heptanones from alkynyl cyclopropyl ketones","Organic & Biomolecular Chemistry","2022","20","26","5325","5333","10.1039/D2OB00854H","","","0.71073","MoKα","","0.1971","0.0694","","","0.1007","0.127","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1567144","19.3389","0.0007","18.1968","0.0007","34.039","0.001","90","","90","","90","","11978.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","","- C32 H72 Cl12 I2 Nb6 O12 -","- C32 H72 Cl12 I2 Nb6 O12 -","- C256 H576 Cl96 I16 Nb48 O96 -","8","1","WM4165","Schröder, Florian; Köckerling, Martin","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","IUCrData","2022","7","6","x220618","","10.1107/S2414314622006186","","","0.71073","MoKα","","0.0804","0.0512","","","0.1167","0.1322","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276081","2022-06-17","02:05:17",""
"1567145","17.2901","0.0012","17.3047","0.0011","29.001","0.002","94.002","0.002","97.603","0.003","119.287","0.002","7410.1","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C102 H148 Ag16 Cl F15 N4 O16 S9 -","- C204 H296 Ag32 Cl2 F30 N8 O32 S18 -","2","1","","Das, Anish Kumar; Biswas, Sourav; Manna, Surya Sekhar; Pathak, Biswarup; Mandal, Sukhendu","An atomically precise silver nanocluster for artificial light-harvesting system through supramolecular functionalization.","Chemical science","2022","13","28","8355","8364","10.1039/d2sc02786k","","","0.71073","MoKα","","0.2174","0.1059","","","0.2692","0.3334","","","","","","1.018","","","","has coordinates,has disorder","277094","2022-08-06","11:38:44",""
"1567146","17.533","0.0004","8.1217","0.0001","21.3907","0.0005","90","","111.63","0.003","90","","2831.5","0.12","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cl Ir N4 O P2 -","- C23 H42 Cl Ir N4 O P2 -","- C92 H168 Cl4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0172","0.015","","","0.0335","0.034","","","","","","1.032","","","","has coordinates","277104","2022-08-06","11:43:55",""
"1567147","17.9499","0.0006","8.1504","0.0002","21.5003","0.0008","90","","110.968","0.004","90","","2937.18","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 I Ir N4 O P2 -","- C23 H42 I Ir N4 O P2 -","- C92 H168 I4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0267","0.0216","","","0.0466","0.0478","","","","","","1.042","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1567148","11.9445","0.0001","10.1985","0.0001","25.8721","0.0003","90","","94.016","0.001","90","","3143.9","0.05","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Cl3 Ir N4 O P2 -","- C25 H44 Cl3 Ir N4 O P2 -","- C100 H176 Cl12 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0182","0.0163","","","0.0335","0.034","","","","","","1.074","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567149","11.8995","0.0002","16.0723","0.0002","17.0807","0.0002","67.203","0.001","75.219","0.001","89.306","0.001","2898.06","0.07","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H89 F2 Ir2 N9 O3 P4 -","- C48 H89 F2 Ir2 N9 O3 P4 -","- C96 H178 F4 Ir4 N18 O6 P8 -","2","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0508","0.0461","","","0.1235","0.1246","","","","","","1.358","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567150","13.2443","0.0002","16.1281","0.0003","16.2491","0.0003","77.427","0.001","82.219","0.001","84.357","0.001","3347.95","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H48 F6 Ir N4 O P3 -","- C25 H48 F6 Ir N4 O P3 -","- C100 H192 F24 Ir4 N16 O4 P12 -","4","2","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0933","0.0649","","","0.1615","0.1766","","","","","","1.16","","","","has coordinates,has disorder","277104","2022-08-06","11:43:56",""
"1567151","17.7005","0.0004","8.1175","0.0001","21.384","0.0004","90","","111.189","0.002","90","","2864.81","0.1","100","","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Br Ir N4 O P2 -","- C23 H42 Br Ir N4 O P2 -","- C92 H168 Br4 Ir4 N16 O4 P8 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","1.54184","CuKα","","0.0437","0.0397","","","0.112","0.1145","","","","","","1.121","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567152","12.0735","0.0002","10.6615","0.0002","23.5954","0.0004","90","","92.963","0.002","90","","3033.18","0.09","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 F6 Ir N4 O P3 -","- C23 H42 F6 Ir N4 O P3 -","- C92 H168 F24 Ir4 N16 O4 P12 -","4","1","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.028","0.0206","","","0.0452","0.0467","","","","","","1.081","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567153","26.0183","0.0001","23.433","0.0001","31.3406","0.0002","90","","90","","90","","19107.9","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H45.5 Ir N5.5 O P2 -","- C26 H45.5 Ir N5.5 O P2 -","- C624 H1092 Ir24 N132 O24 P48 -","24","3","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0449","0.0394","","","0.0979","0.0996","","","","","","1.265","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567154","15.6815","0.0006","15.1285","0.0005","48.3672","0.0019","90","","98.426","0.001","90","","11350.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ag6(3S)4(OTf)6.Ag6(3S)4(CCtBu)4.3CH3CN.H2O","","","- C60 H84 Ag12 F18 N3 O19 S30 -","- C60 H84 Ag12 F18 N3 O19 S30 -","- C240 H336 Ag48 F72 N12 O76 S120 -","4","1","","Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan","Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane","Nanoscale","2022","","","","","10.1039/D2NR02411J","","","0.71073","MoKα","","0.0727","0.0534","","","0.0978","0.104","","","","","","1.032","","","","has coordinates,has disorder","276142","2022-06-22","00:03:23",""
"1567155","26.1584","0.0005","10.0265","0.0001","19.8095","0.0004","90","","128.008","0.003","90","","4093.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ag6(3S)4(CF3CO2)4","","","- C20 H24 Ag6 F12 O8 S12 -","- C20 H24 Ag6 F12 O8 S12 -","- C80 H96 Ag24 F48 O32 S48 -","4","0.5","","Cheng, Xun; Zhong, Rui-Ru; Yuan, Shang-Fu; Guan, Zong-Jie; Liu, Kuan-Guan","Compact Accumulation of Superatomic Silver Nanoclusters with Octahedral Ag6 Core Ligated by Trithiane","Nanoscale","2022","","","","","10.1039/D2NR02411J","","","1.54178","CuKα","","0.0355","0.0349","","","0.0916","0.092","","","","","","1.057","","","","has coordinates,has disorder","276142","2022-06-22","00:03:24",""
"1567156","9.4559","0.0003","16.0249","0.0005","16.2168","0.0005","90","","90","","90","","2457.33","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C120 H108 N4 O20 S4 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0371","0.0355","","","0.0887","0.0906","","","","","","1.089","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567157","9.6145","0.0002","18.9746","0.0004","26.9615","0.0006","90","","90","","90","","4918.62","0.18","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H50 N2 O8 S2 -","- C60 H50 N2 O8 S2 -","- C240 H200 N8 O32 S8 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0333","0.0319","","","0.079","0.0812","","","","","","1.039","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567158","4.85556","0.00006","6.47166","0.00007","19.94656","0.00013","92.1464","0.0013","95.834","0.002","104.227","0.0012","603.153","0.011","327","","327","","","","","","","","","4","P -1","-P 1","2","","NDI-C6","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","1","0.5","","de Oliveira Martins, Inês; Marin, Francesco; Modena, Enrico; Maini, Lucia","On the crystal forms of NDI-C6: annealing and deposition procedures to access elusive polymorphs.","Faraday discussions","2022","235","0","490","507","10.1039/d1fd00100k","powder diffraction","x-ray","0.999961","synchrotron","","","","","","","","","0.0035","2.80799","","","","","","","has coordinates","277110","2022-08-06","11:48:59",""
"1567159","9.7214","0.0018","12.92","0.002","17.269","0.003","77.514","0.005","83.542","0.006","79.876","0.006","2078.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H37 Co N5 P -","- C56 H37 Co N5 P -","- C112 H74 Co2 N10 P2 -","2","1","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1912","0.081","","","0.1323","0.1739","","","","","","1.03","","","","has coordinates","277649","2022-09-06","09:44:34",""
"1567160","14.3899","0.0007","16.2551","0.0008","19.6213","0.0009","91.265","0.002","108.634","0.002","94.679","0.002","4328.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H36 Co N6 P -","- C57 H36 Co N6 P -","- C228 H144 Co4 N24 P4 -","4","2","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1385","0.0812","","","0.1866","0.2263","","","","","","1.018","","","","has coordinates,has disorder","277649","2022-09-06","09:45:17",""
"1567161","9.9824","0.0003","23.4742","0.0009","13.6413","0.0006","90","","94.6068","0.0017","90","","3186.2","0.2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","RuBMP B2S","","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C29 H29 B2 Cl2 N2 P Ru S3 -","- C116 H116 B8 Cl8 N8 P4 Ru4 S12 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0508","0.0338","","","0.0659","0.074","","","","","","1.013","","","","has coordinates","277091","2022-08-06","11:38:02",""
"1567162","17.2497","0.0013","15.0068","0.001","19.7663","0.0014","90","","115.089","0.002","90","","4634","0.6","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 B2 N2 P Ru S5 -","- C32 H45 B2 N2 P Ru S5 -","- C128 H180 B8 N8 P4 Ru4 S20 -","4","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","x-ray","0.71073","MoKα","","0.0472","0.0356","","","0.0775","0.0872","","","","","","1.136","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567163","8.1421","0.0016","9.038","0.0016","11.991","0.002","91.746","0.005","95.358","0.006","91.618","0.005","877.7","0.3","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","- C33 H36 B2 Cl2 N2 Ru S4 -","1","0.5","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.0565","0.0486","","","0.1137","0.1206","","","","","","1.129","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567164","43.162","0.006","11.6075","0.0014","17.077","0.002","90","","94.107","0.005","90","","8533.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl2 N3 P Ru S6 -","- C40 H47 Cl2 N3 P Ru S6 -","- C320 H376 Cl16 N24 P8 Ru8 S48 -","8","1","","Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal","Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes","Chemical Science","2022","13","29","8567","8575","10.1039/D2SC00907B","","","0.71073","MoKα","","0.1535","0.0622","","","0.119","0.1456","","","","","","0.82","","","","has coordinates,has disorder","277091","2022-08-06","11:38:02",""
"1567165","5.247","0.0002","8.2089","0.0002","28.1307","0.0009","90","","90","","90","","1211.65","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0727","0.0687","","","0.1927","0.1994","","","","","","1.112","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567166","8.796","0.0002","10.4133","0.0002","10.7857","0.0002","90","","90","","90","","987.92","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0307","0.0298","","","0.0924","0.0941","","","","","","0.877","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567167","5.9107","0.0001","13.8035","0.0003","15.3174","0.0003","90","","90","","90","","1249.72","0.04","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.048","0.0467","","","0.123","0.1242","","","","","","1.0551","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567168","8.6793","0.0001","22.7043","0.0003","11.0413","0.0001","90","","90","","90","","2175.77","0.04","298.23","0.1","298.23","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0393","0.0368","","","0.101","0.1025","","","","","","1.066","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567169","7.8803","0.0002","9.7157","0.0002","10.6212","0.0002","94.241","0.001","94.434","0.002","111.794","0.002","748.16","0.03","303.15","0.1","303.15","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 Br O5 -","- C14 H17 Br O5 -","- C28 H34 Br2 O10 -","2","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0819","0.0832","","","","","","1.068","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567170","20.8643","0.0019","4.5307","0.0004","8.748","0.0007","90","","102.292","0.004","90","","807.99","0.12","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2016z","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0496","0.0392","","","0.1093","0.117","","","","","","1.093","","","","has coordinates","276677","2022-07-06","08:38:23",""
"1567171","8.1288","0.0006","7.536","0.0006","8.551","0.0006","90","","113.285","0.002","90","","481.16","0.06","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","20090z","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0367","0.0347","","","0.0928","0.095","","","","","","1.072","","","","has coordinates","276677","2022-07-06","08:38:32",""
"1567172","25.3633","0.0017","5.2161","0.0003","8.9982","0.0004","90","","103.025","0.003","90","","1159.81","0.12","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 N2 O4 -","- C10 H20 N2 O4 -","- C40 H80 N8 O16 -","4","0.5","","Jang, Yoon-Jung; Sangroniz, Leire; Hillmyer, Marc A.","Ductile gas barrier poly(ester–amide)s derived from glycolide","Polymer Chemistry","2022","13","26","3882","3891","10.1039/D2PY00479H","","","0.71073","MoKα","","0.0551","0.0429","","","0.1093","0.1191","","","","","","1.088","","","","has coordinates","276677","2022-07-06","08:38:36",""
"1567173","8.44753","","8.44753","","8.44753","","90","","90","","90","","602.822","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276251","2022-06-24","10:18:11",""
"1567174","8.4462","","8.4462","","8.4462","","90","","90","","90","","602.538","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ni0.1 O4 Zn0.9 -","- Fe2 Ni0.1 O4 Zn0.9 -","- Fe16 Ni0.8 O32 Zn7.2 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276257","2022-06-24","14:21:55",""
"1567175","8.4447","","8.4447","","8.4447","","90","","90","","90","","602.217","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ni0.2 O4 Zn0.8 -","- Fe2 Ni0.2 O4 Zn0.8 -","- Fe16 Ni1.6 O32 Zn6.4 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276253","2022-06-24","12:41:35",""
"1567176","8.4434","","8.4434","","8.4434","","90","","90","","90","","601.938","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ni0.3 O4 Zn0.7 -","- Fe2 Ni0.3 O4 Zn0.7 -","- Fe16 Ni2.4 O32 Zn5.6 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276258","2022-06-24","14:26:02",""
"1567177","8.4422","","8.4422","","8.4422","","90","","90","","90","","601.682","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ni0.4 O4 Zn0.6 -","- Fe2 Ni0.4 O4 Zn0.6 -","- Fe16 Ni3.2 O32 Zn4.8 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276255","2022-06-24","13:34:20",""
"1567178","8.4413","","8.4413","","8.4413","","90","","90","","90","","601.489","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Ni0.5 O4 Zn0.5 -","- Fe2 Ni0.5 O4 Zn0.5 -","- Fe16 Ni4 O32 Zn4 -","8","0.0416667","","Madake, S.B.; Patil, A.R.; Pedanekar, R.S.; Narewadikar, N.A.; Thorat, J.B.; Rajpure, K.Y.","The influence of nickel substitution on the structural and gas sensing properties of sprayed ZnFe2O4 thin films","Journal of Materials Science: Materials in Electronics","2022","33","","6273","6282","10.1007/s10854-022-07802-z","","","","","","","","","","","","","","","","","","","","","has coordinates","276256","2022-06-24","13:49:42",""
"1567179","15.1207","","5.2004","","7.6325","","90","","95.5358","","90","","597.372","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 Pb S2 -","- C12 H10 O2 Pb S2 -","- C24 H20 O4 Pb2 S4 -","2","0.5","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα1","","0.0598","0.0557","","0.0637","0.0627","","","","1","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567180","7.4789","0.0007","5.2068","0.0005","17.4623","0.0016","90","","93.3828","0.0019","90","","678.82","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Pb S2 -","- C6 H4 Pb S2 -","- C24 H16 Pb4 S8 -","4","1","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα","","0.018","0.0179","","0.0218","0.0217","","","","0.88","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567182","8.9701","0.0003","13.2202","0.0005","14.0861","0.0005","99.609","0.003","103.133","0.003","107.676","0.003","1499","0.1","263","1","263","1","","","","","","","","5","P -1","-P 1","2","","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","1","0.5","WM4167","Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","IUCrData","2022","7","6","x220627","","10.1107/S2414314622006277","","x-ray","0.56083","AgKα","","0.0685","0.0402","","","0.0945","0.1012","","","","","","0.828","","","","has coordinates,has Fobs","276266","2022-06-25","01:57:05",""
"1567183","7.6531","0.0008","11.7862","0.0012","16.8371","0.0018","81.35","0.002","85.884","0.002","80.44","0.002","1478.9","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","","- C8 H4 N4 Te2 -","- C8 H4 N4 Te2 -","- C48 H24 N24 Te12 -","6","3","HB4407","Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","IUCrData","2022","7","6","x220622","","10.1107/S2414314622006228","","","0.71073","MoKα","","0.0276","0.024","","","0.0563","0.0577","","","","","","1.1","","","","has coordinates,has Fobs","276267","2022-06-25","01:58:02",""
"1567184","9.05033","0.00013","11.72687","0.00018","16.30904","0.00019","94.4336","0.0011","96.4467","0.0011","108.884","0.0014","1615.45","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 Al O P Si4 -","- C22 H56 Al O P Si4 -","- C44 H112 Al2 O2 P2 Si8 -","2","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0329","0.032","","","0.0786","0.0793","","","","","","1.023","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567185","11.738","0.002","28.6426","0.0013","11.8207","0.0018","90","","119.12","0.02","90","","3471.9","1.1","220","0.1","220","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H55 Al O3 P Si4 -","- C23 H55 Al O3 P Si4 -","- C92 H220 Al4 O12 P4 Si16 -","4","1","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","0.71073","MoKα","","0.0936","0.0657","","","0.1914","0.2165","","","","","","1.035","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567186","14.912","0.0003","9.33098","0.00017","17.8266","0.0005","90","","104.662","0.003","90","","2399.68","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Al2 O4 Si8 -","- C30 H78 Al2 O4 Si8 -","- C60 H156 Al4 O8 Si16 -","2","0.5","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0346","0.0337","","","0.0915","0.094","","","","","","1.058","","","","has coordinates","277098","2022-08-06","11:41:15",""
"1567187","12.51484","0.00016","16.89311","0.00017","17.04953","0.00018","84.6973","0.0008","76.7333","0.001","75.257","0.001","3390.6","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H58 Al O3 P Si4 -","- C23 H58 Al O3 P Si4 -","- C92 H232 Al4 O12 P4 Si16 -","4","2","","Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.","Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.","Chemical science","2022","13","27","8088","8094","10.1039/d2sc01870e","","x-ray","1.54184","CuKα","","0.0269","0.0255","","","0.0686","0.0696","","","","","","1.033","","","","has coordinates,has disorder","277098","2022-08-06","11:41:15",""
"1567188","12.6477","0.0006","12.7165","0.0003","19.2801","0.001","90","","130.968","0.008","90","","2341.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0584","0.046","","","0.1212","0.1326","","","","","","1.03","","","","has coordinates","277097","2022-08-06","11:40:52",""
"1567189","8.8091","0.0001","14.2922","0.0001","15.6275","0.0002","90","","97.274","0.001","90","","1951.69","0.04","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 N O P S -","- C10.25 H10.25 N0.25 P0.5 S0.25 -","- C82 H82 N2 P4 S2 -","8","4","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0436","0.0411","","","0.1134","0.1146","","","","","","1.055","","","","has coordinates","277097","2022-08-06","11:40:53",""
"1567190","8.647","0.003","20.509","0.007","8.854","0.0018","90","","101.501","0.013","90","","1538.7","0.8","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N3 O3 -","- C28 H26 N3 O3 -","- C56 H52 N6 O6 -","2","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","","0.71073","MoKα","","0.0775","0.0653","","","0.1751","0.1925","","","","","","1.057","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567191","9.75496","0.00019","13.6686","0.0003","18.7757","0.0004","90","","90","","90","","2503.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N3 O3 -","- C29 H27 N3 O3 -","- C116 H108 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0622","0.0474","","","0.1211","0.1354","","","","","","1.025","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567192","39.3006","0.0005","39.3006","0.0005","39.3006","0.0005","90","","90","","90","","60701.2","1.3","200","","200","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C144 H82 N12 O32 S6 Zr6 -","- C144 H82 N12 O32 S6 Zr6 -","- C1152 H656 N96 O256 S48 Zr48 -","8","0.0416667","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0608","0.0528","","","0.1621","0.1732","","","","","","1.122","","","","has coordinates,has disorder","277100","2022-08-06","11:42:29",""
"1567193","39.2392","0.0005","39.2392","0.0005","39.2392","0.0005","90","","90","","90","","60417.2","1.3","299","","299","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C84 H44 N6 O16 S3 Zr3 -","- C84 H44 N6 O16 S3 Zr3 -","- C1344 H704 N96 O256 S48 Zr48 -","16","0.0833333","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0478","0.0409","","","0.1194","0.1286","","","","","","1.097","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567194","7.0203","0.0002","10.3506","0.0003","24.2607","0.0007","90","","95.442","0.001","90","","1754.94","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N6 S Zn -","- C14 H10 N6 S Zn -","- C56 H40 N24 S4 Zn4 -","4","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.047","0.0393","","","0.1123","0.1187","","","","","","1.064","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567195","16.549","0.0014","16.549","0.0014","12.4563","0.0012","90","","90","","90","","3411.4","0.5","190","","190","","","","","","","","","5","I 41","I 4bw","80","","","","- C12 H6 N6 S Zn -","- C12 H6 N6 S Zn -","- C96 H48 N48 S8 Zn8 -","8","1","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.34139","GaKα","","0.077","0.0718","","","0.1839","0.1932","","","","","","1.093","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567196","10.4136","0.0003","15.0054","0.0004","15.7481","0.0004","88.538","0.002","87.931","0.001","81.423","0.001","2431.19","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","- C112 H64 N16 O17 Se4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0871","0.0732","","","0.1913","0.1998","","","","","","1.079","","","","has coordinates,has disorder","277100","2022-08-06","11:42:31",""
"1567197","10.4363","0.0008","15.0079","0.0011","15.7667","0.001","88.157","0.003","88.133","0.003","81.78","0.003","2441.9","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","- C112 H64 N16 O17 S4 Zn4 -","1","0.5","","Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing","Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.","Chemical science","2022","13","27","8036","8044","10.1039/d2sc02267b","","","1.54178","CuKα","","0.0493","0.0451","","","0.1282","0.1326","","","","","","1.04","","","","has coordinates","277100","2022-08-06","11:42:31",""
"1567198","18.0201","0.0003","14.3179","0.0002","18.0259","0.0003","90","","111.026","0.001","90","","4341.2","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","H-DPro-MePro-Glu-NH2 TFA","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C144 H216 F24 N32 O56 -","8","4","","Schnitzer, Tobias; Rackl, Jonas W.; Wennemers, Helma","Stereoselective peptide catalysis in complex environments – from river water to cell lysates","Chemical Science","2022","","","","","10.1039/D2SC02044K","","x-ray","1.54178","CuKα","","0.0277","0.0273","","","0.0699","0.0703","","","","","","1.016","","","","has coordinates,has disorder","276410","2022-06-29","22:15:13",""
"1567199","7.5925","0.0001","8.1406","0.0001","20.0035","0.0002","88.891","0.001","80.802","0.001","66.229","0.001","1115.54","0.02","151","2","151","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H84 Br0.6 Cl3.4 N2 Pt -","- C38 H84 Br0.5996 Cl3.4004 N2 Pt -","- C38 H84 Br0.5996 Cl3.4004 N2 Pt -","1","0.5","","Yamamoto, Eisuke; Suzuki, Akiko; Kobayashi, Makoto; Osada, Minoru","Tailored Synthesis of Molecularly-Thin Platinum Nanosheets Using Designed 2D Surfactant Solids","Nanoscale","2022","","","","","10.1039/D2NR01807A","","x-ray","0.71073","MoKα","","0.0212","0.02","","","0.0471","0.0473","","","","","","1.035","","","","has coordinates","276420","2022-06-30","00:12:50",""
"1567201","14.1418","0.0002","16.3515","0.0002","22.1403","0.0003","107.364","0.0013","92.5382","0.0012","108.194","0.0014","4588.44","0.12","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0262","0.0238","","","0.0509","0.0516","","","","","","1.073","","","","has coordinates,has disorder","277096","2022-08-06","11:40:22",""
"1567202","17.5895","0.0002","26.3839","0.0004","21.325","0.0003","90","","99.763","0.001","90","","9753.2","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H152 K3 N5 O16 Si8 U2 -","- C67 H152 K3 N5 O16 Si8 U2 -","- C268 H608 K12 N20 O64 Si32 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1279","0.1007","","","0.2701","0.2894","","","","","","1.035","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567203","13.9128","0.0005","16.1167","0.0006","21.8294","0.001","80.346","0.004","83.8","0.004","71.074","0.004","4557","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs N3 O16 Si8 U2 -","- C60 H144 Cs N3 O16 Si8 U2 -","- C120 H288 Cs2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0939","0.0488","","","0.092","0.1075","","","","","","0.969","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567204","13.707","0.0002","13.7678","0.0002","29.7454","0.0004","94.2273","0.0011","97.0402","0.0012","117.487","0.0016","4887.79","0.14","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C60 H144 Cs2 N3 O16 Si8 U2 -","- C120 H288 Cs4 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0591","0.0451","","","0.1071","0.1116","","","","","","1.056","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567205","20.57855","0.00015","19.40862","0.00016","26.9671","0.0002","90","","91.6235","0.0008","90","","10766.4","0.14","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H174 K2 N5 O14 Si10 U2 -","- C72 H174 K2 N5 O14 Si10 U2 -","- C288 H696 K8 N20 O56 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0488","0.0413","","","0.0981","0.1031","","","","","","1.022","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567206","12.81649","0.00007","23.44652","0.0001","27.38157","0.00013","90","","100.985","0.0005","90","","8077.44","0.07","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C49.2 H129 K N5 O8.3 Si10 U2 -","- C196.8 H516 K4 N20 O33.2 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0231","0.0223","","","0.0552","0.0557","","","","","","1.114","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567207","15.102","0.0006","29.934","0.0016","27.0037","0.0008","90","","99.035","0.004","90","","12055.9","0.9","139.99","0.1","139.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H162 K6 N6 O16 Si10 U2 -","- C66 H162 K6 N6 O16 Si10 U2 -","- C264 H648 K24 N24 O64 Si40 U8 -","4","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.1567","0.0863","","","0.2043","0.2436","","","","","","1.021","","","","has coordinates","277096","2022-08-06","11:40:25",""
"1567208","13.8976","0.0004","14.741","0.0004","18.5692","0.0004","106.635","0.002","103.811","0.002","95.243","0.002","3487.04","0.17","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","- C84 H198 K2 N9 O20 Si10 U2 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0634","0.0592","","","0.1574","0.1614","","","","","","1.03","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567209","14.1046","0.0003","16.153","0.0004","22.2432","0.0005","108.265","0.002","92.266","0.002","107.449","0.002","4540.8","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H144 K N3 O16 Si8 U2 -","- C60 H144 K N3 O16 Si8 U2 -","- C120 H288 K2 N6 O32 Si16 U4 -","2","1","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0624","0.0511","","","0.1447","0.1506","","","","","","1.056","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567210","13.65686","0.00016","17.961","0.0002","20.0238","0.0002","93.8055","0.0009","91.6994","0.0009","112.135","0.0011","4531.67","0.09","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","- C96 H234 K6 N10 O24 Si14 U4 -","1","0.5","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0415","0.0336","","","0.0881","0.0909","","","","","","1.08","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567211","13.5839","0.0004","20.4057","0.0006","22.3874","0.0007","66.602","0.003","83.686","0.003","85.153","0.003","5655","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H90 K N2 O8 Si6 U -","- C36 H90 K N2 O8 Si6 U -","- C144 H360 K4 N8 O32 Si24 U4 -","4","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.066","0.0709","","","","","","1.016","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567212","14.10134","0.0001","30.68723","0.00018","46.2387","0.0003","90","","92.8994","0.0007","90","","19983.3","0.2","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H158 K2 N3 O16 Si8 U2 -","- C66 H158 K2 N3 O16 Si8 U2 -","- C528 H1264 K16 N24 O128 Si64 U16 -","8","2","","Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella","Nitrogen activation and cleavage by a multimetallic uranium complex.","Chemical science","2022","13","27","8025","8035","10.1039/d2sc02997a","","x-ray","1.54184","CuKα","","0.0953","0.0839","","","0.2147","0.2218","","","","","","1.059","","","","has coordinates,has disorder","277096","2022-08-06","11:40:25",""
"1567216","4.69482","","5.72249","","4.92885","","90","","90.6325","","90","","132.411","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- O4 W Zn -","- O4 W Zn -","- O8 W2 Zn2 -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Spray deposited zinc tungstate thin film for non-volatile memory application","Materials Letters","2022","322","","132494","","10.1016/j.matlet.2022.132494","","","","","","","","","","","","","","","","","","","","","has coordinates","276525","2022-07-04","08:51:07",""
"1567229","6.1423","0.0003","23.2488","0.0014","4.0149","0.0002","90","","90","","90","","573.33","0.05","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H8 F2 O2 -","- C14 H8 F2 O2 -","- C28 H16 F4 O4 -","2","0.5","","Divya, Indira S.; Saravanan, Kandasamy; Haseba, Shodai; Sasaki, Toshiyuki; Koshima, Hideko; Wozniak, Krzysztof; Varughese, Sunil","Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending","Chemical Science","2022","","","","","10.1039/D2SC02969C","","","0.71073","MoKα","","0.0598","0.0411","","","0.0944","0.1053","","","","","","1.117","","","","has coordinates","276575","2022-07-05","22:08:19",""
"1567230","13.2602","0.0004","14.244","0.0005","25.4714","0.0007","90","","90","","90","","4811","0.3","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H74 Cl3 F0 N4 O8 S0 Sc -","- C42 H74 Cl3 N4 O8 Sc -","- C168 H296 Cl12 N16 O32 Sc4 -","4","1","","Li, Yi; Xin, Shuang; Weng, Rui; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Chromanone Lactones via Vinylogous Conjugate Addition of Butenolide to 2-Ester Chromones","Chemical Science","2022","","","","","10.1039/D2SC02541H","","","0.71073","MoKα","","0.0383","0.0331","","","0.0872","0.0913","","","","","","1.034","","","","has coordinates","276576","2022-07-05","22:08:46",""
"1567231","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.4","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","276577","2022-07-05","22:10:54",""
"1567232","8.0982","0.001","15.8199","0.0014","16.351","0.0014","90","","90","","90","","2094.8","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[(RS)-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)sulfinyl]propanenitrile","","- C17 H23 N O10 S -","- C17 H23 N O10 S -","- C68 H92 N4 O40 S4 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0529","0.0379","","","0.0835","0.0914","","","","","","1.026","","","","has coordinates","276577","2022-07-05","22:10:55",""
"1567233","10.7207","0.0001","13.8244","0.0002","14.532","0.0002","114.84","","91.402","0.001","96.559","0.001","1935.42","0.04","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Cl6 N P2 Pt -","- C39 H33 Cl6 N P2 Pt -","- C78 H66 Cl12 N2 P4 Pt2 -","2","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0301","0.0268","","","0.0654","0.0674","","","","","","1.011","","","","has coordinates,has disorder","276577","2022-07-05","22:10:55",""
"1567234","5.7898","0.0003","8.4887","0.0005","15.9793","0.0009","90","","92.849","0.001","90","","784.38","0.08","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C34 H36 O8 S2 -","2","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0543","0.0429","","","0.1003","0.1042","","","","","","0.926","","","","has coordinates","276577","2022-07-05","22:10:55",""
"1567235","11.289","0.002","16.021","0.003","13.684","0.003","90","","107.97","0.03","90","","2354.2","0.9","200","2","200","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C52 H40 B2 F8 N4 P2 Pt -","- C52 H41 B2 F8 N4 P2 Pt -","- C104 H82 B4 F16 N8 P4 Pt2 -","2","0.5","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0627","0.0458","","","0.1047","0.1119","","","","","","1.008","","","","has coordinates,has disorder","276577","2022-07-05","22:10:55",""
"1567236","9.1347","0.0003","9.4741","0.0003","18.1026","0.0006","90","","90","","90","","1566.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,6S,7S,8R,8aS)-7,8-diacetyloxy-6-methylhexahydro-4aH-[1,4]dithiino [2,3b]pyran.","","- C12 H18 O5 S2 -","- C12 H18 O5 S2 -","- C48 H72 O20 S8 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0479","0.0416","","","0.0964","0.1004","","","","","","0.999","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567237","10.784","0.002","11.371","0.002","29.455","0.004","97.326","0.003","97.564","0.002","96.209","0.003","3522.5","1","153.2","","153.2","","","","","","","","","8","P -1","-P 1","2","","","","- C74.5 H69 Br2 Cl N8 O2 S2 Zn2 -","- C74.5 H69 Br2 Cl N8 O2 S2 Zn2 -","- C149 H138 Br4 Cl2 N16 O4 S4 Zn4 -","2","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.7107","MoKα","","0.041","0.066","","0.097","","0.088","","","1.258","","","1.6","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567238","22.785","0.003","15.8669","0.0017","20.292","0.002","90","","108.536","0.004","90","","6955.5","1.4","150","2","149.99","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C88 H144 Ag2 N24 O4 Pd4 -","- C88 H144 Ag2 N24 O4 Pd4 -","- C176 H288 Ag4 N48 O8 Pd8 -","2","0.25","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.1255","0.1138","","","0.2942","0.3068","","","","","","1.049","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567239","13.5019","0.0003","14.026","0.0003","20.0093","0.0005","72.754","0.002","73.765","0.002","80.009","0.002","3457.63","0.15","105.1","0.2","105.1","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2 -","- C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2 -","- C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2 -","1","0.5","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","x-ray","1.3405","GaKα","","0.084","0.08","","","0.2111","0.2144","","","","","","1.062","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567240","14.8284","0.0008","17.9936","0.001","21.3095","0.0012","90","","90","","90","","5685.7","0.5","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","","- C33 H42 N4 O2 -","- C33 H42 N4 O2 -","- C264 H336 N32 O16 -","8","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.057","0.0451","","","0.1186","0.1277","","","","","","1.023","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567241","21.806","0.004","21.822","0.004","20.8","0.004","90","","101.314","0.003","90","","9705","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(TPP)[Al(azpMe4)2]","","","- C56 H55 Al N4 O5.5 P -","- C56 H52 Al N4 O5.5 P -","- C448 H416 Al8 N32 O44 P8 -","8","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.111","0.0698","","","0.1865","0.2098","","","","","","1.062","","","","has coordinates,has disorder","276685","2022-07-06","20:18:41",""
"1567242","13.424","0.002","16.38","0.003","41.151","0.007","90","","90","","90","","9048","3","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","(TPP)[Al(azpCl2)2]","","","- C48 H32 Al Cl4 N4 O4 P -","- C48 H32 Al Cl4 N4 O4 P -","- C384 H256 Al8 Cl32 N32 O32 P8 -","8","2","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0746","0.046","","","0.0871","0.0961","","","","","","1.008","","","","has coordinates","276686","2022-07-06","20:19:09",""
"1567243","11.8738","0.0019","13.224","0.002","16.406","0.003","81.934","0.002","81.586","0.002","64.23","0.002","2286.4","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","(TPP)[Al(azpMe2)2]","","","- C53 H48 Al N4 O6 P -","- C53 H48 Al N4 O6 P -","- C106 H96 Al2 N8 O12 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0843","0.0703","","","0.1902","0.2036","","","","","","1.039","","","","has coordinates,has disorder","276687","2022-07-06","20:19:31",""
"1567244","13.374","0.007","14.095","0.008","16.593","0.009","96.179","0.008","106.731","0.007","103.041","0.007","2868","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTP)[Al(azpBu2)2]","","","- C64 H68 Al N4 O4 P -","- C64 H68 Al N4 O4 P -","- C128 H136 Al2 N8 O8 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0773","0.0562","","","0.1474","0.1648","","","","","","1.044","","","","has coordinates,has disorder","276688","2022-07-06","20:19:54",""
"1567245","13.324","0.013","13.763","0.013","14.19","0.014","91.243","0.014","104.039","0.013","101.05","0.012","2471","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","(TPP)[Al(phsalMe2)2]","","","- C58 H52 Al N4 O4 P -","- C58 H52 Al N4 O4 P -","- C116 H104 Al2 N8 O8 P2 -","2","1","","Takahashi, Kazuyuki; Noguchi, Takumi; Ueda, Keiji; Miyawaki, Atsuhiro; Murata, Suguru","Molecular Structures and Redox Properties of Homoleptic Aluminum(III) Complexes with Azobisphenolate (azp) Ligands","Inorganics","2022","10","6","84","","10.3390/inorganics10060084","","","0.71073","MoKα","","0.0948","0.0581","","","0.1521","0.1771","","","","","","1.017","","","","has coordinates,has disorder","276689","2022-07-06","20:20:15",""
"1567247","19.7902","0.0014","6.2266","0.0004","20.7782","0.0014","90","","102.111","0.002","90","","2503.4","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Br I N O -","- C12 H11 Br I N O -","- C96 H88 Br8 I8 N8 O8 -","8","1","","Li, Xinwei; Cheng, Zengrui; Liu, Jianzhong; Zhang, Ziyao; Song, Song; Jiao, Ning","Selective Desaturation of Amides: A Direct Approach to Enamides","Chemical Science","2022","","","","","10.1039/D2SC02210A","","","0.71073","MoKα","","0.0253","0.0239","","","0.0604","0.0612","","","","","","1.117","","","","has coordinates","276704","2022-07-06","22:13:57",""
"1567255","9.938","0.002","12.053","0.002","19.598","0.004","94.27","0.03","104.5","0.03","90.69","0.03","2265.3","0.8","300.79","0.1","300.79","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H73 N2 O4 Y -","- C44 H73 N2 O4 Y -","- C88 H146 N4 O8 Y2 -","2","1","","Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong","Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands","Polymer Chemistry","2022","13","29","4249","4259","10.1039/D2PY00455K","","","1.54184","CuKα","","0.094","0.0659","","","0.1303","0.1492","","","","","","1.112","","","","has coordinates,has disorder","277145","2022-08-06","12:03:52",""
"1567256","21.9272","0.0008","11.1967","0.0005","41.785","0.002","90","","92.244","0.004","90","","10250.9","0.8","294.06","0.1","294.06","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C50 H86 N2 O4.25 Y -","- C50 H86 N2 O4.25 Y -","- C400 H688 N16 O34 Y8 -","8","2","","Duan, Yu-Lai; Guo, Qian; Liu, Gui-Yang; Yi, Zhong-Zhou; Feng, Shao-Ping; Huang, Yong","Highly heteroselective ring-opening polymerization of rac-lactide initiated by rare-earth alkoxides bearing chiral [NNOO]-type amine-bis(phenolate) ligands","Polymer Chemistry","2022","13","29","4249","4259","10.1039/D2PY00455K","","","0.71073","MoKα","","0.1342","0.1046","","","0.2596","0.2917","","","","","","1.079","","","","has coordinates,has disorder","277145","2022-08-06","12:03:52",""
"1567271","5.4718","0.0007","16.3253","0.0016","5.4616","0.0008","90","","90","","90","","487.88","0.11","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","The crystal structure of russellite","","","- Bi O6 W -","- Bi4 O12 W2 -","- Bi8 O24 W4 -","2","0.5","","Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y.","Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation","Materials Research Bulletin","2022","147","","111639","","10.1016/j.materresbull.2021.111639","","","","","","","","","","","","","","","","","","","","","has coordinates","276767","2022-07-14","06:05:39",""
"1567274","5.5106","0.0002","7.7117","0.0003","9.6692","0.0003","70.09","0.001","86.972","0.001","85.438","0.001","384.97","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H15 F2 N O -","- C19 H15 F2 N O -","- C19 H15 F2 N O -","1","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0334","0.031","","","0.0783","0.0809","","","","","","1.036","","","","has coordinates","277648","2022-09-06","09:42:54",""
"1567275","11.9237","0.0004","10.5309","0.0004","12.4165","0.0003","90","","114.482","0.001","90","","1418.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F2 N O -","- C17 H17 F2 N O -","- C68 H68 F8 N4 O4 -","4","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0577","0.0427","","","0.1043","0.1166","","","","","","1.054","","","","has coordinates","277648","2022-09-06","09:43:43",""
"1567276","40.568","0.002","41.959","0.002","19.6114","0.0013","90","","90","","90","","33382","3","250","","250","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C232 H122 F16 N20 O48 S5 Y12 -","- C232 H122 F16 N20 O48 S5 Y12 -","- C464 H244 F32 N40 O96 S10 Y24 -","2","0.125","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.54178","CuKα","","0.0743","0.0589","","","0.1711","0.1807","","","","","","0.95","","","","has coordinates,has disorder","277650","2022-09-06","09:51:26",""
"1567277","21.358","0.01","35.038","0.016","20.494","0.009","90","","90","","90","","15337","12","173","","173","","","","","","","","","7","C m m m","-C 2 2","65","","","","- C47.48 H22.51 F4 N3 O12.97 S Y3 -","- C47.453 H23.453 F4 N3 O12.906 S Y3 -","- C189.812 H93.812 F16 N12 O51.624 S4 Y12 -","4","0.25","","Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing","Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks","Chemical Science","2022","13","32","9321","9328","10.1039/D2SC02683J","","","1.34139","GaKα","","0.1227","0.0853","","","0.223","0.253","","","","","","0.922","","","","has coordinates,has disorder","277650","2022-09-06","09:51:27",""
"1567278","10.4486","0.0003","8.0259","0.0002","41.6406","0.0012","90","","90","","90","","3491.96","0.17","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H52 O10 -","- C35 H52 O10 -","- C140 H208 O40 -","4","1","","Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide","Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones","Chemical Science","2022","","","","","10.1039/D2SC03083G","","x-ray","1.54184","CuKα","","0.1381","0.1315","","","0.4029","0.412","","","","","","1.083","","","","has coordinates","276798","2022-07-22","22:42:01",""
"1567279","48.93","0.009","8.2077","0.0017","10.3345","0.0018","90","","90","","90","","4150.4","1.4","123","2","123","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C42 H62 O12 -","- C42 H62 O12 -","- C168 H248 O48 -","4","0.5","","Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide","Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones","Chemical Science","2022","","","","","10.1039/D2SC03083G","","x-ray","1.54184","CuKα","","0.2158","0.1571","","","0.3731","0.4353","","","","","","1.619","","","","has coordinates","276798","2022-07-22","22:42:02",""
"1567280","9.5344","0.0005","23.7071","0.0016","24.8206","0.0012","90","","99.04","0.005","90","","5540.6","0.5","100","0.13","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32.5 F1.5 N4 O5 -","- C29 H30 N4 O4 -","- C232 H240 N32 O32 -","8","2","","Hazari, Amaruka; Sawaya, Michael R.; Vlahakis, Niko; Johnstone, Timothy C.; Boyer, David; Rodriguez, Jose; Eisenberg, David; Raskatov, Jevgenij A.","The rippled β-sheet layer configuration—a novel supramolecular architecture based on predictions by Pauling and Corey","Chemical Science","2022","","","","","10.1039/D2SC02531K","","","1.54184","CuKα","","0.1426","0.0838","","","0.2327","0.2819","","","","","","1.0297","","","","has coordinates","276799","2022-07-22","22:42:47",""
"1567281","5.737","0.005","19.159","0.018","24.68","0.02","90","","96.66","0.03","90","","2694","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 N3 O S2 -","- C35 H25 N3 O S2 -","- C140 H100 N12 O4 S8 -","4","1","","Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan","Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC02172B","","","0.71073","MoKα","","0.2167","0.085","","","0.1507","0.2065","","","","","","1.045","","","","has coordinates","276800","2022-07-22","22:43:21",""
"1567282","40.9226","0.0008","6.2134","0.0001","11.86","0.0002","90","","90","","90","","3015.62","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H31 N3 O S2 -","- C38 H31 N3 O S2 -","- C152 H124 N12 O4 S8 -","4","1","","Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan","Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides","Chemical Science","2022","","","","","10.1039/D2SC02172B","","","1.54184","CuKα","","0.0612","0.0547","","","0.1228","0.1278","","","","","","1.014","","","","has coordinates","276800","2022-07-22","22:43:22",""
"1567283","8.4884","0.0017","6.7183","0.0013","11.755","0.002","90","","108.39","0.03","90","","636.1","0.2","100","2","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C30 H32 N4 O4 -","2","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0645","0.0412","","","0.1132","0.1213","","","","","","1.021","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567284","22.442","0.005","10.441","0.002","41.64","0.014","90","","91.84","0.03","90","","9752","4","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 Cu F6 N8 P -","- C30 H40 Cu F6 N8 P -","- C360 H480 Cu12 F72 N96 P12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0791","0.0682","","","0.1684","0.1757","","","","","","1.095","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567285","15.194","0.003","11.576","0.002","8.9945","0.0018","90","","90","","90","","1582","0.5","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H23 N5 -","- C16 H23 N5 -","- C64 H92 N20 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0428","0.0387","","","0.0956","0.0994","","","","","","1.083","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567286","10.318","0.002","12.507","0.003","16.034","0.003","98.43","0.03","95.28","0.03","113.19","0.03","1855.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu F6 N8 O6 S2 -","- C32 H40 Cu F6 N8 O6 S2 -","- C64 H80 Cu2 F12 N16 O12 S4 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.1122","0.0616","","","0.1663","0.226","","","","","","1.065","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567287","22.769","0.005","10.613","0.002","42.709","0.017","90","","90.75","0.03","90","","10320","5","240","2","240","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H40 Cu F3 N8 O3 S -","- C31 H40 Cu F3 N8 O3 S -","- C372 H480 Cu12 F36 N96 O36 S12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1187","0.0527","","","0.1128","0.1277","","","","","","0.922","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567288","6.8997","0.0014","10.446","0.002","12.234","0.002","103.63","0.03","98.86","0.03","93.79","0.03","841.9","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N4 -","- C18 H26 N4 -","- C36 H52 N8 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0582","0.0507","","","0.1285","0.137","","","","","","1.098","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567289","13.585","0.003","25.27","0.005","12.065","0.002","90","","91.75","0.03","90","","4139.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 B2 Cu F8 N10 O4 -","- C36 H46 B2 Cu F8 N10 O4 -","- C144 H184 B8 Cu4 F32 N40 O16 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.073","0.0474","","","0.1099","0.1211","","","","","","1.026","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567290","13.117","0.003","13.265","0.003","15.609","0.003","73.5","0.03","76.04","0.03","61.06","0.03","2261.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H58 Cl2 Cu F6 N8 P -","- C41 H58 Cl2 Cu F6 N8 P -","- C82 H116 Cl4 Cu2 F12 N16 P2 -","2","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","","0.71073","MoKα","","0.0997","0.0565","","","0.1246","0.1429","","","","","","1.032","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567291","7.76","0.0016","13.9","0.003","32.3","0.007","90","","92.6","0.03","90","","3480.4","1.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu F6 N8 O4 P -","- C32 H40 Cu F6 N8 O4 P -","- C128 H160 Cu4 F24 N32 O16 P4 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0785","0.0756","","","0.2068","0.2097","","","","","","1.052","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567292","6.8391","0.0014","14.447","0.003","15.756","0.003","64.51","0.03","89.05","0.03","86.95","0.03","1403.2","0.6","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 N4 -","- C15 H20 N4 -","- C60 H80 N16 -","4","2","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0662","0.0537","","","0.1333","0.1448","","","","","","1.156","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567293","11.779","0.002","19.544","0.004","15.389","0.003","90","","94.9","0.03","90","","3529.7","1.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 B Cu F4 N10 -","- C32 H46 B Cu F4 N10 -","- C128 H184 B4 Cu4 F16 N40 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","1.54186","CuKα","","0.0948","0.0827","","","0.2132","0.2288","","","","","","1.128","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567294","17.171","0.003","8.9412","0.0018","22.701","0.005","90","","108.94","0.03","90","","3296.6","1.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B2 Cu F8 N8 -","- C30 H40 B2 Cu F8 N8 -","- C120 H160 B8 Cu4 F32 N32 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1012","0.0857","","","0.2129","0.2265","","","","","","1.081","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567295","12.407","0.003","21.571","0.004","16.723","0.003","90","","90","","90","","4475.6","1.6","100","2","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H56 Cu F6 N8 O6 S2 -","- C42 H56 Cu F6 N8 O6 S2 -","- C168 H224 Cu4 F24 N32 O24 S8 -","4","0.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0564","0.0511","","","0.1129","0.116","","","","","","1.217","","","","has coordinates","276801","2022-07-22","22:46:28",""
"1567296","13.547","0.003","12.641","0.003","26.447","0.005","90","","93.99","0.03","90","","4518","1.7","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu F6 N10 O10 S2 -","- C38 H46 Cu F6 N10 O10 S2 -","- C152 H184 Cu4 F24 N40 O40 S8 -","4","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0892","0.0426","","","0.1006","0.1104","","","","","","0.931","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567297","12.27","0.003","19.141","0.004","36.523","0.007","90","","90","","90","","8578","3","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cu F6 N10 O6 S2 -","- C34 H46 Cu F6 N10 O6 S2 -","- C272 H368 Cu8 F48 N80 O48 S16 -","8","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0793","0.065","","","0.1568","0.171","","","","","","1.094","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567298","14.04416","0.00015","29.0153","0.0003","27.517","0.0003","90","","91.0486","0.0009","90","","11211.2","0.2","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H176 O25 Rb2 Si6 U2 -","- C78 H176 O25 Rb2 Si6 U2 -","- C312 H704 O100 Rb8 Si24 U8 -","4","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0609","0.0555","","","0.1551","0.1592","","","","","","1.092","","","","has coordinates,has disorder","277654","2022-09-06","09:54:35",""
"1567299","13.7997","0.0011","16.508","0.0011","25.0252","0.0018","71.888","0.006","81.133","0.006","71.005","0.006","5114.5","0.7","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H162 O25 Rb Si6 U2 -","- C72 H162 O25 Rb Si6 U2 -","- C144 H324 O50 Rb2 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.2321","0.0858","","","0.187","0.2326","","","","","","0.922","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567300","13.8302","0.0003","31.0949","0.0004","14.0653","0.0004","90","","118.148","0.003","90","","5333.4","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 Na O25 Si6 U2 -","- C72 H162 Na O25 Si6 U2 -","- C144 H324 Na2 O50 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0895","0.0809","","","0.2189","0.2285","","","","","","1.052","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567301","14.3992","0.0005","14.5329","0.0005","30.7352","0.0007","88.132","0.002","79.13","0.002","60.661","0.003","5492.7","0.3","140","0.3","140","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C79 H170 Cs2 O26 Si6 U2 -","- C79 H170 Cs2 O26 Si6 U2 -","- C158 H340 Cs4 O52 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","0.71073","MoKα","","0.0644","0.0542","","","0.1043","0.1074","","","","","","1.19","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567302","14.484","0.0002","17.573","0.0003","25.4883","0.0004","79.6962","0.0013","89.4157","0.0013","67.026","0.0016","5863.83","0.18","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H178 O26 Rb2 Si6 U2 -","- C86 H178 O26 Rb2 Si6 U2 -","- C172 H356 O52 Rb4 Si12 U4 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1058","0.1093","","","","","","1.06","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567303","14.2492","0.0003","30.7972","0.0006","30.9557","0.0005","115.848","0.0018","95.2709","0.0016","98.8528","0.0018","11885.2","0.5","219.99","0.1","219.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C144 H324 Cs8 N4 O50 Si12 U4 -","- C144 H324 Cs8 N4 O50 Si12 U4 -","- C288 H648 Cs16 N8 O100 Si24 U8 -","2","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.1044","0.0645","","","0.1541","0.1807","","","","","","0.963","","","","has coordinates","277654","2022-09-06","09:54:36",""
"1567304","14.0149","0.0003","17.5229","0.0003","24.7263","0.0006","83.4471","0.0018","83.4537","0.0019","70.099","0.002","5654","0.2","140","0.1","140","0.1","","","","","","","","7","P 1","P 1","1","","","","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C72 H162 N2 O25 Rb2 Si6 U2 -","- C144 H324 N4 O50 Rb4 Si12 U4 -","2","2","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0793","0.0609","","","0.1449","0.1592","","","","","","1.047","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567305","25.3833","0.0004","25.3833","0.0004","65.6666","0.0017","90","","90","","90","","42309.8","1.4","140.1","0.5","140.1","0.5","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H162 Cs2 O25 Si6 U2 -","- C72 H162 Cs2 O25 Si6 U2 -","- C1152 H2592 Cs32 O400 Si96 U32 -","16","1","","Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Cation assisted binding and cleavage of dinitrogen by uranium complexes","Chemical Science","2022","13","32","9232","9242","10.1039/D2SC02530B","","x-ray","1.54184","CuKα","","0.0982","0.0556","","","0.1198","0.1475","","","","","","1.0072","","","","has coordinates,has disorder","277654","2022-09-06","09:54:36",""
"1567306","10.0611","0.001","11.5414","0.0011","15.8166","0.0015","77.316","0.007","74.707","0.007","65.801","0.007","1602.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C76 H96 N4 O4 -","2","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.0912","0.0738","","","0.1993","0.2099","","","","","","1.068","","","","has coordinates","277665","2022-09-06","09:59:00",""
"1567307","13.809","0.003","8.7376","0.0017","17.19","0.005","90","","99.585","0.005","90","","2045.1","0.8","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C46 H64 N2 O2 -","- C46 H64 N2 O2 -","- C92 H128 N4 O4 -","2","0.25","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.0685","0.045","","","0.116","0.1281","","","","","","1.023","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567308","7.0219","0.0004","20.7503","0.001","17.221","0.001","90","","91.096","0.002","90","","2508.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 O2 S -","- C18 H10 O2 S -","- C144 H80 O16 S8 -","8","2","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0915","0.0773","","","0.167","0.1738","","","","","","1.208","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567309","6.142","0.002","9.094","0.003","15.431","0.005","106.415","0.005","93.806","0.005","97.936","0.006","813.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MnNRC8","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","1","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","0.71073","MoKα","","0.1128","0.0815","","","0.2118","0.235","","","","","","1.047","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567310","19.7648","0.0012","7.4276","0.0004","16.1962","0.0009","90","","90","","90","","2377.7","0.2","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H28 O2 S -","- C30 H28 O2 S -","- C120 H112 O8 S4 -","4","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.081","0.0754","","","0.187","0.1936","","","","","","1.104","","","","has coordinates","277665","2022-09-06","09:59:02",""
"1567311","15.4383","0.0016","20.371","0.002","7.3501","0.0007","90","","90","","90","","2311.6","0.4","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C31 H24 O2 S -","- C31 H24 O2 S -","- C124 H96 O8 S4 -","4","0.5","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","x-ray","0.71073","MoKα","","0.0678","0.053","","","0.1091","0.1153","","","","","","1.095","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567312","27.514","0.002","12.1313","0.0011","32.252","0.004","90","","99.556","0.007","90","","10615.7","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cr_snow","","","- C54 H84 Cl Cr N2 O5 -","- C54 H84 Cl Cr N2 O5 -","- C432 H672 Cl8 Cr8 N16 O40 -","8","1","","Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.","Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design","Chemical Science","2022","13","33","9595","9606","10.1039/D2SC03258A","","","1.54178","CuKα","","0.2037","0.1291","","","0.3138","0.3808","","","","","","1.109","","","","has coordinates,has disorder","277665","2022-09-06","09:59:02",""
"1567313","12.373","0.006","19.541","0.009","21.137","0.01","63.579","0.005","75.787","0.005","71.958","0.005","4317","4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.5 H34 F10 Ir N4 O2 P -","- C48.5 H34 F10 Ir N4 O2 P -","- C194 H136 F40 Ir4 N16 O8 P4 -","4","2","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0617","0.045","","","0.1092","0.1198","","","","","","1.058","","","","has coordinates","277089","2022-08-06","11:37:20",""
"1567314","12.0293","0.0003","13.6426","0.0003","15.8219","0.0003","79.16","0.001","81.948","0.001","71.953","0.001","2415.43","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 F10 Ir N4 O4 P -","- C55 H39 F10 Ir N4 O4 P -","- C110 H78 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.024","0.023","","","0.0579","0.0584","","","","","","1.047","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567315","11.885","0.002","13.195","0.003","16.517","0.003","105.127","0.002","97.59","0.002","101.773","0.002","2400.4","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 F10 Ir N4 O4 P -","- C50 H30 F10 Ir N4 O4 P -","- C100 H60 F20 Ir2 N8 O8 P2 -","2","1","","Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.","Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges","Chemical Science","2022","13","30","8804","8812","10.1039/D2SC02909J","","","0.71073","MoKα","","0.0339","0.0296","","","0.0734","0.0752","","","","","","1.049","","","","has coordinates,has disorder","277089","2022-08-06","11:37:21",""
"1567316","13.6126","0.0012","17.3901","0.0015","7.9408","0.0007","90","","90","","90","","1879.8","0.3","104","2","104","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H25 N2 O4 Rh S2 -","- C18 H25 N2 O4 Rh S2 -","- C72 H100 N8 O16 Rh4 S8 -","4","0.5","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0198","0.0182","","","0.0485","0.0492","","","","","","1.079","","","","has coordinates","276806","2022-07-22","22:56:46",""
"1567317","13.266","0.003","15.322","0.003","16.848","0.003","90","","90","","90","","3424.6","1.2","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N2 O2 Rh S -","- C17 H23 N2 O2 Rh S -","- C136 H184 N16 O16 Rh8 S8 -","8","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0304","0.0218","","","0.0485","0.0516","","","","","","1.013","","","","has coordinates","276806","2022-07-22","22:56:49",""
"1567318","12.9758","0.0007","16.8728","0.0009","18.2875","0.0009","90","","99.504","0.003","90","","3948.9","0.4","140.01","","140.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B2 F8 N2 Rh2 -","- C38 H44 B2 F8 N2 Rh2 -","- C152 H176 B8 F32 N8 Rh8 -","4","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0674","0.0393","","","0.0812","0.0913","","","","","","1.02","","","","has coordinates,has disorder","276806","2022-07-22","22:56:49",""
"1567319","13.6005","0.0016","11.1691","0.001","15.316","0.0018","90","","103.448","0.004","90","","2262.8","0.4","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N3 O4 Rh S2 -","- C20 H28 N3 O4 Rh S2 -","- C80 H112 N12 O16 Rh4 S8 -","4","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0322","0.0255","","","0.0598","0.0618","","","","","","1.058","","","","has coordinates","276806","2022-07-22","22:56:49",""
"1567320","9.5006","0.0004","26.1082","0.0011","17.1121","0.0008","90","","103.04","0.002","90","","4135.1","0.3","140","","140","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl0.5 Co0.5 N1.5 O2 Rh0.5 S -","- C20 H29 Cl0.5 Co0.5 N1.5 O2 Rh0.5 S -","- C160 H232 Cl4 Co4 N12 O16 Rh4 S8 -","8","2","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0687","0.0439","","","0.0967","0.1073","","","","","","1.039","","","","has coordinates","276806","2022-07-22","22:56:49",""
"1567321","10.4938","0.0005","11.4745","0.0006","15.7469","0.0007","90","","90.1","0.002","90","","1896.1","0.16","140.02","","140.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N2 Rh -","- C22 H25 N2 Rh -","- C88 H100 N8 Rh4 -","4","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0306","0.0233","","","0.0492","0.0521","","","","","","1.061","","","","has coordinates","276806","2022-07-22","22:56:50",""
"1567322","19.0964","0.0018","10.3051","0.0009","23.86","0.002","90","","104.469","0.003","90","","4546.5","0.7","145","","145","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N2 Rh -","- C28 H29 N2 Rh -","- C224 H232 N16 Rh8 -","8","2","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0911","0.0619","","","0.1478","0.1616","","","","","","1.064","","","","has coordinates","276806","2022-07-22","22:56:50",""
"1567323","13.2373","0.0006","12.7617","0.0006","19.6601","0.0009","90","","92.687","0.002","90","","3317.5","0.3","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 B2 F8 N4 Rh -","- C32 H35 B2 F8 N4 Rh -","- C128 H140 B8 F32 N16 Rh4 -","4","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0352","0.0258","","","0.0638","0.0709","","","","","","1.052","","","","has coordinates,has disorder","276806","2022-07-22","22:56:50",""
"1567324","11.7284","0.0005","16.4573","0.0007","12.1115","0.0005","90","","113.811","0.002","90","","2138.75","0.16","135","2","135","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H65 Co N2 O5 Rh S2 -","- C42 H65 Co N2 O5 Rh S2 -","- C84 H130 Co2 N4 O10 Rh2 S4 -","2","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0281","0.0242","","","0.0539","0.0556","","","","","","1.037","","","","has coordinates,has disorder","276806","2022-07-22","22:56:50",""
"1567325","22.2032","0.0003","22.2032","0.0003","30.987","0.0006","90","","90","","120","","13229.4","0.4","180","0.1","180","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C86 H110 Cl3 Mn3 N6 O18 -","- C86 H110 Cl3 Mn3 N6 O18 -","- C516 H660 Cl18 Mn18 N36 O108 -","6","0.166667","","Zhang, Hang; Wu, Jia-Hui; Xue, Hao-Zong; Zhang, Ruijing; Yang, Zi-Shu; Gao, Song; Zhang, Jun-Long","Biomimetically constructing a hypoxia-activated programmable phototheranostics at the molecular level","Chemical Science","2022","","","","","10.1039/D2SC02554J","","x-ray","0.71073","MoKα","","0.0486","0.0412","","","0.122","0.1309","","","","","","1.01","","","","has coordinates,has disorder","276807","2022-07-22","22:57:57",""
"1567326","7.3149","0.0012","8.4664","0.0013","25.63","0.004","93.482","0.013","94.312","0.013","100.726","0.014","1550.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 B F5 O2 S3 -","- C33 H23 B F5 O2 S3 -","- C66 H46 B2 F10 O4 S6 -","2","1","","Li, Ziyong; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Shuren; Chen, Si; Zhou, Hui; Yang, Xiao-Gang","Green-/NIR-light-controlled rapid photochromism featuring reversible thermally activated delayed fluorescence and photoelectronic switching","Chemical Science","2022","13","32","9381","9386","10.1039/D2SC02662G","","x-ray","0.71073","MoKα","","0.308","0.1095","","","0.1875","0.2774","","","","","","1.004","","","","has coordinates","277653","2022-09-06","09:52:31",""
"1567327","11.63","0.04","12.52","0.05","15.71","0.06","76.35","0.1","72.58","0.07","65.54","0.08","1970","13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H48 Au F6 N4 O6 Sb -","- C35 H44 Au F6 N4 O6 Sb -","- C70 H88 Au2 F12 N8 O12 Sb2 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.1121","0.0894","","","0.2113","0.2361","","","","","","1.062","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567328","6.3989","0.0002","7.1432","0.0002","27.0217","0.0007","90","","90","","90","","1235.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0287","0.0282","","","0.0731","0.0736","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567329","12.29","0.04","16.44","0.05","19.22","0.06","90","","101.35","0.06","90","","3807","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37.26 H44.26 F6 I0.11 N4 O0.89 Sb -","- C37.251 H44.251 F6 I0.107 N4 O0.893 Sb -","- C149.004 H177.004 F24 I0.428 N16 O3.572 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0892","0.068","","","0.1365","0.1468","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567330","9.9684","0.0005","23.6287","0.001","12.9108","0.0006","90","","101.309","0.002","90","","2982","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Au Cl N4 -","- C31 H38 Au Cl N4 -","- C124 H152 Au4 Cl4 N16 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0594","0.0473","","","0.1253","0.136","","","","","","1.088","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567331","11.589","0.01","11.486","0.009","26.6","0.03","90","","97.78","0.02","90","","3508","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl N5 O2 -","- C37 H46 Cl N5 O2 -","- C148 H184 Cl4 N20 O8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0697","0.0602","","","0.1425","0.1481","","","","","","1.123","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567332","9.426","0.007","12.481","0.009","15.289","0.012","108.17","0.02","91.2","0.03","110.83","0.02","1580","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Au Cl N5 O0.46 -","- C32 H42 Au Cl N5 O0.464 -","- C64 H84 Au2 Cl2 N10 O0.928 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0482","0.034","","","0.074","0.0854","","","","","","1.185","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567333","12.502","0.0006","15.3475","0.0008","22.3529","0.0011","83.846","0.002","81.645","0.002","79.159","0.002","4153.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H50 Au Cl2 F6 N4 O2 Sb -","- C35 H48 Au Cl2 F6 N4 O2 Sb -","- C140 H192 Au4 Cl8 F24 N16 O8 Sb4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0762","0.0586","","","0.1292","0.1402","","","","","","1.236","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567334","12.25","0.02","15.5","0.02","23.22","0.04","89.58","0.03","84.7","0.04","85.16","0.04","4374","12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Au Cl N5 O -","- C46 H55 Au Cl N5 O -","- C184 H220 Au4 Cl4 N20 O4 -","4","2","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71076","MoKα","","0.0801","0.0509","","","0.1007","0.1158","","","","","","1.271","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567335","25.668","0.009","11.721","0.004","25.249","0.009","90","","90","","90","","7596","5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C72 H82 Au2 F12 N10 Sb2 -","- C72 H82 Au2 F12 N10 Sb2 -","- C288 H328 Au8 F48 N40 Sb8 -","4","0.5","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1075","0.0652","","","0.1282","0.151","","","","","","1.243","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567336","17.0009","0.0007","11.783","0.0005","19.9923","0.0008","90","","98.26","0.002","90","","3963.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H45 Au F6 N5 Sb -","- C42 H45 Au F6 N5 Sb -","- C168 H180 Au4 F24 N20 Sb4 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0642","0.0478","","","0.1097","0.1221","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567337","16.5318","0.0008","17.9336","0.0008","25.9388","0.0012","90","","107.017","0.002","90","","7353.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C67 H88 Au2 Cl2 F12 N8 O Sb2 -","- C268 H352 Au8 Cl8 F48 N32 O4 Sb8 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0745","0.0513","","","0.1039","0.1178","","","","","","1.242","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567338","16.4149","0.0008","23.5323","0.0012","24.8306","0.0013","64.105","0.001","80.992","0.002","81.246","0.001","8484.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C167 H215 Au4 B4 Cl4 F16 N21 O9 -","- C334 H430 Au8 B8 Cl8 F32 N42 O18 -","2","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.1132","0.0658","","","0.1318","0.1554","","","","","","1.098","","","","has coordinates,has disorder","277651","2022-09-06","09:51:58",""
"1567339","6.189","0.0004","12.3978","0.0009","26.4025","0.0015","90","","90","","90","","2025.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N2 O -","- C21 H34 N2 O -","- C84 H136 N8 O4 -","4","1","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0432","0.0406","","","0.1036","0.1051","","","","","","1.067","","","","has coordinates,has disorder","276810","2022-07-22","23:02:38",""
"1567340","28.311","0.003","9.3672","0.0009","15.1782","0.0016","90","","102.115","0.004","90","","3935.5","0.7","150","2","150","2","","","","","","","synthesis as described","6","C 1 2 1","C 2y","5","","","","- C18 H28 Au Cl N2 O -","- C18 H28 Au Cl N2 O -","- C144 H224 Au8 Cl8 N16 O8 -","8","2","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0351","0.029","","","0.0598","0.0619","","","","","","1.024","","","","has coordinates","276810","2022-07-22","23:02:38",""
"1567341","9.7764","0.0012","14.6129","0.0018","16.587","0.002","90","","90","","90","","2369.6","0.5","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 Au Cl N2 O -","- C21 H34 Au Cl N2 O -","- C84 H136 Au4 Cl4 N8 O4 -","4","1","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0785","0.0544","","","0.1215","0.1361","","","","","","1.025","","","","has coordinates","276810","2022-07-22","23:02:38",""
"1567342","15.4157","0.0017","17.5066","0.0017","19.617","0.002","95.374","0.006","102.99","0.007","104.699","0.006","4925.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H120 Cl6 N8 O2 S4 -","- C104 H120 Cl6 N8 O2 S4 -","- C208 H240 Cl12 N16 O4 S8 -","2","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.284","0.1337","","","0.2936","0.3449","","","","","","1.346","","","","has coordinates,has disorder","277666","2022-09-06","10:03:26",""
"1567343","17.222","0.004","59.388","0.013","19.162","0.005","90","","98.29","0.012","90","","19394","8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H120 F6 N8 O2 S4 -","- C104 H120 F6 N8 O2 S4 -","- C832 H960 F48 N64 O16 S32 -","8","2","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","","1.34139","GaKα","","0.2766","0.1929","","","0.3973","0.4267","","","","","","1.029","","","","has coordinates","277666","2022-09-06","10:03:37",""
"1567344","41.303","0.004","41.303","0.004","32.517","0.004","90","","90","","120","","48040","9","173","","173","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C104 H120 Cl4 F2 N8 O2 S4 -","- C104 H120 Cl4 F2 N8 O2 S4 -","- C1872 H2160 Cl72 F36 N144 O36 S72 -","18","1","","Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng","Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells","Energy & Environmental Science","2022","15","8","3519","3533","10.1039/D2EE01340A","","x-ray","1.34139","GaKα","","0.1728","0.0932","","","0.2468","0.3145","","","","","","0.93","","","","has coordinates","277666","2022-09-06","10:03:40",""
"1567346","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0632","0.0334","","","0.065","0.083","","","","","","1.4392","","","","has coordinates","276901","2022-07-23","04:17:50",""
"1567347","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0607","0.0306","","","0.06","0.0785","","","","","","1.3912","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567348","6.1732","0.0003","6.1732","0.0003","5.6881","0.0005","90","","90","","90","","216.76","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.27552","synchrotron","","0.0611","0.031","","","0.0617","0.0789","","","","","","1.3986","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567349","6.1711","0.0003","6.1711","0.0003","5.6747","0.0005","90","","90","","90","","216.11","0.02","293","3","293","3","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.50014","synchrotron","","0.0207","0.02","","","0.0593","0.0596","","","","","","1.3806","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567350","6.1711","0.0003","6.1711","0.0003","5.6747","0.0005","90","","90","","90","","216.11","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.50014","synchrotron","","0.0783","0.0776","","","0.1468","0.1485","","","","","","0.9361","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567351","6.1918","0.0004","6.1918","0.0004","5.7067","0.0004","90","","90","","90","","218.79","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.029","0.0152","","","0.022","0.0255","","","","","","0.9287","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567352","6.1918","0.0004","6.1918","0.0004","5.7067","0.0004","90","","90","","90","","218.79","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.03","0.0159","","","0.0231","0.0265","","","","","","0.9349","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567353","6.1737","0.0005","6.1737","0.0005","5.6843","0.0003","90","","90","","90","","216.65","0.03","293","3","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0441","0.0296","","","0.0588","0.0709","","","","","","1.1654","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567354","6.1737","0.0005","6.1737","0.0005","5.6843","0.0003","90","","90","","90","","216.65","0.03","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0452","0.0306","","","0.0624","0.0751","","","","","","1.1553","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567355","6.1665","0.0003","6.1665","0.0003","5.6756","0.0004","90","","90","","90","","215.82","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0339","0.0162","","","0.0255","0.0289","","","","","","1.0567","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567356","6.1665","0.0003","6.1665","0.0003","5.6756","0.0004","90","","90","","90","","215.82","0.02","293","2","293","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","","","","- H2 O -","- H2 O -","- H20 O10 -","10","0.625","","Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof","Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement","IUCrJ","2022","9","5","","","10.1107/S2052252522006662","","x-ray","0.56087","AgKα","","0.0347","0.0171","","","0.0261","0.0294","","","","","","1.0414","","","","has coordinates","276901","2022-07-23","04:17:51",""
"1567357","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Molybdenumhexacarbonyl","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0234","0.0231","","","0.0796","0.08","","","","","","1.0215","","","","has coordinates","276902","2022-07-23","04:19:37",""
"1567358","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0132","0.0129","","","0.0358","0.036","","","","","","1.0375","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567359","11.74147","0.00013","11.22116","0.00009","6.35094","0.00005","90","","90","","90","","836.755","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.62303","synchrotron","","0.0133","0.013","","","0.036","0.0362","","","","","","1.0451","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567360","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.037","0.0362","","","0.1141","0.1149","","","","","","0.955","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567361","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0282","0.0277","","","0.1007","0.1015","","","","","","1.0106","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567362","11.78656","0.00017","11.2619","0.00012","6.3733","0.00007","90","","90","","90","","845.986","0.018","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61988","synchrotron","","0.0143","0.0137","","","0.0362","0.0366","","","","","","1.0878","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567363","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0201","0.0192","","","0.0572","0.0576","","","","","","1.0123","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567364","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0227","0.0218","","","0.0682","0.0688","","","","","","1.0078","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567365","11.7976","0.0002","11.2734","0.0001","6.3799","0.0001","90","","90","","90","","848.52","0.02","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61954","synchrotron","","0.0152","0.0143","","","0.0367","0.037","","","","","","1.0632","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567366","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","MoCO6_20018_henke","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0288","0.0279","","","0.0944","0.0953","","","","","","1.0119","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567367","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.0167","0.0157","","","0.0426","0.0431","","","","","","1.043","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567368","11.80112","0.00014","11.27663","0.00009","6.38185","0.00005","90","","90","","90","","849.277","0.014","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61936","synchrotron","","0.016","0.0151","","","0.0399","0.0403","","","","","","1.0548","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567369","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0211","0.0203","","","0.0638","0.0643","","","","","","1.063","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567370","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0178","0.0169","","","0.0493","0.0497","","","","","","1.0256","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567371","11.80973","0.00013","11.28599","0.00008","6.38709","0.00005","90","","90","","90","","851.3","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61902","synchrotron","","0.0154","0.0145","","","0.0389","0.0392","","","","","","1.0835","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567372","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0252","0.0244","","","0.0803","0.0812","","","","","","1.0251","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567373","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0172","0.0163","","","0.046","0.0465","","","","","","1.0431","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567374","11.82125","0.00012","11.2974","0.00008","6.39402","0.00005","90","","90","","90","","853.917","0.013","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61868","synchrotron","","0.0157","0.0149","","","0.0398","0.0402","","","","","","1.0608","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567375","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.039","0.0394","","","","","","1.0602","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567376","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0151","0.0143","","","0.0386","0.0391","","","","","","1.0596","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567377","11.8622","0.00011","11.33684","0.00008","6.41647","0.00004","90","","90","","90","","862.886","0.011","110","","110","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C6 Mo O6 -","- C6 Mo O6 -","- C24 Mo4 O24 -","4","0.5","LT5050","Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael","Refinement of anomalous dispersion correction parameters in single-crystal structure determinations","IUCrJ","2022","9","5","","","10.1107/S2052252522006844","","x-ray","0.61683","synchrotron","","0.0148","0.014","","","0.0378","0.0383","","","","","","1.0685","","","","has coordinates","276902","2022-07-23","04:19:38",""
"1567378","26.85","0.001","15.6862","0.0006","13.5175","0.0006","90","","90.062","0.002","90","","5693.2","0.4","296","","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Henhexacontacopper dotriacontasulfur","","- Cu61.39 S32 -","- Cu61.385 S32 -","- Cu245.54 S128 -","4","1","WM4164","Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites","IUCrData","2022","7","7","","","10.1107/S2414314622006940","","","0.71073","MoKα","","0.1139","0.0674","","","0.1152","0.1322","","","","","","0.952","","","","has coordinates,has disorder,has Fobs","276904","2022-07-23","04:24:43",""
"1567379","8.8585","0.0003","18.0405","0.0005","23.1961","0.0007","90","","90","","90","","3707","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C168 H152 N40 O24 -","8","1","BX4022","Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","IUCrData","2022","7","7","","","10.1107/S2414314622006939","","","1.54178","CuKα","","0.0438","0.0351","","","0.0816","0.0872","","","","","","1.048","","","","has coordinates,has Fobs","276905","2022-07-23","04:25:09",""
"1567380","35.832","0.005","10.2608","0.0015","22.034","0.003","90","","118.095","0.003","90","","7146.6","1.8","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","","- C33 H58 B Cl2 F4 Ir N3 P -","- C33 H58 B Cl2 F4 Ir N3 P -","- C264 H464 B8 Cl16 F32 Ir8 N24 P8 -","8","1","WM4168","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","IUCrData","2022","7","7","x220685","","10.1107/S241431462200685X","","","0.71073","MoKα","","0.028","0.0219","","","0.0492","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","276906","2022-07-23","04:25:40",""
"1567381","6.1595","0.0005","6.1595","0.0005","6.1595","0.0005","90","","90","","90","","233.69","0.03","150","2","150","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tin tellurium selenide","","- Se0.27 Sn Te0.73 -","- Se0.27 Sn Te0.73 -","- Se1.08 Sn4 Te2.92 -","4","0.0208333","","Moris, Silvana; Galdámez, Antonio","Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data","IUCrData","2022","7","7","x220729","","10.1107/S2414314622007295","","","0.71073","MoKα","","0.0447","0.0447","","","0.1149","0.1149","","","","","","1.485","","","","has coordinates,has Fobs","276907","2022-07-23","04:26:17",""
"1567382","14.0862","0.0006","15.4831","0.0007","12.9171","0.0005","90","","106.586","0.004","90","","2700","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0654","0.0422","","","0.1085","0.119","","","","","","1.061","","","","has coordinates","277661","2022-09-06","09:57:18",""
"1567383","12.9752","0.0007","6.8244","0.0004","15.5938","0.001","90","","90","","90","","1380.8","0.14","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0569","0.0387","","","0.1102","0.1187","","","","","","1.058","","","","has coordinates,has disorder","277661","2022-09-06","09:57:20",""
"1567384","12.9715","0.0006","6.8326","0.0003","15.6063","0.0008","90","","90","","90","","1383.17","0.11","363","","363","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","0.5","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0565","0.0382","","","0.1062","0.1141","","","","","","1.07","","","","has coordinates,has disorder","277661","2022-09-06","09:57:31",""
"1567385","14.0976","0.0005","15.4992","0.0005","12.9484","0.0004","90","","106.584","0.004","90","","2711.56","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-2,3,5,6-tetrafluorobenzenyl(1,3-dimethylimidazolin-2-ylidene)gold complex","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C88 H64 Au8 Br8 F32 N16 -","8","2","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.122","0.0836","","","0.204","0.2241","","","","","","1.039","","","","has coordinates","277661","2022-09-06","09:57:33",""
"1567386","7.685","0.0003","15.3186","0.0004","12.9425","0.0005","90","","120.622","0.005","90","","1311.16","0.1","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","x-ray","0.71073","MoKα","","0.0248","0.0212","","","0.0511","0.0523","","","","","","1.03","","","","has coordinates","277661","2022-09-06","09:57:37",""
"1567387","7.6985","0.0005","15.3528","0.0008","12.9738","0.0008","90","","120.533","0.009","90","","1320.79","0.18","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Au Br F4 N2 -","- C11 H8 Au Br F4 N2 -","- C44 H32 Au4 Br4 F16 N8 -","4","1","","Feng, Chi; Seki, Tomohiro; Sakamoto, Shunichi; Sasaki, Toshiyuki; Takamizawa, Satoshi; Ito, Hajime","Mechanical deformation and multiple thermal restoration of organic crystals: reversible multi-stage shape-changing effect with luminescence-color changes","Chemical Science","2022","13","33","9544","9551","10.1039/D2SC03414J","","","0.71073","MoKα","","0.0956","0.0714","","","0.2079","0.2239","","","","","","1.05","","","","has coordinates","277661","2022-09-06","09:57:40",""
"1567388","5.8166","0.0001","11.4718","0.0002","9.5696","0.0002","90","","103.897","0.002","90","","619.86","0.02","100.2","0.8","100.2","0.8","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H22 N O3 -","- C12 H22 N O3 -","- C24 H44 N2 O6 -","2","0.5","","Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong","A nonconjugated radical polymer with stable red luminescence in the solid state.","Materials horizons","2022","9","10","2564","2571","10.1039/d2mh00808d","","x-ray","1.54184","CuKα","","0.0368","0.0357","","","0.0924","0.0931","","","","","","1.047","","","","has coordinates,has disorder","278480","2022-10-07","01:26:37",""
"1567391","12.1122","0.0006","10.6192","0.0006","7.8333","0.0004","90","","90","","90","","1007.53","0.09","294","2","294","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 F5 I O4 W -","- Cs2 F5 I O4 W -","- Cs8 F20 I4 O16 W4 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi","Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering","Chemical Science","2022","","","","","10.1039/D2SC02137D","","","0.71073","MoKα","","0.0291","0.0279","","","0.0599","0.0604","","","","","","1.083","","","","has coordinates","276967","2022-07-27","22:06:25",""
"1567392","11.726","0.002","10.188","0.002","7.6661","0.0016","90","","90","","90","","915.8","0.3","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F5 I O4 Rb2 W -","- F5 I O4 Rb2 W -","- F20 I4 O16 Rb8 W4 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi","Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering","Chemical Science","2022","","","","","10.1039/D2SC02137D","","","0.71073","MoKα","","0.0774","0.0773","","","0.1834","0.1834","","","","","","1.02","","","","has coordinates","276967","2022-07-27","22:06:25",""
"1567393","34.6729","0.0018","5.8345","0.0003","19.159","0.001","90","","106.03","0.002","90","","3725.1","0.3","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C20 H24 Fe O6 -","- C20 H24 Fe O6 -","- C160 H192 Fe8 O48 -","8","2","","Oberle, Kjersti G.; Whitman, Elizabeth L.; Jolly, Charles S.; Webster, Katherine A.; Marx, Benjamin S.; Howard, Christopher M.; Hanger, Clara A.; Ramey, Erin E.; Zou, Yutong; Lowe, Jared C.; Turlington, Mark; Turlington, Christopher R.","Metallopolymers in minutes via organocatalysis at room temperature","Polymer Chemistry","2022","13","33","4747","4751","10.1039/D2PY00747A","","","0.71073","MoKα","","0.0445","0.0417","","","0.093","0.0941","","","","","","1.132","","","","has coordinates,has disorder","277681","2022-09-06","10:20:04",""
"1567394","8.7021","0.0002","10.4858","0.0002","18.6175","0.0004","90","","94.841","0.002","90","","1692.76","0.06","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization","Chemical Science","2022","","","","","10.1039/D2SC01175A","","x-ray","0.71073","MoKα","","0.0385","0.0353","","","0.0988","0.1009","","","","","","1.043","","","","has coordinates","276984","2022-07-28","22:10:16",""
"1567395","9.2866","0.0003","10.4269","0.0003","11.1292","0.0003","87.053","0.002","81.996","0.002","86.1","0.002","1063.72","0.05","170.01","0.1","170.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl O2 S -","- C25 H23 Cl O2 S -","- C50 H46 Cl2 O4 S2 -","2","1","","Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization","Chemical Science","2022","","","","","10.1039/D2SC01175A","","x-ray","1.54184","CuKα","","0.0351","0.0343","","","0.0962","0.0969","","","","","","1.077","","","","has coordinates","276984","2022-07-28","22:10:16",""
"1567396","8.2022","0.0008","10.5431","0.0009","18.8492","0.0016","75.696","0.002","88.8","0.003","67.516","0.001","1454.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao","Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization","Chemical Science","2022","","","","","10.1039/D2SC01175A","","","0.71073","MoKα","","0.084","0.0539","","","0.1271","0.139","","","","","","1.03","","","","has coordinates","276984","2022-07-28","22:10:16",""
"1567397","6.3864","0.0001","7.8416","0.0001","39.8125","0.0007","90","","90","","90","","1993.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 O7 P -","- C18 H27 O7 P -","- C72 H108 O28 P4 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi","Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases","Chemical Science","2022","13","29","8550","8556","10.1039/D2SC01965E","","x-ray","1.54184","CuKα","","0.0459","0.0432","","","0.109","0.1105","","","","","","1.098","","","","has coordinates","276999","2022-07-29","22:05:19",""
"1567398","16.5285","0.0001","17.378","0.0001","34.2234","0.0002","90","","90","","90","","9830.06","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Br2 Mn N7 O Si2 -","- C43 H67 Br2 Mn N7 O Si2 -","- C344 H536 Br16 Mn8 N56 O8 Si16 -","8","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0387","0.0341","","","0.0838","0.0878","","","","","","1.028","","","","has coordinates","277001","2022-07-29","22:06:29",""
"1567399","10.1252","0.0003","18.0882","0.0005","13.3966","0.0005","90","","103.606","0.003","90","","2384.69","0.13","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H65 Mn N7 O3 Si2 -","- C48 H65 Mn N7 O3 Si2 -","- C96 H130 Mn2 N14 O6 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0605","0.0511","","","0.1279","0.1399","","","","","","1.05","","","","has coordinates,has disorder","277001","2022-07-29","22:06:30",""
"1567400","9.522","0.0001","18.7589","0.0002","13.6576","0.0002","90","","97.022","0.001","90","","2421.25","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H75 Mn N7 P2 Si2 -","- C45 H75 Mn N7 P2 Si2 -","- C90 H150 Mn2 N14 P4 Si4 -","2","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0447","0.0407","","","0.1048","0.1093","","","","","","1.054","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567401","13.5113","0.0003","13.8328","0.0003","28.2254","0.0005","90","","92.402","0.002","90","","5270.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Mn N7 P2 Si2 -","- C48 H82 Mn N7 P2 Si2 -","- C192 H328 Mn4 N28 P8 Si8 -","4","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0654","0.0445","","","0.1058","0.1198","","","","","","1.024","","","","has coordinates","277001","2022-07-29","22:06:30",""
"1567402","11.8411","0.0006","12.4718","0.0007","15.3713","0.0008","80.252","0.002","81.208","0.002","66.112","0.003","2036.64","0.19","135","2","135","2","","","","","","","","7","P -1","-P 1","2","Mo-2","","","- C37 H30 Cl2 F18 Mo N2 O4 -","- C37 H30 Cl2 F18 Mo N2 O4 -","- C74 H60 Cl4 F36 Mo2 N4 O8 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0602","0.0528","","","0.1401","0.1443","","","","","","1.024","","","","has coordinates","277002","2022-07-29","22:07:17",""
"1567403","12.9654","0.0008","13.8876","0.0009","19.3009","0.0012","79.898","0.002","78.994","0.002","86.057","0.003","3356.2","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","Mo-8","","","- C53 H44 Al Cl F41 Mo N2 O7 -","- C53 H44 Al Cl F41 Mo N2 O7 -","- C106 H88 Al2 Cl2 F82 Mo2 N4 O14 -","2","1","","Musso, Janis V.; De Jesus Silva, Jordan; Benedikter, Mathis J.; Groos, Jonas; Frey, Wolfgang; Copéret, Christophe; Buchmeiser, Michael R.","Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts","Chemical Science","2022","13","29","8649","8656","10.1039/D2SC03321F","","","0.71073","MoKα","","0.0914","0.0718","","","0.174","0.1845","","","","","","1.041","","","","has coordinates,has disorder","277002","2022-07-29","22:07:18",""
"1567405","14.4362","0.0004","21.3403","0.0006","9.2949","0.0003","90","","98.356","0.001","90","","2833.11","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C108 H120 N48 O12 -","12","3","TK4079","Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","IUCrData","2022","7","7","x220621","","10.1107/S2414314622006216","","","1.54178","CuKα","","0.0756","0.0585","","","0.1615","0.1783","","","","","","1.045","","","","has coordinates,has Fobs","277015","2022-07-30","02:11:02",""
"1567406","11.9594","0.0005","30.9963","0.0017","8.6387","0.0005","90","","94.186","0.001","90","","3193.8","0.3","100","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Br4 N3 Pb -","- C8.9999 H12.9993 Br4 N2.9999 Pb -","- C71.9992 H103.994 Br32 N23.9992 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0681","0.0634","","","0.1433","0.1454","","","","","","1.247","","","","has coordinates,has disorder","277025","2022-08-01","22:08:40",""
"1567407","12.0291","0.0002","31.112","0.0007","8.7353","0.0002","90","","94.059","0.001","90","","3260.98","0.12","300","","300.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Br4 N3 Pb -","- C8.9999 H12.9993 Br4 N2.9999 Pb -","- C71.9992 H103.994 Br32 N23.9992 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","","0.71073","MoKα","","0.038","0.0296","","","0.0684","0.073","","","","","","1.022","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567408","9.6565","0.0005","11.2444","0.0005","11.4494","0.0005","90","","106.444","0.002","90","","1192.34","0.1","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-[2-(2-ammonioethyl)-1H-imidazol-3-ium bis(mu-bromo)-dibromo-lead]","","- C5 H11 Cl4 N3 Pb -","- C5 H11 Cl4 N3 Pb -","- C20 H44 Cl16 N12 Pb4 -","4","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0439","0.0335","","","0.0707","0.0778","","","","","","1.095","","","","has coordinates","277025","2022-08-01","22:08:41",""
"1567409","9.7314","0.0004","11.3143","0.0004","11.5207","0.0005","90","","106.608","0.002","90","","1215.56","0.09","300","","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 Cl4 N3 Pb -","- C5 H11 Cl4 N3 Pb -","- C20 H44 Cl16 N12 Pb4 -","4","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0479","0.038","","","0.1186","0.1267","","","","","","1.163","","","","has coordinates","277025","2022-08-01","22:08:41",""
"1567410","11.4666","0.0006","30.4225","0.0018","8.3667","0.0004","90","","93.59","0.002","90","","2912.9","0.3","100","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Cl4 N3 Pb -","- C8.9999 H12.9993 Cl4 N2.9999 Pb -","- C71.9992 H103.994 Cl32 N23.9992 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0569","0.0487","","","0.0935","0.0967","","","","","","1.271","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567411","11.5223","0.0003","30.5566","0.0009","8.4574","0.0002","90","","93.472","0.001","90","","2972.24","0.14","300","","300.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Cl4 N3 Pb -","- C8.9999 H12.9993 Cl4 N2.9999 Pb -","- C71.9992 H103.994 Cl32 N23.9992 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0291","0.0245","","","0.0466","0.0481","","","","","","1.093","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567412","15.7175","0.0005","8.1812","0.0002","17.2809","0.0006","90","","90","","90","","2222.12","0.12","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0338","0.0176","","","0.0334","0.039","","","","","","1.051","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567413","15.7952","0.0008","8.1952","0.0004","17.4241","0.001","90","","90","","90","","2255.5","0.2","300","","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0399","0.0204","","","0.0475","0.0576","","","","","","1.176","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567414","6.3457","0.00007","12.49324","0.00016","29.7405","0.0004","90","","93.4861","0.0011","90","","2353.41","0.05","296","0.9","296","0.9","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","2","","Li, Ao; Gao, Yang; Lu, Jian-Bin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Asymmetric higher-order [10 + n] cycloadditions of palladium-containing 10π-cycloaddends","Chemical Science","2022","13","32","9265","9270","10.1039/D2SC02985E","","x-ray","1.54184","CuKα","","0.0543","0.0505","","","0.1373","0.1426","","","","","","1.037","","","","has coordinates","277656","2022-09-06","09:56:04",""
"1567415","16.196","0.006","12.016","0.004","23.162","0.01","90","","93.907","0.014","90","","4497","3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Al Fe N2 -","- C48 H70 Al Fe N2 -","- C192 H280 Al4 Fe4 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0718","0.0434","","","0.0961","0.1084","","","","","","1.031","","","","has coordinates,has disorder","277663","2022-09-06","09:58:25",""
"1567416","16.6116","0.0008","14.202","0.0007","20.0432","0.0011","90","","103.503","0.003","90","","4597.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H61 Al Fe I2 N2 -","- C45 H61 Al Fe I2 N2 -","- C180 H244 Al4 Fe4 I8 N8 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0894","0.0466","","","0.0943","0.12","","","","","","1.034","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567417","16.797","0.003","16.275","0.004","19.697","0.006","90","","112.357","0.012","90","","4980","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H146 Al2 Fe2 I2 N4 -","- C104 H146 Al2 Fe2 I2 N4 -","- C208 H292 Al4 Fe4 I4 N8 -","2","0.5","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.1144","0.0717","","","0.1686","0.2007","","","","","","1.019","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567418","15.8692","0.0002","16.9522","0.0003","18.67859","0.00019","112.089","0.0013","93.6385","0.0011","100.472","0.0013","4530.35","0.12","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H136 Al2 Fe2 I2 N4 -","- C96 H136 Al2 Fe2 I2 N4 -","- C192 H272 Al4 Fe4 I4 N8 -","2","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","x-ray","1.54184","CuKα","","0.0743","0.0597","","","0.1499","0.1592","","","","","","1.044","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567419","22.1651","0.0002","19.7884","0.0002","23.3393","0.0002","90","","113.136","0.001","90","","9413.59","0.17","100","2","99.9","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H130 Al2 Fe2 I2 N4 -","- C97 H130 Al2 Fe2 I2 N4 -","- C388 H520 Al8 Fe8 I8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","1.54184","CuKα","","0.0533","0.0438","","","0.1097","0.1148","","","","","","1.059","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567420","15.996","0.008","29.021","0.014","19.433","0.01","90","","91.562","0.013","90","","9018","8","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H136 Al2 Fe2 N4 -","- C96 H136 Al2 Fe2 N4 -","- C384 H544 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0833","0.059","","","0.1457","0.1596","","","","","","1.057","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567421","19.856","0.008","14.8","0.004","29.131","0.01","90","","105.079","0.012","90","","8266","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H122 Al2 Fe2 N4 -","- C90 H122 Al2 Fe2 N4 -","- C360 H488 Al8 Fe8 N16 -","4","1","","Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger","Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species","Chemical Science","2022","13","33","9693","9700","10.1039/D2SC02783F","","","0.71073","MoKα","","0.0964","0.0505","","","0.1142","0.1347","","","","","","1.015","","","","has coordinates,has disorder","277663","2022-09-06","09:58:26",""
"1567422","14.187","0.003","13.429","0.004","27.488","0.008","90","","90","","90","","5237","2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C256 H192 N16 O16 S16 -","8","1","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","0.71073","MoKα","","0.1317","0.0601","","","0.1318","0.1837","","","","","","1.021","","","","has coordinates","277662","2022-09-06","09:57:52",""
"1567423","4.88","0.003","10.531","0.006","12.724","0.007","105.72","0.02","91.51","0.02","99.05","0.03","620","0.6","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","1","0.5","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","1.54178","CuKα","","0.1199","0.0987","","","0.2318","0.2482","","","","","","0.987","","","","has coordinates","277662","2022-09-06","09:57:55",""
"1567424","11.3315","0.0007","12.2669","0.0008","14.2038","0.001","77.65","0.003","88.094","0.003","75.63","0.002","1867.9","0.2","100","","100","","","","","","","","see text","8","P 1","P 1","1","","","","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","1","1","","Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E.","Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance","Catalysis Science & Technology","2022","12","18","5597","5603","10.1039/D2CY01036D","","x-ray","0.71073","MoKα","","0.0369","0.0359","","","0.0961","0.0973","","","","","","1.058","","","","has coordinates,has disorder","278393","2022-10-07","00:37:23",""
"1567425","11.826","0.002","7.8223","0.0013","12.199","0.002","90","","118.99","","90","","987.1","0.3","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 O4 S -","- C21 H24 O4 S -","- C42 H48 O8 S2 -","2","1","","He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing","Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide","Chemical Science","2022","13","30","8834","8839","10.1039/D2SC02497G","","","0.71073","MoKα","","0.0326","0.0301","","","0.081","0.083","","","","","","1.009","","","","has coordinates","277072","2022-08-04","22:09:22",""
"1567426","21.4705","0.0013","18.6774","0.0012","19.3095","0.001","90","","90.509","0.002","90","","7743.1","0.8","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Au B9 Br4 N4 O2 P2 -","- C24 H46 Au B9 Br4 N4 O2 P2 -","- C192 H368 Au8 B72 Br32 N32 O16 P16 -","8","2","","Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier","Ligand-enabled oxidation of gold(I) complexes with o-quinones","Chemical Science","2022","","","","","10.1039/D2SC03724F","","","0.71073","MoKα","","0.0582","0.0346","","","0.0711","0.0793","","","","","","1.063","","","","has coordinates","277082","2022-08-05","22:06:06",""
"1567427","34.5469","0.0017","10.0066","0.0006","22.7409","0.0013","90","","95.0516","0.0019","90","","7830.9","0.8","193","2","193","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H41 Au Br4 Cl F6 N O2 P Sb -","- C34.5 H41 Au Br4 Cl F6 N O2 P Sb -","- C276 H328 Au8 Br32 Cl8 F48 N8 O16 P8 Sb8 -","8","1","","Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier","Ligand-enabled oxidation of gold(I) complexes with o-quinones","Chemical Science","2022","","","","","10.1039/D2SC03724F","","","0.71073","MoKα","","0.0337","0.0242","","","0.0476","0.0505","","","","","","1.058","","","","has coordinates,has disorder","277082","2022-08-05","22:06:07",""
"1567428","34.1585","0.0018","9.9683","0.0006","22.6313","0.0013","90","","95.446","0.002","90","","7671.2","0.8","193","2","193","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H41 Au Cl5 F6 N O2 P Sb -","- C34.5 H41 Au Cl5 F6 N O2 P Sb -","- C276 H328 Au8 Cl40 F48 N8 O16 P8 Sb8 -","8","1","","Szalóki, György; Babinot, Julien; Martin-Diaconescu, Vlad; Mallet-Ladeira, Sonia; García-Rodeja, Yago; Karinne, Miqueu; Bourissou, Didier","Ligand-enabled oxidation of gold(I) complexes with o-quinones","Chemical Science","2022","","","","","10.1039/D2SC03724F","","","0.71073","MoKα","","0.0275","0.0211","","","0.0398","0.0414","","","","","","1.088","","","","has coordinates","277082","2022-08-05","22:06:07",""
"1567429","9.2426","0.0006","18.4473","0.0014","35.708","0.004","90","","90","","90","","6088.3","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C160 H96 Cl32 N64 Na16 O112 Pd8 -","8","1","","Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata","Non-directed Pd-catalysed electrooxidative olefination of arenes","Chemical Science","2022","13","32","9432","9439","10.1039/D2SC03288K","","","0.71073","MoKα","","0.1709","0.1177","","","0.2428","0.2701","","","","","","1.114","","","","has coordinates","277652","2022-09-06","09:52:11",""
"1567430","11.6876","0.001","24.898","0.003","13.833","0.002","90","","90","","90","","4025.4","0.8","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H13 N O Si -","- C8 H13 N O Si -","- C128 H208 N16 O16 Si16 -","16","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0478","0.0419","","","0.1136","0.1205","","","","","","1.074","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567431","6.6079","0.0007","7.2078","0.0006","11.1025","0.0012","90","","97.954","0.009","90","","523.71","0.09","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 N S Si -","- C8 H13 N S Si -","- C16 H26 N2 S2 Si2 -","2","0.5","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0354","0.033","","","0.0914","0.0948","","","","","","1.106","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567432","12.7881","0.0006","10.7211","0.0006","18.6634","0.0008","90","","90.247","0.004","90","","2558.8","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 Si -","- C12 H14 N2 O2 Si -","- C96 H112 N16 O16 Si8 -","8","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0849","0.046","","","0.0965","0.1112","","","","","","1.045","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567433","9.7145","0.0004","11.5896","0.0005","12.9509","0.0006","73.601","0.003","89.903","0.003","85.998","0.003","1395.13","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 S2 Si -","- C12 H14 N2 S2 Si -","- C48 H56 N8 S8 Si4 -","4","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.031","0.0293","","","0.0779","0.0793","","","","","","1.058","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567434","6.1626","0.0002","8.8822","0.0003","26.4639","0.0009","88.692","0.003","88.561","0.003","81.453","0.003","1431.76","0.08","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H18 N2 O2 Si -","- C22 H18 N2 O2 Si -","- C66 H54 N6 O6 Si3 -","3","3","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0443","0.0389","","","0.1002","0.1061","","","","","","1.057","","","","has coordinates,has disorder","277147","2022-08-06","19:38:03",""
"1567435","9.4763","0.0008","10.2415","0.0008","11.1044","0.0008","96.698","0.006","114.442","0.006","90.107","0.006","972.92","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C44 H36 N4 S4 Si2 -","2","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0367","0.0313","","","0.0794","0.0837","","","","","","1.102","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567436","12.3581","0.0004","12.704","0.0004","12.5693","0.0004","90","","90.262","0.002","90","","1973.33","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C88 H72 N8 S8 Si4 -","4","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0533","0.0389","","","0.0847","0.0905","","","","","","1.042","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567437","10.9877","0.0005","19.5766","0.0009","9.7361","0.0005","90","","97.501","0.004","90","","2076.33","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C88 H72 N8 S8 Si4 -","4","0.5","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.069","0.0429","","","0.0913","0.1001","","","","","","1.081","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567438","9.7034","0.0009","11.2023","0.0009","13.2853","0.0013","73.607","0.007","72.232","0.007","82.511","0.007","1317.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 S2 Si -","- C25.5 H22 N2 S2 Si -","- C51 H44 N4 S4 Si2 -","2","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0563","0.0365","","","0.0861","0.0929","","","","","","1.043","","","","has coordinates,has disorder","277147","2022-08-06","19:38:03",""
"1567439","9.3339","0.0019","9.6044","0.0018","14.535","0.003","81.54","0.006","78.191","0.006","89.814","0.006","1261.1","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C50 H80 N4 O8 -","2","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1553","0.0938","","","0.2134","0.25","","","","","","1.035","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567440","37.83","0.02","4.929","0.003","12.845","0.007","90","","97.014","0.013","90","","2377","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H40 N2 O5 -","- C23 H40 N2 O5 -","- C92 H160 N8 O20 -","4","1","","Mondal, Debashis; Dandekar, Bhupendra R.; Ahmad, Manzoor; Mondal, Abhishek; Mondal, Jagannath; Talukdar, Pinaki","Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array","Chemical Science","2022","13","33","9614","9623","10.1039/D2SC01737G","","","0.71073","MoKα","","0.1303","0.0668","","","0.1355","0.1804","","","","","","0.996","","","","has coordinates","277664","2022-09-06","09:58:36",""
"1567442","9.6054","0.0003","19.7203","0.0006","20.7848","0.0006","104.662","0.001","92.247","0.001","90.183","0.001","3805.6","0.2","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H63 Fe N3 -","- C41 H63 Fe N3 -","- C164 H252 Fe4 N12 -","4","2","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0523","0.0438","","","0.1065","0.1105","","","","","","1.046","","","","has coordinates","277659","2022-09-06","09:56:48",""
"1567443","8.9896","0.0005","9.3153","0.0005","10.4649","0.0006","74.635","0.003","87.557","0.003","62.337","0.002","745.1","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","- C32 H52 Li2 N2 -","1","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0872","0.0659","","","0.153","0.1638","","","","","","1.074","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567444","9.3375","0.0014","15.828","0.002","21.069","0.003","90","","96.519","0.008","90","","3093.7","0.8","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Fe N2 -","- C32 H52 Fe N2 -","- C128 H208 Fe4 N8 -","4","0.5","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.1414","0.1255","","","0.321","0.329","","","","","","1.176","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567445","9.9409","0.001","36.563","0.004","10.6275","0.0011","90","","95.047","0.003","90","","3847.8","0.7","151","2","151","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 Fe N3 -","- C42 H67 Fe N3 -","- C168 H268 Fe4 N12 -","4","1","","Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi","Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization","Chemical Science","2022","13","33","9637","9643","10.1039/D2SC02699F","","","0.71073","MoKα","","0.0738","0.0482","","","0.1012","0.1107","","","","","","1.037","","","","has coordinates","277659","2022-09-06","09:56:52",""
"1567446","20.6047","0.0009","11.4378","0.0005","10.1417","0.0005","90","","92.408","0.004","90","","2388.01","0.19","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N2 O2 -","- C29 H33 N2 O2 -","- C116 H132 N8 O8 -","4","1","","Yang, Zhi-Wen; Chen, Jin-Mei; Qiu, Li-Qi; Xie, Wen-Jun; He, Liang-Nian","Solar energy-driven electrolysis with molecular catalysts for the reduction of carbon dioxide coupled with the oxidation of 5-hydroxymethylfurfural","Catalysis Science & Technology","2022","12","18","5495","5500","10.1039/D2CY01195F","","x-ray","0.71073","MoKα","","0.0873","0.0649","","","0.1663","0.176","","","","","","1.018","","","","has coordinates","278394","2022-10-07","00:37:31",""
"1567447","9.9788","0.0003","15.3329","0.0005","19.7187","0.0006","90","","90","","90","","3017.04","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 B N3 O2 -","- C40 H26 B N3 O2 -","- C160 H104 B4 N12 O8 -","4","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.0303","0.0295","","","0.0691","0.0697","","","","","","1.069","","","","has coordinates","277660","2022-09-06","09:57:03",""
"1567448","13.375","0.0004","6.5182","0.0002","18.2995","0.0006","90","","98.281","0.001","90","","1578.73","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H28 B Cl2 N3 O2 -","- C40 H28 B Cl2 N3 O2 -","- C80 H56 B2 Cl4 N6 O4 -","2","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.049","0.0463","","","0.1279","0.1302","","","","","","1.053","","","","has coordinates,has disorder","277660","2022-09-06","09:57:06",""
"1567449","11.298","0.004","14.164","0.006","15.698","0.005","71.621","0.01","71.685","0.018","73.388","0.012","2214","1.4","106","2","106","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","- C58 H4 Al2 F80 O22 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0217","0.0192","","","0.0453","0.0463","","","","","","1.017","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567450","11.283","0.003","14.143","0.003","15.714","0.003","71.674","0.009","71.73","0.007","73.486","0.009","2211.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14 -","- C2.7619 H0.190476 Al0.0952381 F3.80952 O1.04762 Os0.142857 -","- C58 H4 Al2 F80 O22 Os3 -","21","10.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0411","","","0.0665","0.0713","","","","","","1","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567451","15.639","0.014","15.156","0.014","41.36","0.04","90","","95.87","0.02","90","","9752","16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 Al F36 N O17 Ru4 -","- C29 Al F36 N O17 Ru4 -","- C232 Al8 F288 N8 O136 Ru32 -","8","2","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0889","0.0436","","","0.074","0.0867","","","","","","1.005","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567452","14.514","0.009","10.566","0.006","18.161","0.011","90","","98.81","0.03","90","","2752","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 Al2 Cl2 F63 O6 -","- C38 Al2 Cl2 F63 O6 -","- C76 Al4 Cl4 F126 O12 -","2","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0542","0.0421","","","0.0993","0.1061","","","","","","1.072","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567453","11.81","0.004","12.939","0.002","19.507","0.005","102.689","0.009","103.941","0.014","92.667","0.009","2806.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","- C68 H2 Al4 F114 O26 Os3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0672","0.0415","","","0.0901","0.102","","","","","","1.003","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567454","18.581","0.003","13.756","0.002","16.816","0.003","90","","90","","90","","4298.2","1.2","109","2","109","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 Al F36 I3 O10 Ru2 -","- C21.675 Al F36 I3 O10 Ru2 -","- C86.7 Al4 F144 I12 O40 Ru8 -","4","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0604","0.0528","","","0.1077","0.1107","","","","","","1.193","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567455","20.504","0.004","17.81","0.003","25.217","0.008","90","","107.09","0.02","90","","8802","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H3 Ag Al2 F61 O30 Os6 -","- C56.996 H3 Ag Al2 F60.991 O29.999 Os6 -","- C227.984 H12 Ag4 Al8 F243.964 O119.996 Os24 -","4","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0587","0.042","","","0.0881","0.0965","","","","","","1.124","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567456","13.768","0.0016","13.768","0.0016","9.5388","0.0012","90","","90","","90","","1808.2","0.4","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 I O9 Ru -","- C21 Al F36 I O9 Ru -","- C42 Al2 F72 I2 O18 Ru2 -","2","0.25","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0288","0.025","","","0.0648","0.0676","","","","","","1.073","","","","has coordinates","277655","2022-09-06","09:55:50",""
"1567457","11.819","0.003","12.94","0.003","19.477","0.005","102.636","0.012","103.912","0.017","92.736","0.017","2805.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","- C68 H2 Al4 F114 O26 Ru3 -","1","0.5","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0513","0.0382","","","0.0869","0.0962","","","","","","1.032","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567458","12.349","0.006","12.385","0.004","23.041","0.01","90.85","0.02","94.031","0.01","93.152","0.013","3509","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H2 Ag Al F40 O28 Ru6 -","- C46 H2 Ag Al F40 O28 Ru6 -","- C92 H4 Ag2 Al2 F80 O56 Ru12 -","2","1","","Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo","Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation","Chemical Science","2022","13","32","9147","9158","10.1039/D2SC02358J","","x-ray","0.71073","MoKα","","0.0723","0.0495","","","0.0955","0.1053","","","","","","1.07","","","","has coordinates,has disorder","277655","2022-09-06","09:55:50",""
"1567459","5.4537","0.0005","38.527","0.004","15.1042","0.0015","90","","93.702","0.004","90","","3167","0.5","300","2","300","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3.35 H4.54 I0.11 N0.22 O0.16 -","- C3.35135 H4.54054 I0.108108 N0.216216 O0.432432 -","- C124 H168 I4 N8 O16 -","37","9.25","","Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J.","Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals","Chemical Science","2022","","","","","10.1039/D2SC03343G","","","0.71073","MoKα","","0.147","0.1088","","","0.2553","0.2799","","","","","","1.141","","","","has coordinates","277194","2022-08-10","22:13:26",""
"1567460","5.69","0.0004","8.341","0.0006","17.5111","0.0012","79.981","0.003","82.483","0.002","89.991","0.002","811.16","0.1","299","2","299","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H5 Br0.12 I0.12 N0.25 O0.5 -","- C4 H5 Br0.125 I0.125 N0.25 O0.5 -","- C32 H40 Br I N2 O4 -","8","8","","Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J.","Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals","Chemical Science","2022","","","","","10.1039/D2SC03343G","","","0.71073","MoKα","","0.067","0.051","","","0.1409","0.157","","","","","","1.014","","","","has coordinates","277194","2022-08-10","22:13:27",""
"1567461","9.0815","0.0002","11.6927","0.0002","14.7988","0.0003","90","","102.05","0.001","90","","1536.82","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido","Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization","Chemical Science","2022","13","33","9749","9754","10.1039/D2SC03860A","","single crystal","1.54178","CuKα","","0.0413","0.0337","","","0.0813","0.0861","","","","","","1.044","","","","has coordinates","277658","2022-09-06","09:56:34",""
"1567462","10.4604","0.0006","17.5579","0.0011","14.6107","0.0009","90","","91.861","0.002","90","","2682","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Fe N4 O2 P4 -","- C20 H42 Fe N4 O2 P4 -","- C80 H168 Fe4 N16 O8 P16 -","4","1","","Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P.","Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates","Chemical Science","2022","","","","","10.1039/D2SC03802A","","","0.71073","MoKα","","0.0453","0.0403","","","0.0911","0.0932","","","","","","1.196","","","","has coordinates,has disorder","277207","2022-08-11","22:06:03",""
"1567463","8.9533","0.0002","10.1488","0.0003","13.3681","0.0004","90.181","0.002","106.444","0.003","106.68","0.002","1111.27","0.06","119.99","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H38 Fe O P4 -","- C17 H38 Fe O P4 -","- C34 H76 Fe2 O2 P8 -","2","1","","Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P.","Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates","Chemical Science","2022","","","","","10.1039/D2SC03802A","","x-ray","0.71073","MoKα","","0.0503","0.039","","","0.0707","0.0743","","","","","","1.094","","","","has coordinates","277207","2022-08-11","22:06:05",""
"1567464","14.6983","0.0003","17.3967","0.0003","17.9529","0.0004","90","","108.957","0.002","90","","4341.61","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Fe O P4 -","- C16 H38 Fe O P4 -","- C128 H304 Fe8 O8 P32 -","8","2","","Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P.","Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates","Chemical Science","2022","","","","","10.1039/D2SC03802A","","x-ray","0.71073","MoKα","","0.0494","0.0336","","","0.0689","0.0754","","","","","","1.043","","","","has coordinates,has disorder","277207","2022-08-11","22:06:05",""
"1567465","17.3779","0.0009","5.2454","0.0003","19.4069","0.001","90","","108.694","0.003","90","","1675.69","0.16","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N2 O2 -","- C44 H46 N2 O2 -","- C88 H92 N4 O4 -","2","0.5","","Fei, Xian; Zhang, San; Zhai, Dong; Wang, Zhiwei; Lin, Jin-Liang; Xiao, Qi; Sun, Chun-Lin; Deng, Weiqiao; Zhang, Chunfeng; Hu, Wenping; Zhang, Hao-Li","Flavanthrene derivatives as photostable and efficient singlet exciton fission materials","Chemical Science","2022","","","","","10.1039/D2SC00263A","","","1.54178","CuKα","","0.108","0.0837","","","0.2201","0.2462","","","","","","1.05","","","","has coordinates,has disorder","277218","2022-08-12","22:13:44",""
"1567466","22.2142","0.0014","22.2142","0.0014","12.977","0.002","90","","90","","120","","5545.8","1","123","2","123.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C95 H78 N6 O6 -","- C95.001 H78.0024 N6 O6 -","- C285.003 H234.007 N18 O18 -","3","0.166667","","Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro","N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation","Chemical Science","2022","","","","","10.1039/D2SC02647C","","x-ray","0.71073","MoKα","","0.1804","0.0815","","","0.1882","0.2443","","","","","","0.988","","","","has coordinates,has disorder","277219","2022-08-12","22:14:32",""
"1567467","32.5289","0.0011","13.8777","0.0004","32.5269","0.0015","90","","96.618","0.004","90","","14585.7","0.9","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C79 H55.5 B Cl2 F20 N3 O3 -","- C79 H55.5 B Cl2 F20 N3 O3 -","- C632 H444 B8 Cl16 F160 N24 O24 -","8","1","","Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro","N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation","Chemical Science","2022","","","","","10.1039/D2SC02647C","","x-ray","0.71073","MoKα","","0.2728","0.1162","","","0.3059","0.3935","","","","","","1.021","","","","has coordinates,has disorder","277219","2022-08-12","22:14:32",""
"1567468","10.4183","0.0001","17.4812","0.0002","34.5651","0.0002","85.025","0.001","89.306","0.001","73.296","0.001","6006.25","0.1","220.1","0.8","220.1","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C133.5 H147 Cl2 N7 Pt2 -","- C133.5 H147 Cl2 N7 Pt2 -","- C267 H294 Cl4 N14 Pt4 -","2","1","","Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong","Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation","Chemical Science","2022","","","","","10.1039/D2SC03238D","","x-ray","1.54184","CuKα","","0.0637","0.0559","","","0.1484","0.1547","","","","","","1.096","","","","has coordinates,has disorder","277220","2022-08-12","22:15:49",""
"1567469","9.3273","0.0004","15.4601","0.0006","34.2082","0.001","90.976","0.003","92.533","0.003","95.704","0.003","4902.5","0.3","220","0.8","220","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C104 H141 I N6 O4 Zn -","- C98 H123 I N6 O2 Zn -","- C196 H246 I2 N12 O4 Zn2 -","2","1","","Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong","Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation","Chemical Science","2022","","","","","10.1039/D2SC03238D","","x-ray","1.54184","CuKα","","0.1373","0.1157","","","0.3237","0.3407","","","","","","1.042","","","","has coordinates,has disorder","277220","2022-08-12","22:15:49",""
"1567470","15.4224","0.0002","18.4372","0.0002","18.7956","0.0003","68.623","0.001","81.391","0.001","81.851","0.001","4898.58","0.12","99.9","0.3","99.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C112.5 H123 Cl2 N7 Ni Pt -","- C95 H103 Cl2 N7 Ni Pt -","- C190 H206 Cl4 N14 Ni2 Pt2 -","2","1","","Moss, Austen; Jang, Youngwoo B.; Arvidson, Jacob; Nesterov, Vladimir; D'Souza, Francis; Wang, Hong","Aromatic Heterobicycle-Fused Porphyrins: Impact on Aromaticity and Excited State Electron Transfer Leading to Long-Lived Charge Separation","Chemical Science","2022","","","","","10.1039/D2SC03238D","","x-ray","1.54184","CuKα","","0.1309","0.1288","","","0.3035","0.3046","","","","","","1.059","","","","has coordinates,has disorder","277220","2022-08-12","22:15:50",""
"1567471","21.573","0.004","22.578","0.005","12.562","0.003","90","","124.63","0.03","90","","5035","3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C19.18 H36.23 F2 Ge5.99 N4.26 O80 Si34.01 -","- C19.26 H36.38 F2 Ge6.436 N4.28 O80 Si33.564 -","- C38.52 H72.76 F4 Ge12.872 N8.56 O160 Si67.128 -","2","0.25","","Kemp, Kingsley Christian; Choi, Wanuk; Jo, Donghui; Park, Sung Hwan; Hong, Suk Bong","Synthesis and structure of the medium-pore zeolite PST-35 with two interconnected cages of unusual orthorhombic shape","Chemical Science","2022","","","","","10.1039/D2SC03628B","","","0.95116","synchrotron","","0.0804","0.0685","","","0.2137","0.2269","","","","","","1.111","","","","has coordinates","277245","2022-08-15","22:07:04",""
"1567472","8.7008","0.0004","6.01","0.0003","17.1614","0.0009","90","","93.687","0.005","90","","895.54","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 S -","- C12 H8 S -","- C48 H32 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.0494","0.0362","","","0.0896","0.1035","","","","","","1.087","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567473","3.9779","0.0002","12.1736","0.0004","20.4259","0.0007","90","","90","","90","","989.13","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Br S -","- C12 H7 Br S -","- C48 H28 Br4 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.0418","0.0315","","","0.0728","0.0802","","","","","","1.042","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567474","8.7011","0.0005","6.0075","0.0003","17.151","0.0009","90","","93.695","0.005","90","","894.65","0.08","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 S -","- C12 H8 S -","- C48 H32 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.1666","0.1433","","","0.4136","0.4727","","","","","","1.541","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567475","3.9868","0.0003","12.1976","0.0007","20.447","0.0011","90","","90","","90","","994.33","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Br S -","- C12 H7 Br S -","- C48 H28 Br4 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.1245","0.1028","","","0.294","0.358","","","","","","1.204","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567476","15.4863","0.0002","16.5824","0.0003","22.2267","0.0002","90","","90","","90","","5707.82","0.14","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc43","","- C62 H49 F12.1 N6 Ni2 O6 -","- C62 H49 F12.099 N6 Ni2 O6 -","- C248 H196 F48.396 N24 Ni8 O24 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.081","0.081","","","","","","1.059","","","","has coordinates,has disorder","277657","2022-09-06","09:56:23",""
"1567477","6.2917","0.0004","16.636","0.001","9.166","0.0007","90","","102.361","0.008","90","","937.15","0.11","145","","145","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C8 H8 F6 O2 -","- C8 H8 F6 O2 -","- C32 H32 F24 O8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0553","0.0552","","","0.1525","0.1527","","","","","","1.12","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567478","11.0205","0.0001","13.9185","0.0001","19.0776","0.0002","90","","90","","90","","2926.29","0.05","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc79b1f2","","- C31 H25 F7 N3 Ni O3 -","- C31 H25 F7 N3 Ni O3 -","- C124 H100 F28 N12 Ni4 O12 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","","1.54184","CuKα","","0.0309","0.0303","","","0.0812","0.0816","","","","","","1.039","","","","has coordinates,has disorder","277657","2022-09-06","09:56:24",""
"1567479","13.7855","0.0012","5.6753","0.0006","11.6678","0.001","90","","103.923","0.008","90","","886.03","0.15","145","","145","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F6 N2 -","- C7 H4 F6 N2 -","- C28 H16 F24 N8 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0931","0.079","","","0.2405","0.2569","","","","","","1.076","","","","has coordinates","277657","2022-09-06","09:56:24",""
"1567480","18.1467","0.0015","14.4007","0.0013","32.924","0.003","90","","95.169","0.003","90","","8568.9","1.3","150","2","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N6 O -","- C48 H38 N6 O -","- C384 H304 N48 O8 -","8","1","","Qu, Jiamin; Zhang, Yahui; Cai, Zhengxu; Tong, Bin; Xie, Hai-Yan; Dong, Yuping; Shi, Jianbing","An Acceptor-Shielding Strategy of Photosensitizer for Enhancing the Generation Efficiency of Type I Reactive Oxygen Species and the Related Photodynamic Immunotherapy","Nanoscale","2022","","","","","10.1039/D2NR02273G","","","1.34139","GaKα","","0.0866","0.0552","","","0.1499","0.1704","","","","","","1.038","","","","has coordinates","277254","2022-08-16","00:04:27",""
"1567481","14.234","0.002","19.457","0.003","12.568","0.002","90","","100.195","0.007","90","","3425.8","0.9","151","2","151","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 B N3 -","- C48 H30 B N3 -","- C192 H120 B4 N12 -","4","1","","He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong","Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.","Materials horizons","2022","9","11","2818","2823","10.1039/d2mh00856d","","","0.71073","MoKα","","0.0749","0.0503","","","0.1126","0.1277","","","","","","1.026","","","","has coordinates","279030","2022-11-07","05:56:28",""
"1567482","27.5838","0.0011","9.1201","0.0004","19.3361","0.0009","90","","124.586","0.001","90","","4004.7","0.3","302","2","302","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 B N3 -","- C54 H42 B N3 -","- C216 H168 B4 N12 -","4","0.5","","He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong","Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.","Materials horizons","2022","9","11","2818","2823","10.1039/d2mh00856d","","","0.71073","MoKα","","0.0946","0.046","","","0.0994","0.1185","","","","","","1.029","","","","has coordinates","279030","2022-11-07","05:56:28",""
"1567483","8.0404","0.0002","9.2472","0.0003","11.6115","0.0004","85.805","0.002","74.493","0.003","77.63","0.002","812.47","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Sun, Xi-Shang; Diao, Xin-Yu; Dong, Xiu-Qin; Wang, Chun-Jiang","Base-Promoted Cascade β-F-Elimination/Electrocyclization/Diels-Alder/Retro-Diels-Alder Reaction: Efficient Access to δ-Carboline Derivatives","Chemical Science","2022","","","","","10.1039/D2SC03166C","","x-ray","1.54184","CuKα","","0.0329","0.0326","","","0.0819","0.0822","","","","","","1.036","","","","has coordinates","277259","2022-08-16","22:03:01",""
"1567484","10.4381","0.0004","17.2549","0.0014","20.9737","0.0014","108.139","0.006","90.02","0.02","107.606","0.002","3403","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F2 N2 O3 -","- C20 H16 F2 N2 O3 -","- C160 H128 F16 N16 O24 -","8","4","","Sun, Xi-Shang; Diao, Xin-Yu; Dong, Xiu-Qin; Wang, Chun-Jiang","Base-Promoted Cascade β-F-Elimination/Electrocyclization/Diels-Alder/Retro-Diels-Alder Reaction: Efficient Access to δ-Carboline Derivatives","Chemical Science","2022","","","","","10.1039/D2SC03166C","","x-ray","0.71073","MoKα","","0.0699","0.0493","","","0.1039","0.1163","","","","","","1.04","","","","has coordinates","277259","2022-08-16","22:03:02",""
"1567485","25.48","0.003","23.024","0.003","39.629","0.004","90","","90.666","0.002","90","","23247","5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C143 H198 Dy6 N43 O75 -","- C143 H198 Dy6 N43 O75 -","- C572 H792 Dy24 N172 O300 -","4","1","","Li, Xiao-Lei; Zhao, Lang; Wu, Jianfeng; Shi, Wei; Struch, Niklas; Lützen, Arne; Powell, Annie K.; Cheng, Peng; Tang, Jinkui","Subcomponent self-assembly of circular helical Dy6(L)6 and bipyramid Dy12(L)8 architectures directed via second-order template effects","Chemical Science","2022","","","","","10.1039/D2SC03156F","","","0.71073","MoKα","","0.1076","0.0578","","","0.1417","0.1678","","","","","","1.019","","","","has coordinates","277260","2022-08-16","22:04:13",""
"1567486","32.0539","0.0006","32.0539","0.0006","56.6487","0.0017","90","","90","","90","","58204","2","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C224 H222 Dy12 N50 Na4 O94 -","- C224 H222 Dy12 N50 Na4 O94 -","- C1792 H1776 Dy96 N400 Na32 O752 -","8","0.25","","Li, Xiao-Lei; Zhao, Lang; Wu, Jianfeng; Shi, Wei; Struch, Niklas; Lützen, Arne; Powell, Annie K.; Cheng, Peng; Tang, Jinkui","Subcomponent self-assembly of circular helical Dy6(L)6 and bipyramid Dy12(L)8 architectures directed via second-order template effects","Chemical Science","2022","","","","","10.1039/D2SC03156F","","","0.71073","MoKα","","0.1725","0.0807","","","0.204","0.2833","","","","","","1.023","","","","has coordinates,has disorder","277260","2022-08-16","22:04:14",""
"1567487","6.2635","0.0005","11.4411","0.001","20.8675","0.0018","90","","90","","90","","1495.4","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Lai, Junshan; Reid, Jolene P.","Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis","Chemical Science","2022","13","37","11065","11073","10.1039/D2SC02171D","","x-ray","1.54178","CuKα","","0.0294","0.0262","","","0.0591","0.062","","","","","","1.057","","","","has coordinates","278410","2022-10-07","00:48:56",""
"1567491","23.213","0.005","6.0771","0.0002","30.525","0.006","90","","151.09","0.05","90","","2082","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Gurung, Bikram; Pradhan, Sajan; Sharma, Debesh; Bhujel, Deshaj; Basel, Siddhant; Chettri, Shivanand; Rasaily, Sagarmani; Pariyar, Anand; Tamang, Sudarsan","CsPbBr3 perovskite quantum dots as a visible light photocatalyst for cyclisation of diamines and amino alcohols: an efficient approach to synthesize imidazolidines, fused-imidazolidines and oxazolidines","Catalysis Science & Technology","2022","12","19","5891","5898","10.1039/D2CY00799A","","","1.54184","CuKα","","0.069","0.0585","","","0.1673","0.1886","","","","","","1.039","","","","has coordinates","278391","2022-10-07","00:37:04",""
"1567492","8.5951","0.0004","13.507","0.0007","25.5281","0.001","90","","99.612","0.003","90","","2922.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F5 N3 O -","- C33 H27 B F5 N3 O -","- C132 H108 B4 F20 N12 O4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","x-ray","1.54178","CuKα","","0.0897","0.0521","","","0.1238","0.1453","","","","","","1.026","","","","has coordinates","277303","2022-08-18","22:07:33",""
"1567493","14.1129","0.0002","16.9245","0.0003","15.4437","0.0003","90","","111.527","0.001","90","","3431.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H38 B F5 N3 O -","- C39 H38 B F5 N3 O -","- C156 H152 B4 F20 N12 O4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","x-ray","1.54178","CuKα","","0.0744","0.0568","","","0.1407","0.1534","","","","","","1.046","","","","has coordinates,has disorder","277304","2022-08-18","22:07:59",""
"1567494","23.5399","0.0008","23.5399","0.0008","24.957","0.0011","90","","90","","90","","13829.3","0.9","102","2","102","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39 H38 B F5 N3 O -","- C39 H38 B F5 N3 O -","- C624 H608 B16 F80 N48 O16 -","16","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","","0.71073","MoKα","","0.0555","0.0422","","","0.0926","0.0995","","","","","","1.03","","","","has coordinates","277305","2022-08-18","22:08:29",""
"1567495","16.5547","0.0005","10.2914","0.0004","20.8535","0.0008","90","","110.198","0.001","90","","3334.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 B F5 N3 O -","- C39 H39 B F5 N3 O -","- C156 H156 B4 F20 N12 O4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","x-ray","0.71073","MoKα","","0.0597","0.048","","","0.0973","0.1025","","","","","","1.092","","","","has coordinates","277306","2022-08-18","22:08:56",""
"1567496","10.2547","0.0002","17.4775","0.0004","16.6351","0.0004","90","","98.497","0.001","90","","2948.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 B F6 N2 -","- C33 H33 B F6 N2 -","- C132 H132 B4 F24 N8 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","single crystal","0.71073","MoKα","","0.0515","0.0385","","","0.0914","0.1006","","","","","","1.037","","","","has coordinates","277307","2022-08-18","22:09:23",""
"1567497","9.5222","0.0003","18.1892","0.0005","19.3469","0.0005","90","","94.624","0.002","90","","3340","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 B F5 N3 O -","- C39 H39 B F5 N3 O -","- C156 H156 B4 F20 N12 O4 -","4","1","","Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction","Chemical Science","2022","","","","","10.1039/D2SC02485C","","x-ray","1.54178","CuKα","","0.0599","0.0416","","","0.097","0.1064","","","","","","1.023","","","","has coordinates","277308","2022-08-18","22:09:55",""
"1567498","8.6461","0.0002","14.5796","0.0003","15.3848","0.0003","99.024","0.002","95.585","0.002","104.779","0.002","1832.74","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H46 Cl2 N2 O2 -","- C45 H46 Cl2 N2 O2 -","- C90 H92 Cl4 N4 O4 -","2","1","","Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin","Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system","Chemical Science","2022","","","","","10.1039/D2SC03342A","","","1.54184","CuKα","","0.0404","0.0397","","","0.1099","0.1105","","","","","","1.06","","","","has coordinates,has disorder","277310","2022-08-18","22:10:59",""
"1567499","11.8808","0.0012","10.3821","0.001","42.031","0.004","90","","90","","90","","5184.4","0.9","130","0.5","130","0.5","","","","","","","","4","P b c n","-P 2n 2ab","60","","6-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2-(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C63.4 H61 N3 O2 -","- C63.4 H61 N3 O2 -","- C253.6 H244 N12 O8 -","4","0.5","","Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin","Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system","Chemical Science","2022","","","","","10.1039/D2SC03342A","","","0.71073","MoKα","","0.1093","0.0977","","","0.2757","0.2877","","","","","","1.08","","","","has coordinates,has disorder","277310","2022-08-18","22:11:00",""
"1567500","17.2674","0.0006","9.762","0.0003","22.2538","0.0007","90","","108.27","0.003","90","","3562.1","0.2","99.95","0.16","99.95","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2-(2,6-diisopropylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C44 H46 N2 O2 -","- C44 H46 N2 O2 -","- C176 H184 N8 O8 -","4","1","","Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin","Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system","Chemical Science","2022","","","","","10.1039/D2SC03342A","","x-ray","1.54184","CuKα","","0.0942","0.0764","","","0.1827","0.1932","","","","","","1.0543","","","","has coordinates,has disorder","277310","2022-08-18","22:11:00",""
"1567501","8.478","0.0011","10.5773","0.0017","14.5191","0.0019","95.81","0.012","105.762","0.012","110.651","0.014","1144.1","0.3","170.1","0.5","170.1","0.5","","","","","","","","6","P -1","-P 1","2","4-Hexenylthiazole orange iodide monohydrate","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","","- C24 H27 I N2 O S -","- C24 H27 I N2 O S -","- C48 H54 I2 N4 O2 S2 -","2","1","HB4408","Shank, Nathaniel; Stadler, Andrea L.; Barrett, Sean P.; Padgett, Clifford W.","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","IUCrData","2022","7","8","x220797","","10.1107/S2414314622007970","","x-ray","0.71073","MoKα","","0.1233","0.0601","","","0.1337","0.1711","","","","","","1.03","","","","has coordinates,has Fobs","277319","2022-08-19","01:55:47",""
"1567502","11.0961","0.0004","9.9627","0.0003","22.3275","0.0006","90","","94.43","0.001","90","","2460.87","0.13","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 O4 -","- C32 H22 N6 O4 -","- C128 H88 N24 O16 -","4","1","","Hamsath, Akil; Lederberg, Oren L.; Cui, Qi; Shieh, Meg; Lam, Yannie; Brummett, Brock J.; Xu, Shi; Robinson, Jerome R.; Xian, Ming","Intramolecular tetrazine-acryloyl cycloaddition: chemistry and applications","Chemical Science","2022","","","","","10.1039/D2SC04331A","","","0.71073","MoKα","","0.0446","0.0387","","","0.0984","0.1027","","","","","","1.031","","","","has coordinates","277328","2022-08-19","22:18:41",""
"1567503","8.1943","0.0004","21.1329","0.0009","16.5436","0.0006","90","","90","","90","","2864.8","0.2","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl2 N8 O8 Ru -","- C26 H22 Cl2 N8 O8 Ru -","- C104 H88 Cl8 N32 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0732","0.0622","","","0.1665","0.2083","","","","","","1.129","","","","has coordinates","278984","2022-11-07","05:24:27",""
"1567504","17.8962","0.0005","10.2796","0.0003","15.9597","0.0005","90","","90.899","0.001","90","","2935.68","0.15","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl2 N10 O8 Ru -","- C24 H24 Cl2 N10 O8 Ru -","- C96 H96 Cl8 N40 O32 Ru4 -","4","0.5","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0413","0.0366","","","0.1199","0.1283","","","","","","1.141","","","","has coordinates","278984","2022-11-07","05:24:28",""
"1567505","8.2606","0.0004","10.798","0.0005","20.5518","0.001","77.5866","0.0017","84.0528","0.0019","84.8406","0.0018","1776.36","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 F12 N9 P2 Ru -","- C30 H29 F12 N9 P2 Ru -","- C60 H58 F24 N18 P4 Ru2 -","2","1","","Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung","Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts","Energy & Environmental Science","2022","15","10","4259","4288","10.1039/D2EE01128J","","","0.71073","MoKα","","0.0549","0.0383","","","0.0796","0.0875","","","","","","1.066","","","","has coordinates,has disorder","278984","2022-11-07","05:24:28",""
"1567506","4.251","0.0002","4.251","0.0002","11.772","0.012","90","","90","","120","","184.23","0.19","293","","293","","103300000","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B Fe O3 -","- B Fe O3 -","- B6 Fe6 O18 -","6","0.166667","","Dong, Weiwei; Glazyrin, Konstantin; Khandarkhaeva, Saiana; Fedotenko, Timofey; Bednarčík, Jozef; Greenberg, Eran; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Liermann, Hanns-Peter","Fe~0.79~Si~0.07~B~0.14~ metallic glass gaskets for high-pressure research beyond 1Mbar","Journal of Synchrotron Radiation","2022","29","5","1167","1179","10.1107/S1600577522007573","","x-ray","0.2898","synchrotron","","0.0576","0.0576","","","0.122","0.122","","","","3.66","3.66","3.66","","","","has coordinates,has Fobs","278499","2022-10-08","16:32:38",""
"1567507","13.85396","0.00012","14.21567","0.00012","14.60645","0.00014","100.275","0.0008","100.655","0.0008","105.286","0.0007","2647.62","0.04","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H50 Cl2 Ir N3 -","- C70 H50 Cl2 Ir N3 -","- C140 H100 Cl4 Ir2 N6 -","2","1","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","1.54184","CuKα","","0.0163","0.0161","","","0.0401","0.0402","","","","","","1.067","","","","has coordinates,has disorder","277345","2022-08-22","22:08:34",""
"1567508","17.7468","0.0011","5.5397","0.0004","7.8676","0.0005","90","","95.986","0.006","90","","769.26","0.09","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N -","- C23 H17 N -","- C46 H34 N2 -","2","0.5","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","1.54184","CuKα","","0.0857","0.0612","","","0.1775","0.2065","","","","","","1.049","","","","has coordinates,has disorder","277345","2022-08-22","22:08:35",""
"1567509","33.9701","0.0005","8.77822","0.00019","18.031","0.0003","90","","98.898","0.0014","90","","5312.08","0.17","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 F4 Ir N3 -","- C34 H22 F4 Ir N3 -","- C272 H176 F32 Ir8 N24 -","8","1","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","1.54184","CuKα","","0.0503","0.0424","","","0.1092","0.1133","","","","","","1.057","","","","has coordinates","277345","2022-08-22","22:08:35",""
"1567510","27.8756","0.0002","12.7084","0.00009","20.40752","0.00014","90","","104.608","0.0007","90","","6995.75","0.09","140.01","0.1","140.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H26 Cl F6 Ir N4 O4 S2 -","- C35.5 H26 Cl F6 Ir N4 O4 S2 -","- C284 H208 Cl8 F48 Ir8 N32 O32 S16 -","8","2","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","1.54184","CuKα","","0.0299","0.029","","","0.0754","0.0761","","","","","","1.082","","","","has coordinates","277345","2022-08-22","22:08:35",""
"1567511","18.08","0.0005","18.3585","0.0007","19.0127","0.0007","68.335","0.003","85.431","0.003","64.368","0.003","5263.6","0.4","139.99","0.1","139.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C69 H48 Ir N3 -","- C69 H48 Ir N3 -","- C276 H192 Ir4 N12 -","4","2","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","1.54184","CuKα","","0.1771","0.1321","","","0.3576","0.3936","","","","","","1.402","","","","has coordinates","277345","2022-08-22","22:08:36",""
"1567512","9.72023","0.00011","9.72023","0.00011","30.5949","0.0005","90","","90","","90","","2890.69","0.07","140","0.1","140","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C33 H24 Ir N3 -","- C33 H24 Ir N3 -","- C132 H96 Ir4 N12 -","4","0.5","","Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay","Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes","Chemical Science","2022","","","","","10.1039/D2SC02808E","","x-ray","0.71073","MoKα","","0.0594","0.0357","","","0.0687","0.072","","","","","","1.043","","","","has coordinates,has disorder","277345","2022-08-22","22:08:36",""
"1567513","17.661","0.003","5.8999","0.0012","17.598","0.003","90","","91.211","0.007","90","","1833.3","0.6","173","2","173.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 -","- C13 H11 -","- C104 H88 -","8","1","","Kurosawa, Miki B.; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative Transformation of Diarylketones","Chemical Science","2022","","","","","10.1039/D2SC03720C","","","1.5418","CuKα","","0.0654","0.0486","","","0.1138","0.1283","","","","","","1.166","","","","has coordinates,has disorder","287927","2023-12-01","08:31:07",""
"1567514","9.9103","0.0012","10.3946","0.0013","10.4347","0.0013","98.955","0.007","91.413","0.006","103.689","0.007","1029.5","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H26 -","- C30 H26 -","- C60 H52 -","2","1","","Kurosawa, Miki B.; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative Transformation of Diarylketones","Chemical Science","2022","","","","","10.1039/D2SC03720C","","","1.5418","CuKα","","0.0816","0.0485","","","0.1124","0.1241","","","","","","0.948","","","","has coordinates","287927","2023-12-01","08:31:08",""
"1567515","7.3391","0.0001","10.8689","0.0002","11.7668","0.0002","90","","96.085","0.001","90","","933.33","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Kurosawa, Miki B.; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro","Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative Transformation of Diarylketones","Chemical Science","2022","","","","","10.1039/D2SC03720C","","x-ray","1.54184","CuKα","","0.0331","0.0315","","","0.0761","0.0773","","","","","","1.043","","","","has coordinates","287927","2023-12-01","08:31:09",""
"1567516","9.7178","0.0003","15.2909","0.0005","15.5463","0.0005","90","","90","","90","","2310.09","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A3","","","- C26 H36 O6 -","- C26 H36 O6 -","- C104 H144 O24 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0331","0.0324","","","0.089","0.0899","","","","","","1.06","","","","has coordinates","277347","2022-08-22","22:11:22",""
"1567517","8.3273","0.0002","13.7746","0.0003","19.8852","0.0005","90","","90","","90","","2280.94","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A4","","","- C26 H34 O5 -","- C26 H34 O5 -","- C104 H136 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0472","0.0438","","","0.1188","0.1217","","","","","","1.077","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567518","8.253","0.0003","12.0228","0.0004","23.2817","0.0007","90","","90","","90","","2310.11","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A2","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0292","0.0289","","","0.0796","0.08","","","","","","1.037","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567519","7.5943","0.0003","14.3966","0.0005","21.25","0.0008","90","","90","","90","","2323.31","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin B3","","","- C26 H40 O5 -","- C26 H40 O5 -","- C104 H160 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0349","0.0328","","","0.0855","0.0866","","","","","","1.08","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567520","8.2802","0.0006","11.1074","0.0008","13.0738","0.0009","90","","90.752","0.002","90","","1202.31","0.15","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","insuetusin B7","","","- C26 H38 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0285","0.0283","","","0.079","0.0792","","","","","","1.036","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567521","10.086","0.0002","15.2512","0.0003","17.1263","0.0003","91.211","0.001","99.494","0.001","98.375","0.001","2567.88","0.09","173","2","173","2","","","","","","","","3","P 1","P 1","1","insuetusin B6","","","- C26.75 H41 O6.75 -","- C26.75 H41 O6.75 -","- C107 H164 O27 -","4","4","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0376","0.036","","","0.0951","0.0966","","","","","","1.08","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567522","10.3091","0.0003","12.7665","0.0004","13.3424","0.0004","107.864","0.001","101.093","0.001","112.099","0.001","1451.17","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 Cl P2 Rh -","- C34 H36 Cl P2 Rh -","- C68 H72 Cl2 P4 Rh2 -","2","2","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0227","0.0203","","","0.0459","0.0469","","","","","","1.03","","","","has coordinates","277359","2022-08-23","22:07:26",""
"1567523","13.1998","0.0004","18.0969","0.0005","24.5076","0.0008","90","","90","","90","","5854.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H72 P4 Rh2 -","- C68 H72 P4 Rh2 -","- C272 H288 P16 Rh8 -","4","1","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0841","0.0427","","","0.0776","0.0912","","","","","","0.701","","","","has coordinates","277359","2022-08-23","22:07:27",""
"1567524","10.8094","0.0003","22.1084","0.0005","24.464","0.0005","90","","90","","90","","5846.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36.5 Cl0.5 P2 Rh -","- C34 H36.5 Cl0.5 P2 Rh -","- C272 H292 Cl4 P16 Rh8 -","8","2","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0288","0.0248","","","0.0566","0.0627","","","","","","1.071","","","","has coordinates,has disorder","277359","2022-08-23","22:07:27",""
"1567525","9.8124","0.0007","10.5313","0.0007","27.852","0.002","90","","90.936","0.002","90","","2877.8","0.3","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O8 S -","- C29 H45 N O8 S -","- C116 H180 N4 O32 S4 -","4","2","","Kukor, Andrew J.; Depner, Noah; Cai, Isabelle; Tucker, John; Culhane, Jeffrey C.; Hein, Jason E.","Enantioselective Synthesis of (-)-Tetrabenazine Via Continuous Crystallization-Induced Diastereomer Transformation","Chemical Science","2022","","","","","10.1039/D2SC01825J","","x-ray","0.71073","MoKα","","0.0424","0.0369","","","0.0889","0.0911","","","","","","1.042","","","","has coordinates","277390","2022-08-24","22:06:11",""
"1567526","6.2887","0.0006","9.7101","0.001","10.801","0.0014","73.723","0.011","77.522","0.01","79.838","0.008","613.42","0.12","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 N2 -","- C28 H36 N2 -","- C28 H36 N2 -","1","0.5","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0947","0.0502","","","0.1062","0.1168","","","","","","0.813","","","","has coordinates","277414","2022-08-26","22:37:53",""
"1567527","11.5971","0.0006","17.179","0.001","5.9922","0.0003","90","","90","","90","","1193.81","0.11","194","2","194","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 Br N -","- C14 H12 Br N -","- C56 H48 Br4 N4 -","4","1","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0389","0.0342","","","0.0787","0.0822","","","","","","1.07","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567528","6.3061","0.0002","13.0601","0.0004","13.0615","0.0005","90","","99.138","0.004","90","","1062.07","0.06","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Br2 N -","- C10 H9 Br2 N -","- C40 H36 Br8 N4 -","4","1","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0332","0.028","","","0.0636","0.0664","","","","","","1.061","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567529","10.666","0.0011","12.0851","0.0011","8.0892","0.0009","90","","108.741","0.012","90","","987.41","0.19","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F6 N2 -","- C22 H18 F6 N2 -","- C44 H36 F12 N4 -","2","0.5","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0478","0.0399","","","0.1113","0.1145","","","","","","1.067","","","","has coordinates,has disorder","277414","2022-08-26","22:37:54",""
"1567530","11.6527","0.0006","16.617","0.0008","5.9865","0.0004","90","","90","","90","","1159.18","0.11","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N -","- C14 H12 Cl N -","- C56 H48 Cl4 N4 -","4","1","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0599","0.0497","","","0.1205","0.1298","","","","","","1.05","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567531","10.5854","0.0002","11.8999","0.0002","7.675","0.0001","90","","110.688","0.002","90","","904.44","0.03","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N2 -","- C20 H18 Cl2 N2 -","- C40 H36 Cl4 N4 -","2","0.5","","Gonzálvez, Miguel A.; Su, Chuyi; Williams, Craig M.; Bernhardt, Paul V.","Organocopper(ii) complexes: new catalysts for carbon–carbon bond formation via electrochemical atom transfer radical addition (eATRA)","Chemical Science","2022","","","","","10.1039/D2SC03418B","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0803","0.0807","","","","","","1.039","","","","has coordinates","277414","2022-08-26","22:37:54",""
"1567532","41.574","0.003","8.6065","0.0007","18.2384","0.0014","90","","90","","90","","6525.8","0.9","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","","- C34 H24 F10 Ir N4 O2 P -","- C34 H24 F10 Ir N4 O2 P -","- C272 H192 F80 Ir8 N32 O16 P8 -","8","1","ZL4051","Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","IUCrData","2022","7","8","x220830","","10.1107/S2414314622008306","","","1.54178","CuKα","","0.0317","0.0278","","","0.0639","0.0677","","","","","","1.163","","","","has coordinates,has Fobs","277425","2022-08-27","02:54:16",""
"1567533","8.3567","0.0003","7.0331","0.0002","16.5792","0.0006","90","","91.218","0.001","90","","974.2","0.06","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe—Ga</i>)","","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C28 H20 Cl8 Fe4 Ga4 O8 -","2","0.5","BT4125","Harakas, George N.; Demmin, Mary Elizabeth","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe{—</i>Ga})","IUCrData","2022","7","8","x220832","","10.1107/S241431462200832X","","","0.71073","MoKa","","0.0547","0.0388","","","0.0812","0.0855","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","277426","2022-08-27","02:54:58",""
"1567534","6.0155","0.0001","16.5935","0.0003","19.2093","0.0003","101.541","0.002","97.341","0.002","92.928","0.002","1857.47","0.06","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","","- C41 H50 N2 O4 -","- C41 H50 N2 O4 -","- C82 H100 N4 O8 -","2","1","BV4044","Prapakaran, Tulasi; Murugavel, Ramaswamy","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","IUCrData","2022","7","8","x220793","","10.1107/S2414314622007933","","x-ray","0.71073","MoKα","","0.0619","0.0482","","","0.1166","0.1264","","","","","","1.027","","","","has coordinates","277427","2022-08-27","02:55:52",""
"1567535","9.7337","0.001","6.0539","0.0006","21.73","0.002","90","","101.532","0.003","90","","1254.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H26 N4 O2 Zn -","- C28 H26 N4 O2 Zn -","- C56 H52 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1071","","","","","","1.089","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567536","9.911","0.003","6.0729","0.0009","27.229","0.004","90","","93.877","0.016","90","","1635.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H36 N4 O2 Zn -","- C36 H36 N4 O2 Zn -","- C72 H72 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.071","0.0564","","","0.1526","0.1665","","","","","","1.039","","","","has coordinates,has disorder","278958","2022-11-07","05:03:52",""
"1567537","27.956","0.007","5.988","0.0014","19.792","0.01","90","","123.7","0.03","90","","2756.4","1.9","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N4 O4 Zn -","- C30 H30 N4 O4 Zn -","- C120 H120 N16 O16 Zn4 -","4","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0386","0.036","","","0.0983","0.1004","","","","","","1.054","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567538","9.28","0.001","17.0143","0.0019","10.0461","0.001","90","","115.351","0.005","90","","1433.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Balanna, Kuruva; Barik, Soumen; Shee, Sayan; Gonnade, Rajesh G.; Biju, Akkattu T.","Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes <i>via</i> NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones.","Chemical science","2022","13","39","11513","11518","10.1039/d2sc03745a","","","1.54178","CuKα","","0.0438","0.0433","","","0.1068","0.1073","","","","","","1.066","","","","has coordinates","278978","2022-11-07","05:19:49",""
"1567539","21.4916","0.0004","18.1316","0.0004","23.7184","0.0004","90","","91.945","0.002","90","","9237.2","0.3","200","0.1","200","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Ag14 F24 N6 O22 S6 -","- C52 H84 Ag14 F24 N6 O22 S6 -","- C208 H336 Ag56 F96 N24 O88 S24 -","4","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.122","0.1149","","","0.3121","0.3217","","","","","","1.071","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567540","14.2139","0.0005","15.6549","0.0004","17.3498","0.0006","94.12","0.002","110.998","0.003","104.208","0.002","3439.1","0.2","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","- C68 H112 Ag24 F30 N8 O28 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","0.71073","MoKα","","0.1009","0.0727","","","0.2291","0.2493","","","","","","1.05","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567541","14.9116","0.0003","16.3962","0.0002","18.2438","0.0003","97.091","0.001","112.841","0.002","104.162","0.001","3864.89","0.13","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","- C62 H77 Ag24 F50 N5 O25 S9 -","1","0.5","","Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters","Chemical Science","2022","13","37","11110","11118","10.1039/D2SC04204E","","x-ray","1.54184","CuKα","","0.1286","0.0995","","","0.3071","0.3306","","","","","","1.03","","","","has coordinates,has disorder","278405","2022-10-07","00:48:02",""
"1567542","10.1312","0.0003","21.6836","0.0006","10.1764","0.0003","90","","99.1673","0.0014","90","","2207.01","0.11","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Y -","- C25 H37 Y -","- C100 H148 Y4 -","4","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0636","0.0341","","","0.0726","0.0797","","","","","","1.0356","","","","has coordinates","277469","2022-08-30","22:15:35",""
"1567543","10.1901","0.0005","21.8865","0.0012","10.2204","0.0005","90","","98.782","0.005","90","","2252.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Nd -","- C25 H37 Nd -","- C100 H148 Nd4 -","4","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0445","0.0346","","","0.0586","0.0615","","","","","","1.118","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567544","10.1016","0.0009","21.6348","0.0019","10.1842","0.0009","90","","99.328","0.004","90","","2196.3","0.3","101.96","","101.96","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Er -","- C25 H37 Er -","- C100 H148 Er4 -","4","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0223","0.019","","","0.0429","0.0439","","","","","","1.059","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567545","10.1186","0.0008","21.6751","0.0017","10.1771","0.0008","90","","99.224","0.003","90","","2203.2","0.3","100.02","","100.02","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Dy -","- C25 H37 Dy -","- C100 H148 Dy4 -","4","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0355","0.0234","","","0.0413","0.0439","","","","","","1.024","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567546","21.4669","0.0014","18.3458","0.0012","25.0418","0.0016","90","","100.717","0.0013","90","","9690.1","1.1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H124 F6 K2 Nd4 O6 S2 -","- C102 H124 F6 K2 Nd4 O6 S2 -","- C408 H496 F24 K8 Nd16 O24 S8 -","4","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0718","0.0413","","","0.0887","0.1046","","","","","","1.121","","","","has coordinates,has disorder","277469","2022-08-30","22:15:36",""
"1567547","18.304","0.0004","15.4886","0.0003","18.7216","0.0004","90","","90","","90","","5307.64","0.19","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H45 Nd O -","- C29 H45 Nd O -","- C232 H360 Nd8 O8 -","8","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0404","0.0228","","","0.0399","0.0501","","","","","","1.1344","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567548","7.4998","0.0013","11.4895","0.0017","18.504","0.003","98.672","0.007","96.018","0.007","90.007","0.006","1567.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","2","","Muraoka, Masanobu; Goto, Masahide; Minami, Masaki; Zhou, Dayang; Suzuki, Takeyuki; Yajima, Tatsuo; Hayashi, Jun'ichi; Sogawa, Hiromitsu; Sanda, Fumio","Ethynylene-linked multifunctional benzoxazines: the effect of the ethynylene group and packing on thermal behavior","Polymer Chemistry","2022","13","39","5590","5596","10.1039/D2PY00840H","","","0.71075","MoKα","","0.1258","0.0907","","","0.1921","0.2077","","","","","","1.063","","","","has coordinates","279027","2022-11-07","05:55:00",""
"1567549","11.8514","0.001","30.185","0.003","7.533","0.001","90","","90","","90","","2694.8","0.5","193","","193","","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Hydroxyindolin-2-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C128 H112 N16 O32 -","16","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.0477","0.0384","","","0.0902","0.1027","","","","","","0.929","","","","has coordinates","278409","2022-10-07","00:48:46",""
"1567550","35.383","0.002","35.383","0.002","5.235","0.0004","90","","90","","120","","5675.9","0.6","193","","193","","","","","","","","","4","R -3 :H","-R 3","148","","4-(Phenylethynyl)indolin-2-one","","- C16 H11 N O -","- C16 H11 N O -","- C288 H198 N18 O18 -","18","1","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","1.34139","GaKα","","0.073","0.0644","","","0.1805","0.1862","","","","","","1.097","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567551","9.928","0.0019","9.4716","0.0018","52.455","0.01","90","","90.791","0.006","90","","4932.1","1.6","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-(1,2,2-Triphenylvinyl)phenyl)-1H-indole","","- C34 H25 N -","- C34 H25 N -","- C272 H200 N8 -","8","2","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1877","0.0702","","","0.1797","0.2298","","","","","","0.983","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567552","14.0103","0.0013","35.603","0.003","11.376","0.0013","90","","117.174","0.003","90","","5048.1","0.9","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C252 H228 N12 O36 -","12","3","","Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong","A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle","Chemical Science","2022","13","37","11074","11082","10.1039/D2SC03590A","","","0.71073","MoKα","","0.1015","0.0729","","","0.2031","0.2247","","","","","","1.041","","","","has coordinates","278409","2022-10-07","00:48:47",""
"1567553","24.4164","0.0005","11.4199","0.0002","29.7959","0.0006","90","","106.683","0.002","90","","7958.4","0.3","140","0.1","140","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H114 N10 Si12 U2 -","- C44 H114 N10 Si12 U2 -","- C176 H456 N40 Si48 U8 -","4","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.0359","0.032","","","0.0861","0.0879","","","","","","1.018","","","","has coordinates","277508","2022-08-31","22:13:20",""
"1567554","15.3683","0.0013","20.526","0.001","14.691","0.001","90","","116.777","0.009","90","","4137.3","0.6","140.01","0.1","140.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 K N10 O6 -","- C34 H48 K N10 O6 -","- C136 H192 K4 N40 O24 -","4","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.0591","0.042","","","0.1144","0.1259","","","","","","1.027","","","","has coordinates,has disorder","277508","2022-08-31","22:13:21",""
"1567555","29.9688","0.0016","11.6805","0.0005","32.306","0.003","90","","115.332","0.009","90","","10221.3","1.4","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H150 K N12 O6 Si12 U2 -","- C62 H150 K N12 O6 Si12 U2 -","- C248 H600 K4 N48 O24 Si48 U8 -","4","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.1091","0.0771","","","0.2026","0.2502","","","","","","1.019","","","","has coordinates","277508","2022-08-31","22:13:21",""
"1567556","13.7816","0.00013","16.73893","0.00018","17.0063","0.00017","63.8536","0.0011","84.3138","0.0008","74.6504","0.0009","3395.39","0.07","139.9","0.9","139.9","0.9","","","","","","","","7","P -1","-P 1","2","","","","- C96 H226 K2 N14 O16 Si12 U2 -","- C96 H226 K2 N14 O16 Si12 U2 -","- C96 H226 K2 N14 O16 Si12 U2 -","1","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.0227","0.0221","","","0.0532","0.0536","","","","","","1.021","","","","has coordinates","277508","2022-08-31","22:13:21",""
"1567557","15.1222","0.0002","15.2178","0.0002","23.8147","0.0004","98.8987","0.0012","91.1267","0.0012","92.6498","0.0013","5406.64","0.14","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H141 B N10 Si12 U2 -","- C71 H141 B N10 Si12 U2 -","- C142 H282 B2 N20 Si24 U4 -","2","1","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.0551","0.0411","","","0.0959","0.1041","","","","","","1.021","","","","has coordinates,has disorder","277508","2022-08-31","22:13:21",""
"1567558","14.068","0.0002","14.068","0.0002","23.3614","0.0004","90","","90","","120","","4004","0.11","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 N8 O24 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Li, Tian; Wang, Yi-Fan; Yin, Zheng; Li, Jian; Peng, Xu; Zeng, Ming-Hua","The sequential structural transformation of a heptanuclear zinc cluster towards hierarchical porous carbon for supercapacitor applications","Chemical Science","2022","","","","","10.1039/D2SC03987G","","x-ray","1.54184","CuKα","","0.0585","0.0551","","","0.1705","0.175","","","","","","1.084","","","","has coordinates","277509","2022-08-31","22:14:29",""
"1567559","11.3732","0.0004","7.0194","0.0003","17.8991","0.0006","90","","100.777","0.001","90","","1403.74","0.09","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 F3 N2 -","- C18 H11 F3 N2 -","- C72 H44 F12 N8 -","4","1","","Huang, Mengjun; Ma, Jiawei; Zou, Zhenlei; Li, Heyin; Liu, Jiyang; Kong, Lingyu; Pan, Yi; Zhang, Weigang; Liang, Yong; Wang, Yi","A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines","Chemical Science","2022","","","","","10.1039/D2SC03989C","","","0.71073","MoKα","","0.0464","0.0381","","","0.0969","0.1029","","","","","","1.068","","","","has coordinates","277562","2022-09-01","22:08:35",""
"1567560","10.81","0.002","5.693","0.002","16.013","0.003","90","0.03","93.45","0.03","90","0.03","983.7","0.4","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F3 N2 O2 S -","- C8 H5 F3 N2 O2 S -","- C32 H20 F12 N8 O8 S4 -","4","1","","Huang, Mengjun; Ma, Jiawei; Zou, Zhenlei; Li, Heyin; Liu, Jiyang; Kong, Lingyu; Pan, Yi; Zhang, Weigang; Liang, Yong; Wang, Yi","A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines","Chemical Science","2022","","","","","10.1039/D2SC03989C","","","0.71073","MoKα","","0.0419","0.0364","","","0.094","0.0987","","","","","","1.044","","","","has coordinates","277562","2022-09-01","22:08:35",""
"1567561","8.832","0.002","11.476","0.002","17.721","0.004","90","0.03","91.06","0.03","90","0.03","1795.8","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F3 N2 O -","- C21 H19 F3 N2 O -","- C84 H76 F12 N8 O4 -","4","1","","Huang, Mengjun; Ma, Jiawei; Zou, Zhenlei; Li, Heyin; Liu, Jiyang; Kong, Lingyu; Pan, Yi; Zhang, Weigang; Liang, Yong; Wang, Yi","A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines","Chemical Science","2022","","","","","10.1039/D2SC03989C","","","0.71073","MoKα","","0.0775","0.0462","","","0.0976","0.1138","","","","","","1.02","","","","has coordinates","277562","2022-09-01","22:08:36",""
"1567562","10.0485","0.0005","17.8373","0.0009","26.9426","0.0015","90","","98.285","0.005","90","","4778.7","0.4","293","2","293.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 B2 F8 N4 O P2 Ru -","- C49 H46 B2 F8 N4 O P2 Ru -","- C196 H184 B8 F32 N16 O4 P8 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.11","0.0613","","","0.1395","0.1666","","","","","","0.989","","","","has coordinates","278957","2022-11-07","05:03:39",""
"1567563","17.8555","0.0005","10.37049","0.00019","18.2838","0.0005","90","","110.261","0.003","90","","3176.13","0.15","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B F4 N4 O P Ru -","- C32 H34 B F4 N4 O P Ru -","- C128 H136 B4 F16 N16 O4 P4 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.0948","0.1062","","","","","","1.026","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567564","17.5755","0.0006","19.7613","0.0008","21.9822","0.0009","106.12","0.004","103.92","0.003","103.786","0.003","6727.3","0.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Cl N4 O P Ru -","- C31 H32 Cl N4 O P Ru -","- C248 H256 Cl8 N32 O8 P8 Ru8 -","8","4","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.1274","0.0962","","","0.2659","0.2852","","","","","","1.038","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567565","15.083","0.003","17.018","0.003","24.513","0.005","90","","90","","90","","6292","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H101 Cl N4 O5 U -","- C62 H101 Cl N4 O5 U -","- C248 H404 Cl4 N16 O20 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0679","0.0493","","","0.1192","0.1308","","","","","","1.109","","","","has coordinates,has disorder","277604","2022-09-02","22:16:59",""
"1567566","17.1229","0.0007","13.5864","0.0005","27.4309","0.0011","90","","100.063","0.001","90","","6283.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H105 F N4 O5 U -","- C62 H105 F N4 O5 U -","- C248 H420 F4 N16 O20 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.023","0.0188","","","0.0433","0.0451","","","","","","1.047","","","","has coordinates,has disorder","277604","2022-09-02","22:17:02",""
"1567567","13.5741","0.0005","15.3727","0.0006","30.4035","0.0012","90","","102.168","0.001","90","","6201.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H105 F1.79 N4 O5 U -","- C62 H105 F1.797 N4 O5 U -","- C248 H420 F7.188 N16 O20 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0435","0.0348","","","0.0732","0.0758","","","","","","1.129","","","","has coordinates,has disorder","277604","2022-09-02","22:17:06",""
"1567568","10.7445","0.0006","16.3263","0.0009","37.618","0.002","90","","90.093","0.003","90","","6598.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H102 N4 O6 U -","- C62 H102 N4 O6 U -","- C248 H408 N16 O24 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0486","0.0357","","","0.0741","0.078","","","","","","1.125","","","","has coordinates,has disorder","277604","2022-09-02","22:17:09",""
"1567569","23.6848","0.0008","12.0981","0.0005","27.9247","0.0011","90","","113.046","0.001","90","","7363","0.5","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C75 H107 F6 N4 O4 Sb U -","- C75 H107 F6 N4 O4 Sb U -","- C300 H428 F24 N16 O16 Sb4 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0521","0.0351","","","0.0657","0.0717","","","","","","1.089","","","","has coordinates,has disorder","277604","2022-09-02","22:17:09",""
"1567570","30.404","0.006","10.566","0.002","37.842","0.008","90","","106.97","0.03","90","","11627","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H97 N4 O5.5 U -","- C60 H97 N4 O5.5 U -","- C480 H776 N32 O44 U8 -","8","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.064","0.0482","","","0.0896","0.0952","","","","","","1.135","","","","has coordinates,has disorder","277604","2022-09-02","22:17:09",""
"1567571","23.6833","0.0013","12.0691","0.0006","27.9262","0.0013","90","","113.169","0.002","90","","7338.5","0.7","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C75 H106 F6 N4 O4 Sb U -","- C75 H106 F6 N4 O4 Sb U -","- C300 H424 F24 N16 O16 Sb4 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0525","0.039","","","0.0761","0.0802","","","","","","1.103","","","","has coordinates,has disorder","277604","2022-09-02","22:17:09",""
"1567572","9.4017","0.0004","10.5681","0.0005","12.696","0.0006","66.4289","0.001","77.1738","0.0011","84.9305","0.0011","1127.35","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","- C44 H40 Br4 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0357","0.0291","","","0.0718","0.0749","","","","","","1.03","","","","has coordinates","277624","2022-09-05","06:14:35",""
"1567573","11.59303","0.00007","11.77994","0.00006","21.25835","0.00012","90","","91.1883","0.0005","90","","2902.53","0.03","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 Co N3 O2 -","- C31 H44 Co N3 O2 -","- C124 H176 Co4 N12 O8 -","4","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","1.54184","CuKα","","0.0319","0.0307","","","0.0855","0.0863","","","","","","1.085","","","","has coordinates,has disorder","277624","2022-09-05","06:14:41",""
"1567574","10.9817","0.0004","17.1391","0.0006","31.4588","0.0011","90","","90","","90","","5921.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H68 Co2 N4 O6 -","- C68 H68 Co2 N4 O6 -","- C272 H272 Co8 N16 O24 -","4","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0564","0.0431","","","0.1051","0.1125","","","","","","1.109","","","","has coordinates,has disorder","277624","2022-09-05","06:14:50",""
"1567575","11.1838","0.0005","12.1674","0.0006","15.6011","0.0008","72.164","0.002","70.4512","0.0018","89.2308","0.0019","1895.03","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","- C84 H100 Co2 N4 O6 -","1","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0417","0.0321","","","0.0751","0.0798","","","","","","1.031","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567576","11.1341","0.0004","13.1609","0.0004","17.4589","0.0006","81.674","0.0009","71.6133","0.0009","84.1723","0.0009","2397.89","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 Co2 N4 O6 -","- C52 H60 Co2 N4 O6 -","- C104 H120 Co4 N8 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0536","0.034","","","0.0749","0.0863","","","","","","1.046","","","","has coordinates","277624","2022-09-05","06:14:51",""
"1567577","14.3182","0.0003","12.0109","0.0003","15.9104","0.0004","90","","97.507","0.0007","90","","2712.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 Co2 N4 O10 -","- C57 H72 Co2 N4 O10 -","- C114 H144 Co4 N8 O20 -","2","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0581","0.0501","","","0.1358","0.1419","","","","","","1.07","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567578","13.2692","0.0003","15.2605","0.0004","16.5352","0.0004","77.6834","0.0004","76.0242","0.0005","66.204","0.0004","2947.53","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Co2 N8 O6 -","- C60 H80 Co2 N8 O6 -","- C120 H160 Co4 N16 O12 -","2","1","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0528","0.0433","","","0.1086","0.1133","","","","","","1.08","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567579","13.5589","0.0003","35.2233","0.001","16.1183","0.0005","90","","105.07","0.001","90","","7433.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Co2 N4 O6 -","- C54 H58 Co2 N4 O6 -","- C324 H348 Co12 N24 O36 -","6","1.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.046","0.0326","","","0.0831","0.0914","","","","","","1.057","","","","has coordinates,has disorder","277624","2022-09-05","06:14:51",""
"1567580","14.2247","0.0005","18.7107","0.0006","19.0753","0.001","109.83","0.004","93.98","0.003","103.16","0.003","4590.5","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C53 H76 N2 O -","- C53 H76 N2 O -","- C212 H304 N8 O4 -","4","2","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1188","0.0595","","","0.0948","0.1136","","","","","","1.013","","","","has coordinates","277625","2022-09-05","06:17:09",""
"1567581","13.0058","0.0006","18.6532","0.0008","20.2559","0.0008","90","","107.607","0.005","90","","4683.9","0.4","150.3","0.5","150.3","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H79 Cl N2 O2 -","- C53 H79 Cl N2 O2 -","- C212 H316 Cl4 N8 O8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1626","0.064","","","0.0926","0.1241","","","","","","0.916","","","","has coordinates","277625","2022-09-05","06:17:18",""
"1567582","17.3378","0.0009","16.0403","0.001","38.924","0.002","90","","95.096","0.005","90","","10782.1","1","150","0.14","150","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H84 F3 N2 O4.5 S -","- C57 H84 F3 N2 O4.5 S -","- C456 H672 F24 N16 O36 S8 -","8","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1844","0.0859","","","0.2195","0.2793","","","","","","1.014","","","","has coordinates,has disorder","277625","2022-09-05","06:17:20",""
"1567583","12.152","0.0008","31.9515","0.0018","14.2567","0.0007","90","","97.129","0.005","90","","5492.7","0.6","150","0.14","150","0.14","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Cl2 F12 N2 O P2 -","- C54 H78 Cl2 F12 N2 O P2 -","- C216 H312 Cl8 F48 N8 O4 P8 -","4","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.2151","0.0942","","","0.2009","0.2575","","","","","","1.002","","","","has coordinates","277625","2022-09-05","06:17:21",""
"1567584","20.9197","0.0002","14.8105","0.0002","21.4828","0.0002","90","","90","","90","","6656.04","0.13","230","2","230","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H63 F18 N8 P3 -","- C69 H57 F18 N8 P3 -","- C276 H228 F72 N32 P12 -","4","1","","La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria","A Benzimidazolium-Based Organic Cage with Antimicrobial Activity","Chemistry","2022","4","3","855","864","10.3390/chemistry4030061","","","0.6889","Synchrotron","","0.2046","0.1627","","","0.4143","0.4433","","","","","","1.475","","","","has coordinates,has disorder","277683","2022-09-06","15:32:47",""
"1567585","8.7148","0.0003","18.4121","0.0006","18.2547","0.0005","90","","101.524","0.002","90","","2870.06","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Co N10 S2 -","- C68 H48 Co N10 S2 -","- C136 H96 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1614","0.1458","","","0.3652","0.3729","","","","","","0.977","","","","has coordinates","277684","2022-09-06","16:17:10",""
"1567586","8.3422","0.0001","16.5164","0.0003","19.9774","0.0003","90","","100.072","0.001","90","","2710.13","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 Cl6 Co N10 S2 -","- C54 H50 Cl6 Co N10 S2 -","- C108 H100 Cl12 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1143","0.0956","","","0.2215","0.2451","","","","","","1.069","","","","has coordinates","277685","2022-09-06","16:17:44",""
"1567587","14.7142","0.0009","9.842","0.0005","25.64","0.0017","90","","94.944","0.005","90","","3699.3","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H59 Cl9 Co N10 O2 S2 -","- C72 H58 Cl6 Co N10 O2 S2 -","- C144 H116 Cl12 Co2 N20 O4 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1041","0.0845","","","0.2057","0.2316","","","","","","1.019","","","","has coordinates","277686","2022-09-06","16:18:23",""
"1567588","13.3183","0.0003","12.5045","0.0002","15.2418","0.0004","90","","96.533","0.002","90","","2521.87","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.8 H48.8 Cl2.4 Co N10 S2 -","- C52.8 H48.8 Cl2.4 Co N10 S2 -","- C105.6 H97.6 Cl4.8 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1069","0.103","","","0.2365","0.24","","","","","","0.941","","","","has coordinates,has disorder","277687","2022-09-06","16:18:58",""
"1567589","34.855","0.005","8.6116","0.0008","30.178","0.005","90","","146.585","0.007","90","","4988.3","1.5","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N4 -","- C33 H24 N4 -","- C264 H192 N32 -","8","1","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1376","0.0975","","","0.2194","0.2699","","","","","","1.016","","","","has coordinates","277688","2022-09-06","16:19:34",""
"1567590","10.0941","0.0003","10.4249","0.0003","15.3161","0.0003","73.955","0.002","87.469","0.002","73.633","0.003","1485.17","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Cl6 O P -","- C30 H20 Cl6 O P -","- C60 H40 Cl12 O2 P2 -","2","1","","Xu, Shibo; Nishimura, Kazutoshi; Saito, Kosuke; Hirano, Koji; Miura, Masahiro","Palladium-catalysed C–H arylation of benzophospholes with aryl halides","Chemical Science","2022","","","","","10.1039/D2SC04311D","","x-ray","0.71073","MoKα","","0.0877","0.0633","","","0.168","0.1847","","","","","","1.113","","","","has coordinates","277690","2022-09-06","22:05:01",""
"1567591","12.5743","0.0003","11.368","0.0002","11.7601","0.0002","90","","93.369","0.002","90","","1678.14","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 O P -","- C22 H19 O P -","- C88 H76 O4 P4 -","4","1","","Xu, Shibo; Nishimura, Kazutoshi; Saito, Kosuke; Hirano, Koji; Miura, Masahiro","Palladium-catalysed C–H arylation of benzophospholes with aryl halides","Chemical Science","2022","","","","","10.1039/D2SC04311D","","x-ray","1.54184","CuKα","","0.0435","0.0403","","","0.1064","0.1094","","","","","","1.064","","","","has coordinates","277690","2022-09-06","22:05:01",""
"1567592","16.3357","0.0012","16.1055","0.0012","23.5813","0.0017","90","","94.397","0.001","90","","6185.9","0.8","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H114 Ag20 F24 N4 O18 S11 -","- C68 H114 Ag20 F24 N4 O17.9998 S11 -","- C136 H228 Ag40 F48 N8 O35.9996 S22 -","2","0.5","","Mandal, Sukhendu; Biswas, Sourav; Das, Anish Kumar; Manna, Surya Sekhar; Pathak, Biswarup","Template-Assisted Alloying of Atom-Precise Silver Nanocluster: A New Approach to Generate Cluster Functionality","Chemical Science","2022","","","","","10.1039/D2SC04390D","","","0.71073","MoKα","","0.1295","0.0717","","","0.1881","0.2219","","","","","","1.04","","","","has coordinates","277691","2022-09-06","22:06:13",""
"1567593","15.9453","0.0015","18.304","0.0017","24.394","0.002","90","","105.548","0.002","90","","6859.2","1.1","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C162 H288 Ag40 Cu2 F48 N12 O48 S23 -","- C162 H288 Ag40 Cu2 F48 N12 O48 S23 -","- C162 H288 Ag40 Cu2 F48 N12 O48 S23 -","1","0.25","","Mandal, Sukhendu; Biswas, Sourav; Das, Anish Kumar; Manna, Surya Sekhar; Pathak, Biswarup","Template-Assisted Alloying of Atom-Precise Silver Nanocluster: A New Approach to Generate Cluster Functionality","Chemical Science","2022","","","","","10.1039/D2SC04390D","","","0.71073","MoKα","","0.1504","0.0626","","","0.1452","0.1831","","","","","","1.027","","","","has coordinates","277691","2022-09-06","22:06:14",""
"1567594","15.4136","0.0017","30.794","0.003","28.051","0.003","90","","103.798","0.002","90","","12930","2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H118 Ag20 Cu0 F24 N4 O24 S10 -","- C69 H118 Ag20 F24 N4 O24 S10 -","- C276 H472 Ag80 F96 N16 O96 S40 -","4","1","","Mandal, Sukhendu; Biswas, Sourav; Das, Anish Kumar; Manna, Surya Sekhar; Pathak, Biswarup","Template-Assisted Alloying of Atom-Precise Silver Nanocluster: A New Approach to Generate Cluster Functionality","Chemical Science","2022","","","","","10.1039/D2SC04390D","","","0.71073","MoKα","","0.2141","0.0938","","","0.2318","0.2987","","","","","","1.025","","","","has coordinates,has disorder","277691","2022-09-06","22:06:14",""
"1567595","15.7957","0.0016","15.853","0.0016","15.9408","0.0016","88.234","0.001","74.099","0.001","85.076","0.001","3824.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","HSnNi3(dppm)3H","","- C79 H77 Ni3 O P6 Sn -","- C79 H77 Ni3 O P6 Sn -","- C158 H154 Ni6 O2 P12 Sn2 -","2","1","","Torquato, Nicole A.; Mrse, Anthony A.; Gembicky, Milan; Chan, Thomas; Brunner, Felix M.; Kubiak, Clifford P.; Bertrand, Quentin C.; Palasz, Joseph M.","Synthesis, Structure and Reactivity of µ3-SnH Capped Trinuclear Nickel Cluster","Chemical Science","2022","","","","","10.1039/D2SC04042E","","x-ray","0.71073","MoKα","K-L~3~","0.0536","0.0434","","","0.1084","0.1177","","","","","","1.035","","","","has coordinates,has disorder","277692","2022-09-06","22:07:37",""
"1567596","12.692","0.0006","13.093","0.0008","24.4579","0.0014","90.583","0.002","102.885","0.002","112.374","0.002","3643.3","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","Br(CH3CH2)HSnNi3(dppm)3H","","- C81 H80 Br Ni3 O P6 Sn -","- C81 H80 Br Ni3 O P6 Sn -","- C162 H160 Br2 Ni6 O2 P12 Sn2 -","2","1","","Torquato, Nicole A.; Mrse, Anthony A.; Gembicky, Milan; Chan, Thomas; Brunner, Felix M.; Kubiak, Clifford P.; Bertrand, Quentin C.; Palasz, Joseph M.","Synthesis, Structure and Reactivity of µ3-SnH Capped Trinuclear Nickel Cluster","Chemical Science","2022","","","","","10.1039/D2SC04042E","","x-ray","0.71073","MoKα","","0.0852","0.0464","","","0.0921","0.1086","","","","","","1.017","","","","has coordinates","277692","2022-09-06","22:07:38",""
"1567597","11.9779","0.0003","13.7494","0.0004","23.0279","0.0007","91.234","0.002","101.72","0.002","107.029","0.002","3537.25","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","2-hexeneSnNi3(dppm)3H","","- C81 H78 Ni3 P6 Sn -","- C81 H78 Ni3 P6 Sn -","- C162 H156 Ni6 P12 Sn2 -","2","1","","Torquato, Nicole A.; Mrse, Anthony A.; Gembicky, Milan; Chan, Thomas; Brunner, Felix M.; Kubiak, Clifford P.; Bertrand, Quentin C.; Palasz, Joseph M.","Synthesis, Structure and Reactivity of µ3-SnH Capped Trinuclear Nickel Cluster","Chemical Science","2022","","","","","10.1039/D2SC04042E","","x-ray","1.54178","CuKα","","0.069","0.0494","","","0.1086","0.1175","","","","","","1.031","","","","has coordinates,has disorder","277692","2022-09-06","22:07:38",""
"1567598","16.0909","0.001","22.5824","0.0012","20.2582","0.0012","90","","103.455","0.002","90","","7159.2","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ch3Ch2SnNi3(dppm)3I","","- C83 H77 I Ni3 P6 Sn -","- C83 H77 I Ni3 P6 Sn -","- C332 H308 I4 Ni12 P24 Sn4 -","4","1","","Torquato, Nicole A.; Mrse, Anthony A.; Gembicky, Milan; Chan, Thomas; Brunner, Felix M.; Kubiak, Clifford P.; Bertrand, Quentin C.; Palasz, Joseph M.","Synthesis, Structure and Reactivity of µ3-SnH Capped Trinuclear Nickel Cluster","Chemical Science","2022","","","","","10.1039/D2SC04042E","","x-ray","0.71073","MoKα","","0.0404","0.0274","","","0.0525","0.0577","","","","","","1.052","","","","has coordinates,has disorder","277692","2022-09-06","22:07:38",""
"1567599","11.6247","0.0001","17.1959","0.0001","8.2511","0.0001","90","","109.867","0.001","90","","1551.21","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl N3 S -","- C16 H20 Cl N3 S -","- C64 H80 Cl4 N12 S4 -","4","1","","Pivovarova, Ekaterina; Climova, Alina; Świątkowski, Marcin; Staszewski, Marek; Walczyński, Krzysztof; Dzięgielewski, Marek; Bauer, Marta; Kamysz, Wojciech; Krześlak, Anna; Jóźwiak, Paweł; Czylkowska, Agnieszka","Synthesis and Biological Evaluation of Thiazole-Based Derivatives with Potential against Breast Cancer and Antimicrobial Agents","International Journal of Molecular Sciences","2022","23","17","9844","","10.3390/ijms23179844","","x-ray","1.54184","CuKα","","0.0256","0.0241","","","0.061","0.0618","","","","","","1.048","","","","has coordinates","277703","2022-09-07","01:53:26",""
"1567600","11.49","0.0007","7.2911","0.0006","20.791","0.0016","90","","93.2","0.004","90","","1739","0.2","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","chiral diborane 1","","","- C42 H52 B2 O2 -","- C42 H52 B2 O2 -","- C84 H104 B4 O4 -","2","1","","Sirin-Sariaslan, Ayla; Naumann, Stefan","Chiral diboranes as catalysts for the stereoselective organopolymerization of epoxides","Chemical Science","2022","","","","","10.1039/D2SC03977J","","","1.54178","CuKα","","0.068","0.0484","","","0.1187","0.1278","","","","","","1.041","","","","has coordinates","277718","2022-09-07","22:18:59",""
"1567601","11.5827","0.0006","15.4151","0.0005","27.061","0.0012","90","","90.708","0.002","90","","4831.3","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Ga N4 P -","- C60 H68 Ga N4 P -","- C240 H272 Ga4 N16 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0791","0.0547","","","0.1224","0.1368","","","","","","1.042","","","","has coordinates,has disorder","278404","2022-10-07","00:47:44",""
"1567602","25.411","0.0018","16.6359","0.0013","23.7139","0.0018","90","","107.797","0.003","90","","9545","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.5 H53 Cl Ga N4 P -","- C52.5 H53 Cl Ga N4 P -","- C420 H424 Cl8 Ga8 N32 P8 -","8","2","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","","0.71073","MoKα","","0.0735","0.0463","","","0.1083","0.1219","","","","","","1.027","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567603","13.0677","0.0006","21.406","0.0011","17.1423","0.0007","90","","108.63","0.002","90","","4543.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Ga N4 O P -","- C56 H60 Ga N4 O P -","- C224 H240 Ga4 N16 O4 P4 -","4","1","","Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz","Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols","Chemical Science","2022","13","37","11215","11220","10.1039/D2SC03054C","","x-ray","0.71073","MoKα","","0.0272","0.0254","","","0.0689","0.07","","","","","","1.061","","","","has coordinates","278404","2022-10-07","00:47:44",""
"1567604","13.9204","0.0005","26.8345","0.0009","18.8544","0.0007","90","","97.032","0.002","90","","6990","0.4","142","2","142","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fc@8CCP","","","- C178 H130 Cl12 Fe3 -","- C178 H130 Cl12 Fe3 -","- C356 H260 Cl24 Fe6 -","2","0.5","","Kwon, Hyejin; Newell, Brian S.; Bruns, Carson J.","Redox-Switchable Host-Guest Complexes of Metallocenes and [8]Cycloparaphenylene","Nanoscale","2022","","","","","10.1039/D2NR03852H","","","0.71073","MoKα","","0.1274","0.0847","","","0.2231","0.2591","","","","","","1.087","","","","has coordinates","277727","2022-09-08","00:15:01",""
"1567605","38.1212","0.0011","13.7764","0.0004","24.9606","0.0007","90","","129.152","0.001","90","","10165.4","0.5","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CoCp2 8CPP","","","- C58 H42 Co F12 P2 -","- C58 H42 Co F12 P2 -","- C464 H336 Co8 F96 P16 -","8","1","","Kwon, Hyejin; Newell, Brian S.; Bruns, Carson J.","Redox-Switchable Host-Guest Complexes of Metallocenes and [8]Cycloparaphenylene","Nanoscale","2022","","","","","10.1039/D2NR03852H","","x-ray","0.71073","MoKα","","0.1475","0.1332","","","0.4156","0.4512","","","","","","2.238","","","","has coordinates,has disorder","277727","2022-09-08","00:15:02",""
"1567606","12.1592","0.0008","18.926","0.0014","20.3097","0.0017","90","","91.474","0.003","90","","4672.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethidium heptafluorobutyrate","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate","","- C25 H20 F7 N3 O2 -","- C25 H20 F7 N3 O2 -","- C200 H160 F56 N24 O16 -","8","2","XU4048","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium heptafluorobutyrate","IUCrData","2022","7","9","x220884","","10.1107/S2414314622008847","","","0.71069","MoKα","","0.1146","0.0892","","","0.2023","0.2182","","","","","","1.107","","","","has coordinates,has Fobs","277751","2022-09-09","02:09:15",""
"1567607","6.3498","0.0005","9.8991","0.0009","11.5969","0.001","90","","105.817","0.003","90","","701.35","0.1","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-5-nitroimidazolium chloride","","- C4 H6 Cl N3 O2 -","- C4 H6 Cl N3 O2 -","- C16 H24 Cl4 N12 O8 -","4","1","TK4083","Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C.","1-Methyl-5-nitroimidazolium chloride","IUCrData","2022","7","9","x220878","","10.1107/S2414314622008781","","","0.71073","MoKα","","0.0275","0.0255","","","0.0702","0.0715","","","","","","1.08","","","","has coordinates,has Fobs","277752","2022-09-09","02:10:02",""
"1567608","10.9102","0.0003","6.1038","0.0002","14.7452","0.0004","90","","99.5","0.003","90","","968.47","0.05","173","0.1","173","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H29 N -","- C23 H29 N -","- C46 H58 N2 -","2","1","","Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang","Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines","Chemical Science","2022","13","37","11150","11155","10.1039/D2SC03999K","","x-ray","1.54184","CuKα","","0.0491","0.0465","","","0.1281","0.1301","","","","","","1.039","","","","has coordinates","278412","2022-10-07","00:49:33",""
"1567609","21.1343","0.0008","13.7339","0.0007","7.328","0.0003","90","","90","","90","","2127","0.16","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 I3 N -","- C23 H16 I3 N -","- C92 H64 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0453","0.0251","","","0.0345","0.0382","","","","","","1.053","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567610","8.0838","0.0002","11.8898","0.0004","12.2871","0.0004","64.355","0.001","77.901","0.001","77.39","0.001","1030.02","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C44 H28 I6 N2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0218","0.0171","","","0.0352","0.0362","","","","","","1.097","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567611","8.5783","0.0004","11.1636","0.0006","13.3063","0.0007","74.307","0.002","71.324","0.002","79.269","0.002","1155.23","0.1","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0451","0.0276","","","0.0474","0.0517","","","","","","1.079","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567612","21.0883","0.0017","13.773","0.0011","7.3022","0.0006","90","","90","","90","","2120.9","0.3","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H15 I3 N2 -","- C22 H15 I3 N2 -","- C88 H60 I12 N8 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0636","0.0362","","","0.0671","0.0744","","","","","","1.063","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567613","21.0383","0.0012","13.782","0.0008","7.3031","0.0004","90","","90","","90","","2117.5","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H14 I3 N -","- C22 H14 I3 N -","- C88 H56 I12 N4 -","4","0.5","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","","0.0444","0.0265","","","0.0446","0.0484","","","","","","1.058","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567614","7.2077","0.0005","12.3954","0.0008","14.0967","0.0009","98.565","0.002","101.823","0.002","91.413","0.002","1216.98","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F3 I2 N O3 S -","- C24 H16 F3 I2 N O3 S -","- C48 H32 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.0315","","","0.065","0.0683","","","","","","1.176","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567615","7.1362","0.0003","12.3559","0.0006","14.2656","0.0007","98.46","0.002","103.067","0.002","94.936","0.002","1202.63","0.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H14 F3 I2 N O3 S -","- C23 H14 F3 I2 N O3 S -","- C46 H28 F6 I4 N2 O6 S2 -","2","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.033","0.0275","","","0.0658","0.0678","","","","","","1.166","","","","has coordinates","278411","2022-10-07","00:49:23",""
"1567616","22.544","0.003","22.544","0.003","9.5927","0.0011","90","","90","","90","","4875.3","1.1","100","","100","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H15 F3 I2 N2 O3 S -","- C23 H15 F3 I2 N2 O3 S -","- C184 H120 F24 I16 N16 O24 S8 -","8","1","","Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.","Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond","Chemical Science","2022","13","37","11156","11162","10.1039/D2SC03792K","","x-ray","0.71073","MoKα","K-L~3~","0.0358","0.0248","","","0.0467","0.0506","","","","","","1.098","","","","has coordinates,has disorder","278411","2022-10-07","00:49:23",""
"1567617","22.116","0.007","17.029","0.005","16.379","0.008","90","","124.27","0.01","90","","5098","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H51 F6 N5 O6 S2 -","- C59 H51 F6 N5 O6 S2 -","- C236 H204 F24 N20 O24 S8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0786","0.0594","","","0.1554","0.1713","","","","","","1.034","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567618","8.4766","0.0009","15.6816","0.0016","28.099","0.002","90","","95.655","0.003","90","","3716.9","0.6","140.01","","140.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 -","- C51 H45 N5 -","- C204 H180 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1547","0.0735","","","0.1281","0.1526","","","","","","1.051","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567619","17.0926","0.0014","16.467","0.0012","17.5046","0.0013","90","","113.674","0.002","90","","4512.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Cl4 N5 -","- C57 H49 Cl4 N5 -","- C228 H196 Cl16 N20 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.137","0.0789","","","0.1489","0.173","","","","","","1.043","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567620","15.6999","0.0009","18.4945","0.001","20.4988","0.0011","90","","91.779","0.003","90","","5949.2","0.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H55 Cl6 I2 N5 Rh2 -","- C59 H55 Cl6 I2 N5 Rh2 -","- C236 H220 Cl24 I8 N20 Rh8 -","4","0.5","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.0429","0.0344","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","278413","2022-10-07","00:49:56",""
"1567621","16.175","0.0004","18.4493","0.0005","18.016","0.0005","90","","102.497","0.001","90","","5248.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 F6 N5 O6 S2 -","- C57 H55 Cl2 F6 N5 O6 S2 -","- C228 H220 Cl8 F24 N20 O24 S8 -","4","1","","Karak, Pirudhan; Choudhury, Joyanta","Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs","Chemical Science","2022","13","37","11163","11173","10.1039/D2SC04006A","","","0.71073","MoKα","","0.1006","0.0666","","","0.1785","0.1994","","","","","","1.089","","","","has coordinates,has disorder","278413","2022-10-07","00:49:56",""
"1567622","8.1602","0.0003","10.1021","0.0004","11.5212","0.0004","88.2151","0.0014","69.4794","0.0014","72.0806","0.0013","843.2","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C36 H42 N2 O12 -","2","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.1027","","","","","","1.051","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567623","12.998","0.0005","7.7936","0.0003","15.3862","0.0006","90","","106.506","0.0012","90","","1494.41","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0461","0.0382","","","0.0908","0.0991","","","","","","1.054","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567624","5.03","0.0003","20.5537","0.0012","16.8829","0.001","90","","97.379","0.002","90","","1730.99","0.18","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0829","0.0782","","","0.2076","0.2152","","","","","","1.076","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567625","17.15","0.004","9.733","0.003","10.702","0.003","90","","106.541","0.007","90","","1712.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.1464","0.1112","","","0.2192","0.2349","","","","","","1.182","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567626","8.1387","0.0004","24.2934","0.001","8.5069","0.0004","90","","117.414","0.0013","90","","1493.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0494","0.0443","","","0.1139","0.119","","","","","","1.025","","","","has coordinates","280224","2023-01-06","10:06:32",""
"1567627","7.8712","0.0004","16.4752","0.0007","11.757","0.0005","90","","91.5968","0.0014","90","","1524.05","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae","The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization","Polymer Chemistry","2022","13","45","6268","6273","10.1039/D2PY00684G","","","0.71073","MoKα","","0.0495","0.0369","","","0.0841","0.0932","","","","","","1.042","","","","has coordinates,has disorder","280224","2023-01-06","10:06:32",""
"1567628","18.2848","0.0005","7.9227","0.0001","19.28","0.0006","90","","117.08","0.004","90","","2486.81","0.14","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H66 Si2 -","- C32 H33 Si -","- C128 H132 Si4 -","4","1","","Zong, Chaoyang; Yang, Shuyuan; Sun, Yajing; Zhang, Lifeng; Hu, Jinlian; Hu, Wenping; Li, Rongjin; Sun, Zhe","Isomeric Dibenzooctazethrene Diradicals for High-Performance Air-Stable Organic Field-Effect Transistors","Chemical Science","2022","","","","","10.1039/D2SC03667C","","x-ray","1.54184","CuKα","","0.0664","0.0515","","","0.1383","0.1526","","","","","","1.0285","","","","has coordinates","277811","2022-09-13","22:08:44",""
"1567629","7.9997","0.0002","8.8382","0.0002","17.8954","0.0003","94.227","0.002","96.681","0.002","94.149","0.002","1249.06","0.05","302.64","0.1","302.64","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C64 H66 Si2 -","- C64 H66 Si2 -","- C64 H66 Si2 -","1","0.5","","Zong, Chaoyang; Yang, Shuyuan; Sun, Yajing; Zhang, Lifeng; Hu, Jinlian; Hu, Wenping; Li, Rongjin; Sun, Zhe","Isomeric Dibenzooctazethrene Diradicals for High-Performance Air-Stable Organic Field-Effect Transistors","Chemical Science","2022","","","","","10.1039/D2SC03667C","","x-ray","1.54184","CuKα","","0.086","0.0712","","","0.2003","0.209","","","","","","1.081","","","","has coordinates","277811","2022-09-13","22:08:45",""
"1567630","24.1916","0.0017","9.9649","0.0005","14.5436","0.0011","90","","112.784","0.003","90","","3232.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N O -","- C22 H13 F2 N O -","- C176 H104 F16 N8 O8 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.0563","0.0425","","","0.1029","0.1139","","","","","","1.105","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567631","13.16","0.004","7.282","0.002","14.2","0.004","90","","99.631","0.006","90","","1341.6","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1363","0.0488","","","0.0836","0.1102","","","","","","0.974","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567632","20.192","0.0008","20.192","0.0008","11.043","0.0005","90","","90","","90","","4502.4","0.3","296.15","","296.15","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang","Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.","Chemical science","2022","13","39","11594","11599","10.1039/d2sc03169h","","","0.71073","MoKα","","0.1518","0.0709","","","0.1481","0.1737","","","","","","0.952","","","","has coordinates","278983","2022-11-07","05:20:47",""
"1567633","20.891","0.005","8.271","0.003","44.433","0.012","90","","102.813","0.01","90","","7486","4","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H85 N3 O4 S2 -","- C94 H82 N2 O4 S2 -","- C376 H328 N8 O16 S8 -","4","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.1718","0.1193","","","0.3121","0.3619","","","","","","1.21","","","","has coordinates","278414","2022-10-07","00:50:08",""
"1567634","12.745","0.004","14.782","0.004","19.522","0.004","82.434","0.012","83.954","0.019","80.211","0.017","3579.8","1.7","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H48 Cl6 N2 O8 S2 -","- C79 H47 Cl3 N2 O8 S2 -","- C158 H94 Cl6 N4 O16 S4 -","2","1","","Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi","Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes","Chemical Science","2022","13","37","11174","11182","10.1039/D2SC03167A","","","1.54178","CuKα","","0.0847","0.063","","","0.1836","0.2017","","","","","","1.052","","","","has coordinates,has disorder","278414","2022-10-07","00:50:08",""
"1567635","21.5982","0.001","21.5982","0.001","6.9071","0.0004","90","","90","","120","","2790.4","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(ee-2)0.902(ee-2-CO2)0.690","","","- C24.24 H31.47 N3.18 O7.38 Zn2 -","- C24.242 H31.472 N3.184 O7.788 Zn2 -","- C72.726 H94.416 N9.552 O23.364 Zn6 -","3","0.5","","Siegelman, Rebecca L.; Thompson, Joshua A.; Mason, Jarad; McDonald, Thomas M.; Long, Jeffrey R.","A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas","Chemical Science","2022","","","","","10.1039/D2SC03570G","","","0.7288","synchrotron","","0.0395","0.0335","","","0.0877","0.0906","","","","","","1.086","","","","has coordinates,has disorder","277814","2022-09-13","22:11:06",""
"1567636","8.8663","0.0014","8.793","0.0014","10.1594","0.0016","90","","108.871","0.005","90","","749.5","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N O S -","- C17 H19 N O S -","- C34 H38 N2 O2 S2 -","2","1","","Zhang, Jian-Xin; Yang, Peng-Fei; Shu, Wei","Access to Dialkylated Allylic Stereogenic Centers by Ni-Catalysed Enantioselective Hydrovinylation of Unactivated Alkenes","Chemical Science","2022","","","","","10.1039/D2SC04350E","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0657","0.0658","","","","","","1.062","","","","has coordinates","277815","2022-09-13","22:11:31",""
"1567637","6.3182","0.0001","39.6141","0.0008","7.7124","0.0002","90","","111.769","0.001","90","","1792.68","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Cooper, Phillippa; Dalling, Andrew G.; Farrar, Elliot H. E.; Aldhous, Timothy P.; Grélaud, Simon; Lester, Eleanor; Feron, Lyman J.; Kemmitt, Paul D.; Grayson, Matthew N.; Bower, John F.","Atom and step economical synthesis of acyclic quaternary centers via iridium-catalyzed hydroarylative cross-coupling of 1,1-disubstituted alkenes","Chemical Science","2022","13","37","11183","11189","10.1039/D2SC02790A","","","0.71073","MoKα","","0.0777","0.055","","","0.1085","0.1172","","","","","","1.096","","","","has coordinates","278408","2022-10-07","00:48:33",""
"1567638","8.3312","0.0014","9.6506","0.0016","11.797","0.002","94.261","0.004","107.335","0.004","112.326","0.003","818.4","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","HB4411","Sung, Jiha","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2022","7","9","x220885","","10.1107/S2414314622008859","","","0.71073","MoKα","","0.0967","0.0569","","","0.1321","0.2044","","","","","","1.128","","","","has coordinates,has Fobs","277824","2022-09-14","01:49:22",""
"1567639","7.4776","0.0001","19.104","0.0002","26.0919","0.0003","90","","90","","90","","3727.28","0.08","112.3","0.7","112.3","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C160 H112 I16 N16 O16 -","8","1","GG4010","Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)","IUCrData","2022","7","9","x220895","","10.1107/S2414314622008951","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0435","0.0443","","","","","","1.087","","","","has coordinates,has Fobs","277825","2022-09-14","01:50:16",""
"1567640","27.653","0.004","27.653","0.004","44.488","0.009","90","","90","","120","","29462","8","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C160 H204 N84 O72 Pd6 -","- C160 H204 N69 O27 Pd6 -","- C640 H816 N276 O108 Pd24 -","4","0.333333","","Chakraborty, Debsena; Saha, Rupak; Clegg, Jack Kay; Mukherjee, Partha Sarathi","Selective separation of planar and non-planar hydrocarbons using an aqueous Pd6 interlocked cage","Chemical Science","2022","","","","","10.1039/D2SC04660A","","","0.7108","synchrotron","","0.112","0.091","","","0.2931","0.3221","","","","","","1.066","","","","has coordinates","277844","2022-09-14","22:08:02",""
"1567641","6.36017","0.00018","7.8529","0.0002","20.1551","0.001","91.523","0.004","91.016","0.004","93.88","0.002","1003.81","0.06","129","14","129","14","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0375","0.0344","","","0.0768","0.0788","","","","","","1.033","","","","has coordinates","277845","2022-09-14","22:09:06",""
"1567642","10.6941","0.0003","8.218","0.0002","46.3766","0.0014","90","","90","","90","","4075.8","0.2","296","0.3","296","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C168 H232 Br8 O32 -","8","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0444","0.043","","","0.1083","0.1094","","","","","","1.051","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567643","6.41587","0.00011","12.0405","0.0003","13.3039","0.0003","94.139","0.002","91.6023","0.0017","101.288","0.0017","1004.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0412","0.0361","","","0.096","0.0986","","","","","","1.06","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567644","5.8614","0.0002","15.5412","0.0007","14.8746","0.0007","90","","90.764","0.004","90","","1354.85","0.1","119.99","0.1","119.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 O3 -","- C14 H26 O3 -","- C56 H104 O12 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.084","0.0735","","","0.1494","0.1561","","","","","","1.088","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567645","14.0432","0.0005","7.0309","0.0003","21.1186","0.0008","90","","100.447","0.004","90","","2050.61","0.14","119.99","0.1","119.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C84 H116 Br4 O16 -","4","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0292","0.0264","","","0.0677","0.0691","","","","","","1.072","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567646","6.28197","0.00017","12.2599","0.0004","19.1503","0.0005","89.562","0.002","87.114","0.002","78.209","0.003","1441.93","0.07","120","0.1","120","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C35 H38 O4 -","- C35 H38 O4 -","- C70 H76 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0825","0.0729","","","0.182","0.189","","","","","","1.088","","","","has coordinates,has disorder","277845","2022-09-14","22:09:07",""
"1567647","7.44418","0.0001","11.53654","0.00018","12.84945","0.00019","69.1422","0.0014","81.678","0.0012","84.3027","0.0012","1018.98","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C42 H58 Br2 O8 -","2","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0251","0.0247","","","0.062","0.0623","","","","","","1.053","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567648","10.5777","0.0002","41.8595","0.0007","10.6059","0.0002","90","","115.198","0.001","90","","4249.18","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl (R)-(1-([1,1'-biphenyl]-4-yl)-2-oxo-2-phenylethyl)carbamate","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","4","","Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei","Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter.","Chemical science","2022","13","39","11648","11655","10.1039/d2sc03552a","","","1.54178","CuKα","","0.0425","0.0386","","","0.103","0.1071","","","","","","1.02","","","","has coordinates","278981","2022-11-07","05:20:19",""
"1567649","13.2426","0.0005","7.9314","0.0003","15.6465","0.0005","90","","101.402","0.002","90","","1610.96","0.1","100","","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cr(Cp)(CH(SiMe3)2)Cl]2","di[(bistrimethylsilyl)methyl)(cyclopentadienyl)chromium(chlorido)]","","- C24 H48 Cl2 Cr2 Si4 -","- C24 H48 Cl2 Cr2 Si4 -","- C48 H96 Cl4 Cr4 Si8 -","2","0.5","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.0492","0.0373","","","0.0977","0.1036","","","","","","1.07","","","","has coordinates","278407","2022-10-07","00:48:21",""
"1567650","9.3657","0.0005","16.7589","0.0009","14.5402","0.0009","90","","105.649","0.003","90","","2197.6","0.2","100","2","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","[Cr(tttCp)(Indenyl)]","(1,2,4-tri(tertbutyl)cyclopentadienyl)(indenyl)chromium(II)","","- C26 H36 Cr -","- C26 H36 Cr -","- C104 H144 Cr4 -","4","1","","Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe","Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs","Chemical Science","2022","13","37","11091","11098","10.1039/D2SC04235E","","x-ray","0.71073","MoKα","","0.03","0.0268","","","0.0683","0.0701","","","","","","1.033","","","","has coordinates","278407","2022-10-07","00:48:22",""
"1567651","8.405","0.001","11.029","0.002","11.52","0.003","89.1","0.02","77.06","0.02","87.17","0.02","1039.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 4-aminobenzoate","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","HB4410","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J.","Isopropyl 4-aminobenzoate","IUCrData","2022","7","9","x220904","","10.1107/S241431462200904X","","","0.71073","MoKα","","0.2383","0.0827","","","0.1032","0.1351","","","","","","0.975","","","","has coordinates,has Fobs","277912","2022-09-16","01:05:19",""
"1567652","22.0567","0.0003","7.5133","0.0001","32.5379","0.0006","90","","109.612","0.002","90","","5079.32","0.15","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 Cl N2 -","- C29.5 H31 Cl N2 -","- C236 H248 Cl8 N16 -","8","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0732","0.0655","","","0.1823","0.1908","","","","","","1.065","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567653","7.8864","0.0003","9.9577","0.0004","15.3148","0.0004","75.304","0.003","85.678","0.003","67.535","0.004","1074.74","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N2 O -","- C27 H26 N2 O -","- C54 H52 N4 O2 -","2","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0432","0.0407","","","0.1111","0.1142","","","","","","1.04","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567654","10.7317","0.0003","5.511","0.0002","27.4878","0.0009","90","","99.361","0.001","90","","1604.05","0.09","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl N -","- C21 H16 Cl N -","- C84 H64 Cl4 N4 -","4","1","","Li, Quanzhe; Gu, Xintao; Wei, Yin; Shi, Min","Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond formation: desulfonylative C(sp<sup>2</sup>)-H functionalization.","Chemical science","2022","13","39","11623","11632","10.1039/d2sc02822k","","","0.71073","MoKα","","0.073","0.063","","","0.1706","0.1848","","","","","","1.031","","","","has coordinates","278980","2022-11-07","05:20:10",""
"1567655","20.6359","0.0004","5.1809","0.0001","27.7349","0.0006","90","","104.528","0.002","90","","2870.4","0.1","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H28 Br4 N4 O4 -","- C24 H28 Br4 N4 O4 -","- C96 H112 Br16 N16 O16 -","4","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1044","0.1031","","0.0666","0.0656","0.0666","","","","","","1.1565","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567656","14.0017","0.0003","8.2362","0.0001","19.1456","0.0004","90","","104.636","0.002","90","","2136.24","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I4 N2 O4 -","- C18 H14 I4 N2 O4 -","- C72 H56 I16 N8 O16 -","4","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0716","0.0694","","0.1791","0.1752","0.1791","","","","","","1.0359","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567657","11.9316","0.0003","12.2715","0.0005","15.2444","0.0007","73.159","0.004","73.857","0.003","79.026","0.003","2037.41","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 I4 N8 -","- C14 H8 I4 N8 -","- C56 H32 I16 N32 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1306","0.1252","","0.1122","0.1083","0.1122","","","","","","1.1626","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567658","7.2152","0.0002","8.0923","0.0003","12.5451","0.0004","87.957","0.003","82.964","0.003","66.841","0.003","668.32","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","- C26 H34 N2 O4 S4 -","1","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0252","0.0245","","0.0703","0.0696","0.0703","","","","","","0.9995","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567659","10.1072","0.0007","11.4012","0.0008","11.5402","0.0009","94.868","0.006","95.841","0.006","112.726","0.007","1208.99","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 F2 N4 O4 -","- C24 H30 F2 N4 O4 -","- C48 H60 F4 N8 O8 -","2","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.076","0.0509","","0.1584","0.1349","0.1584","","","","","","0.9792","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567660","15.5783","0.0002","7.9499","0.0001","29.5587","0.0003","90","","90.3204","0.001","90","","3660.67","0.08","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 Se4 -","- C16 H18 N2 Se4 -","- C128 H144 N16 Se32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0266","0.025","","0.0625","0.0614","0.0625","","","","","","1.0394","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567661","16.0349","0.0003","15.8463","0.0004","19.0464","0.0004","90","","90","","90","","4839.57","0.18","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 N2 O4 Se4 -","- C22 H26 N2 O4 Se4 -","- C176 H208 N16 O32 Se32 -","8","1","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0502","0.0399","","0.119","0.1076","0.119","","","","","","1.0194","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567662","15.105","0.0002","7.8801","0.0001","28.9196","0.0003","90","","90.6804","0.0012","90","","3442.03","0.07","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H18 N2 S4 -","- C16 H18 N2 S4 -","- C128 H144 N16 S32 -","8","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0486","0.0418","","0.1183","0.1073","0.1183","","","","","","1.0088","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567663","6.4567","0.0007","8.6728","0.0009","13.3795","0.0013","90","","92.32","0.009","90","","748.61","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F2 N2 Te2 -","- C14 H12 F2 N2 Te2 -","- C28 H24 F4 N4 Te4 -","2","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","0.71073","MoKα","","0.0646","0.0337","","0.0707","0.058","0.0707","","","","","","1.0063","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567664","10.7335","0.0001","10.5743","0.0001","18.0208","0.0001","90","","95.2723","0.0007","90","","2036.69","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 Te4 -","- C16 H18 N2 Te4 -","- C64 H72 N8 Te16 -","4","2","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.0263","0.0249","","0.0606","0.06","0.0606","","","","","","0.9937","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567665","4.7183","0.0013","12.508","0.003","13.014","0.004","78.569","0.008","86.876","0.008","82.105","0.008","745.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Br0 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1903","0.0879","","","0.2131","0.2603","","","","","","0.892","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567666","14.7104","0.0007","14.7104","0.0007","23.995","0.002","90","","90","","90","","5192.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H64 N8 O8 -","- C56 H64 N8 O8 -","- C224 H256 N32 O32 -","4","0.5","","Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam","A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission.","Chemical science","2022","13","39","11506","11512","10.1039/d2sc04187a","","","0.71073","MoKα","","0.1962","0.0778","","","0.1959","0.2363","","","","","","0.88","","","","has coordinates","278979","2022-11-07","05:20:02",""
"1567667","10.2821","0.0007","10.1551","0.0009","6.3699","0.0005","90","","90","","90","","665.12","0.09","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Cd S4 Si Sr -","- Cd S4 Si Sr -","- Cd4 S16 Si4 Sr4 -","4","0.5","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0533","0.0594","","","","","","1.204","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567668","12.2216","0.0005","20.5008","0.0009","20.8426","0.001","90","","90","","90","","5222.2","0.4","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Ga2 S4 Sr -","- Ga2 S4 Sr -","- Ga64 S128 Sr32 -","32","1","","Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties","Chemical Science","2022","13","36","10725","10733","10.1039/D2SC03760B","","","0.71073","MoKα","","0.0338","0.0228","","","0.0591","0.0627","","","","","","1.174","","","","has coordinates","278050","2022-09-21","22:06:19",""
"1567669","23.7933","0.0013","57.27","0.003","13.4957","0.0007","90","","109.688","0.002","90","","17314.8","1.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H44 F4 N8 O3 S5 -","- C74 H40 F4 N8 O3 S5 -","- C592 H320 F32 N64 O24 S40 -","8","1","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.1304","0.1201","","","0.3265","0.3405","","","","","","1.066","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1567670","13.457","0.002","23.14","0.004","30.127","0.005","70.475","0.007","86.756","0.007","80.476","0.007","8720","2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 F0.5 N16 O4.5 S5 -","- C60.5 H10 F4 N8 O2 S5 -","- C242 H40 F16 N32 O8 S20 -","4","2","","Luo, Zhenghui; Gao, Yuan; Lai, Hanjian; Li, Yuxiang; Wu, Ziang; Chen, Zhanxiang; Sun, Rui; Ren, Jiaqi; Zhang, Cai’e; He, Feng; Woo, HanYoung; Min, Jie; Yang, Chuluo","Asymmetric side-chain substitution enables a 3D network acceptor with hydrogen bond assisted crystal packing and enhanced electronic coupling for efficient organic solar cells","Energy & Environmental Science","2022","15","11","4601","4611","10.1039/D2EE01848A","","","1.54178","CuKα","","0.2085","0.1764","","","0.4153","0.448","","","","","","0.899","","","","has coordinates","280173","2023-01-06","09:40:00",""
"1567671","8.9115","0.0006","18.9555","0.0013","9.6086","0.0008","90","","104.43","0.003","90","","1571.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3-(furan-2-ylmethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)phenol","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Tavernier, Romain; Granado, Lérys; Tillard, Monique; Van Renterghem, Louis; Métro, Thomas-Xavier; Lamaty, Frédéric; Bonnaud, Leïla; Raquez, Jean-Marie; David, Ghislain; Caillol, Sylvain","Solvent-free synthesis of a formaldehyde-free benzoxazine monomer: study of its curing acceleration effect for commercial benzoxazine","Polymer Chemistry","2022","13","40","5745","5756","10.1039/D2PY00462C","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.1033","0.1067","","","","","","1.036","","","","has coordinates","279028","2022-11-07","05:55:11",""
"1567672","22.26","0.008","14.479","0.006","22.541","0.008","90","","106.1","0.04","90","","6980","5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H80 Cl2 N4 Pd2 -","- C74 H80 Cl2 N4 Pd2 -","- C296 H320 Cl8 N16 Pd8 -","4","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.4374","0.1364","","","0.2642","0.3906","","","","","","0.839","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567676","15.0811","0.0006","11.4764","0.0004","18.5521","0.0007","90","","90.197","0.001","90","","3210.9","0.2","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DPMGePh","","- C39 H36 Ge N2 -","- C39 H36 Ge N2 -","- C156 H144 Ge4 N8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0523","0.0383","","","0.1272","0.1336","","","","","","0.938","","","","has coordinates","278976","2022-11-07","05:19:24",""
"1567677","7.9949","0.0005","21.1802","0.0014","19.6152","0.0013","90","","99.409","0.003","90","","3276.8","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(S)Ph","","- C39 H36 Ge N2 S -","- C39 H36 Ge N2 S -","- C156 H144 Ge4 N8 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0953","0.0887","","","0.2482","0.2521","","","","","","1.141","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567678","13.302","0.002","9.7758","0.0016","28.456","0.004","90","","93.909","0.005","90","","3691.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGeN(TMS)2","","- C39 H49 Ge N3 Si2 -","- C39 H49 Ge N3 Si2 -","- C156 H196 Ge4 N12 Si8 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.065","0.0507","","","0.1478","0.1643","","","","","","1.123","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567679","13.7954","0.0007","12.2314","0.0006","23.9124","0.0012","90","","90.032","0.002","90","","4034.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(Se)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 Se2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 Se4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0369","0.0316","","","0.1179","0.1244","","","","","","1.039","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567680","8.0415","0.0003","21.217","0.0008","19.7259","0.0007","90","","99.617","0.001","90","","3318.3","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DPMGe(Se)Ph","","- C39 H36 Ge N2 Se -","- C39 H36 Ge N2 Se -","- C156 H144 Ge4 N8 Se4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0406","0.0311","","","0.0689","0.0708","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567681","8.9661","0.0006","11.2946","0.0008","19.9064","0.0013","86.969","0.004","77.252","0.004","73.433","0.004","1884.5","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","DPMGe(Se)N(TMS)2","","- C39 H49 Ge N3 Se Si2 -","- C39 H49 Ge N3 Se Si2 -","- C78 H98 Ge2 N6 Se2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1096","0.0903","","","0.2538","0.2706","","","","","","1.069","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567682","8.7695","0.0014","11.3819","0.0019","21.887","0.004","76.889","0.008","86.438","0.008","72.957","0.008","2034.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","DPMGe(S)N(TMS)2","","- C42 H55 Ge N3 S Si2 -","- C42 H55 Ge N3 S Si2 -","- C84 H110 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.1019","0.0751","","","0.1963","0.2224","","","","","","1.045","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567683","10.915","0.0003","12.0113","0.0003","17.7694","0.0004","83.36","0.001","76.387","0.001","69.278","0.001","2116.37","0.09","100","2","100","","","","","","","","","8","P -1","-P 1","2","","DPMGe(S)N(TMS)2CuCl","","- C39 H49 Cl Cu Ge N3 S Si2 -","- C39 H49 Cl Cu Ge N3 S Si2 -","- C78 H98 Cl2 Cu2 Ge2 N6 S2 Si4 -","2","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0345","0.027","","","0.0643","0.0684","","","","","","1.0408","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567684","14.9611","0.0005","14.0451","0.0005","15.5244","0.0006","90","","107.287","0.001","90","","3114.79","0.19","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","DPMGe(S)OEt","","- C35 H36 Ge N2 O S -","- C35 H36 Ge N2 O S -","- C140 H144 Ge4 N8 O4 S4 -","4","1","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0454","0.0317","","","0.0889","0.0942","","","","","","1.0217","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567685","12.3707","0.0004","12.4183","0.0004","16.7015","0.0005","89.009","0.001","74.715","0.001","61.241","0.001","2151.41","0.12","100","2","100","","","","","","","","","8","P -1","-P 1","2","","(DPMGe(S)N(TMS)2CuBr)2","","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","- C84 H112 Br2 Cu2 Ge2 N6 S2 Si4 -","1","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0444","0.0342","","","0.0821","0.0888","","","","","","1.0443","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567686","13.947","0.002","12.306","0.002","23.936","0.004","90","","90.327","0.006","90","","4108.1","1.1","278","2","278","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(DPMGe(S)N(TMS)2CuI)2","","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C78 H98 Cu2 Ge2 I2 N6 S2 Si4 -","- C156 H196 Cu4 Ge4 I4 N12 S4 Si8 -","2","0.5","","Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan","Air and water stable germacarbonyl compounds","Chemical Science","2022","13","42","12382","12388","10.1039/D2SC01869A","","","0.71073","MoKα","","0.0564","0.0363","","","0.0831","0.0934","","","","","","1.0776","","","","has coordinates","278976","2022-11-07","05:19:25",""
"1567687","6.17103","0.00014","31.0014","0.0007","6.95964","0.00016","90","","93.726","0.002","90","","1328.64","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cu N2 O4 S -","- C13 H8 Cu N2 O4 S -","- C52 H32 Cu4 N8 O16 S4 -","4","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.0662","0.0607","","","0.1794","0.1853","","","","","","1.275","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567688","4.9913","0.0002","26.3098","0.0011","14.5516","0.0006","90","","95.274","0.004","90","","1902.83","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N2 O7 S -","- C19 H16 Cu N2 O7 S -","- C76 H64 Cu4 N8 O28 S4 -","4","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.0913","0.0863","","","0.2466","0.2517","","","","","","1.05","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567689","16.0233","0.0003","14.6001","0.0002","16.6104","0.0003","90","","90","","90","","3885.87","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C136 H144 N16 O56 S8 Zn8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.1091","0.1053","","","0.2829","0.2904","","","","","","1.099","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567690","16.10966","0.00019","14.61582","0.00019","16.4897","0.0002","90","","90","","90","","3882.6","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cu N2 O7 S -","- C17 H18 Cu N2 O7 S -","- C136 H144 Cu8 N16 O56 S8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.0837","0.0788","","","0.2571","0.263","","","","","","1.083","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567691","19.0804","0.0017","4.6758","0.0003","10.1189","0.0008","90","","101.169","0.007","90","","885.67","0.12","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","4-Hydroxyphenyl <i>N</i>-{4-[(4-hydroxyphenoxycarbonyl)amino]phenyl}carbamate","","- C20 H16 N2 O6 -","- C20 H16 N2 O6 -","- C40 H32 N4 O12 -","2","0.5","TK4084","Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L.","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","IUCrData","2022","7","9","x220919","","10.1107/S2414314622009191","","x-ray","0.56083","AgKα","","0.0855","0.0511","","","0.1544","0.1649","","","","","","1.064","","","","has coordinates","278240","2022-09-28","02:08:41",""
"1567692","8.2745","0.0005","7.9167","0.0006","23.0663","0.0017","90","","93.225","0.004","90","","1508.61","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","HB4413","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2022","7","9","x220924","","10.1107/S2414314622009245","","","0.71073","MoKα","","0.084","0.0507","","","0.1258","0.1497","","","","","","1.084","","","","has coordinates","278241","2022-09-28","02:09:04",""
"1567693","8.1891","0.0015","8.2417","0.0015","12.813","0.003","81.632","0.009","81.394","0.01","66.649","0.008","781.5","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","","- C20 H12 N2 O2 S -","- C20 H12 N2 O2 S -","- C40 H24 N4 O4 S2 -","2","1","BH4070","Okuno, Tsunehisa; Doi, Ikue","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","IUCrData","2022","7","9","x220942","","10.1107/S2414314622009427","","","0.71075","MoKα","","0.0476","0.0373","","","0.0921","0.0997","","","","","","1.091","","","","has coordinates","278242","2022-09-28","02:09:25",""
"1567694","15.8594","0.0007","5.0437","0.0002","40.6908","0.0017","90","","90.507","0.002","90","","3254.7","0.2","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","TK4085","Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","IUCrData","2022","7","9","x220932","","10.1107/S2414314622009324","","","1.54178","CuKα","","0.0389","0.037","","","0.0962","0.0978","","","","","","1.034","","","","has coordinates","278243","2022-09-28","02:09:48",""
"1567695","9.5099","0.0004","9.8152","0.0004","13.7004","0.0005","90","","105.846","0.001","90","","1230.22","0.09","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O2 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0586","0.0438","","","0.0939","0.1015","","","","","","1.066","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567696","9.2899","0.0002","10.6993","0.0002","13.1402","0.0003","90","","107.074","0.001","90","","1248.51","0.05","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C68 H52 O4 -","2","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.0787","0.05","","","0.1117","0.1254","","","","","","1.048","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567697","10.356","0.003","31.286","0.008","9.517","0.002","90","","108.01","0.004","90","","2932.4","1.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 F2 O2 -","- C36 H36 F2 O2 -","- C144 H144 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1124","0.0667","","","0.1611","0.1882","","","","","","1.055","","","","has coordinates,has disorder","278968","2022-11-07","05:14:07",""
"1567698","13.893","0.003","9.559","0.002","23.43","0.006","90","","98.908","0.013","90","","3074","1.2","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl3 F2 O2 -","- C33 H29 Cl3 F2 O2 -","- C132 H116 Cl12 F8 O8 -","4","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1166","0.0857","","","0.2567","0.2958","","","","","","1.025","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567699","26.6644","0.0013","42.3661","0.0013","9.7021","0.0003","90","","104.927","0.002","90","","10590.3","0.7","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 P3 Si3 -","- C48 H57 P3 Si3 -","- C384 H456 P24 Si24 -","8","1","","Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha","[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins","Chemical Science","2022","13","41","12239","12244","10.1039/D2SC03073J","","","0.71073","MoKα","","0.1029","0.0642","","","0.1414","0.1576","","","","","","1.039","","","","has coordinates","278968","2022-11-07","05:14:07",""
"1567700","9.1786","0.0003","18.5224","0.0007","9.2041","0.0003","90","","107.616","0.001","90","","1491.41","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C64 H72 O16 S4 -","4","1","","Zhang, Chun; Yang, Man; Qiu, Yanjie; Song, Meijun; Wang, Hongyan; Yang, Min; Xie, Wenlin; Wu, Jie; Ye, Shengqing","Alkoxysulfonyl Radical Species: Acquisition and Transformation towards Sulfonate Esters through Electrochemistry","Chemical Science","2022","","","","","10.1039/D2SC04027A","","x-ray","0.71073","MoKα","","0.0472","0.0349","","","0.0831","0.0894","","","","","","1.026","","","","has coordinates","278280","2022-09-30","22:07:17",""
"1567701","11.5469","0.0015","8.3647","0.0011","15.835","0.002","90","","105.211","0.002","90","","1475.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 S -","- C14 H20 O4 S -","- C56 H80 O16 S4 -","4","1","","Zhang, Chun; Yang, Man; Qiu, Yanjie; Song, Meijun; Wang, Hongyan; Yang, Min; Xie, Wenlin; Wu, Jie; Ye, Shengqing","Alkoxysulfonyl Radical Species: Acquisition and Transformation towards Sulfonate Esters through Electrochemistry","Chemical Science","2022","","","","","10.1039/D2SC04027A","","","0.71073","MoKα","","0.0523","0.0379","","","0.1025","0.1099","","","","","","0.984","","","","has coordinates","278280","2022-09-30","22:07:17",""
"1567702","7.9494","0.0001","10.2838","0.0001","24.4594","0.0003","90","","90","","90","","1999.56","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0923","0.0935","","","","","","0.986","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567703","10.2503","0.0002","10.2503","0.0002","18.6428","0.0004","90","","90","","120","","1696.35","0.06","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C84 H75 N3 O6 S3 -","3","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0303","0.0299","","","0.0819","0.0828","","","","","","1.046","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567704","9.4589","0.0006","9.3504","0.0005","12.948","0.0008","90","","110.298","0.007","90","","1074.06","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C54 H46 N2 O4 S2 -","2","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0785","0.0798","","","","","","1.123","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567705","6.444","0.0008","8.3645","0.0011","24.703","0.003","90","","90","","90","","1331.5","0.3","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0396","0.0364","","","0.0871","0.0888","","","","","","1.111","","","","has coordinates","278327","2022-10-03","22:04:24",""
"1567706","6.0803","0.0003","8.5188","0.0004","13.8407","0.0006","90","","90.32","0.002","90","","716.89","0.06","123","","123","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl O2 -","- C17 H17 Cl O2 -","- C34 H34 Cl2 O4 -","2","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0249","0.0247","","","0.0665","0.0667","","","","","","1.05","","","","has coordinates","278327","2022-10-03","22:04:25",""
"1567707","6.4656","0.0002","13.7036","0.0005","17.0877","0.0007","90","","90","","90","","1514","0.1","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C76 H80 O8 S4 -","4","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0273","0.0263","","","0.0648","0.0654","","","","","","1.093","","","","has coordinates","278327","2022-10-03","22:04:25",""
"1567708","26.505","0.006","5.5966","0.0007","9.4104","0.0011","90","","98.519","0.015","90","","1380.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1258","0.0726","","","0.1669","0.2072","","","","","","1.066","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567709","5.5956","0.0004","23.7388","0.0013","9.2195","0.0006","90","","99.725","0.007","90","","1207.05","0.14","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenyl-1H-indole-1-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0725","0.0519","","","0.1231","0.1371","","","","","","1.082","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567710","8.0666","0.0006","12.7868","0.0008","15.6641","0.0011","77.581","0.006","87.401","0.006","78.419","0.006","1545.76","0.19","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H13 B Cl F15 N2 O -","- C34 H13 B Cl F15 N2 O -","- C68 H26 B2 Cl2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0703","0.0451","","","0.094","0.1125","","","","","","0.969","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567711","7.9694","0.0004","12.4723","0.0008","15.5816","0.0008","78.311","0.005","86.618","0.004","79.065","0.004","1488.76","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H14 B F15 N2 O -","- C34 H14 B F15 N2 O -","- C68 H28 B2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0718","0.0443","","","0.0878","0.1047","","","","","","1.062","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567712","15.121","0.002","6.9264","0.0007","9.8879","0.0013","90","","109.906","0.014","90","","973.7","0.2","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H7 B Cl3 N -","- C8 H7 B Cl3 N -","- C32 H28 B4 Cl12 N4 -","4","0.5","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0518","0.0378","","","0.0754","0.083","","","","","","1.118","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567713","12.7275","0.0004","16.2624","0.0004","19.5564","0.0006","69.141","0.003","77.001","0.003","87.734","0.002","3681.9","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H17 B Br Cl4 F10 N3 O2 -","- C36 H17 B Br Cl3.99995 F10 N3 O2 -","- C144 H68 B4 Br4 Cl15.9998 F40 N12 O8 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0699","0.0584","","","0.1632","0.1792","","","","","","1.04","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567714","10.0506","0.0006","12.4111","0.0009","19.1784","0.0012","99.504","0.005","93.559","0.005","90.568","0.005","2354.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl N2 O Si -","- C25 H25 Cl N2 O Si -","- C100 H100 Cl4 N8 O4 Si4 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.1023","0.0588","","","0.1384","0.1677","","","","","","0.966","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567715","16.5207","0.0004","9.9632","0.0002","34.818","0.0009","90","","91.771","0.002","90","","5728.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyclohexyl-1,1-dipropylurea","","- C13 H26 N2 O -","- C13 H26 N2 O -","- C208 H416 N32 O16 -","16","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0721","0.0559","","","0.1568","0.1717","","","","","","1.052","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567716","22.5646","0.0017","13.0075","0.001","8.9569","0.001","90","","95.53","0.008","90","","2616.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1563","0.065","","","0.1463","0.193","","","","","","1.072","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567717","5.6086","0.0002","9.3087","0.0003","23.8205","0.0007","90","","90.95","0.003","90","","1243.47","0.07","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Cl F5 N O -","- C13 H5 Cl F5 N O -","- C52 H20 Cl4 F20 N4 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0431","0.0377","","","0.0997","0.1053","","","","","","1.043","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567718","5.7822","0.0003","12.3852","0.0006","27.1093","0.0014","90","","90","","90","","1941.4","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0764","0.0667","","","0.1709","0.1829","","","","","","1.027","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567719","9.6609","0.0007","6.3361","0.0005","19.6298","0.0014","90","","96.172","0.003","90","","1194.62","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Dhara, Samiran; Saha, Moumita; Das, Asish R.","Ligand-free access to benzisothiazolones and benzisoselenazolones through NiFe <sub>2</sub> O <sub>4</sub> catalyzed concomitant annulation of 2-halobenzanilides with chalcogens and their late-stage transformations","New Journal of Chemistry","2022","46","40","19501","19513","10.1039/D2NJ04326B","","","0.71073","MoKα","","0.0677","0.0645","","","0.1727","0.1767","","","","","","1.04","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1567720","7.6534","0.0016","8.6079","0.0015","11.369","0.002","94.433","0.007","97.953","0.008","97.019","0.007","732.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C36 H26 N2 O8 -","2","1","BT4126","Vinaya; Basavaraju, Yeriyur B.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","IUCrData","2022","7","10","x220957","","10.1107/S2414314622009579","","","0.71073","MoKα","","0.0644","0.0459","","","0.1253","0.1367","","","","","","1.077","","","","has coordinates","279116","2022-11-08","19:41:33",""
"1567721","18.8119","0.0002","27.697","0.0002","31.3398","0.0003","90","","90","","90","","16329.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0918","0.0815","","","0.2257","0.2437","","","","","","1.076","","","","has coordinates","278357","2022-10-05","06:09:11",""
"1567722","20.5564","0.0014","25.7288","0.0016","26.0976","0.0017","90","","90","","90","","13802.8","1.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0479","0.0457","","","0.1107","0.1122","","","","","","1.021","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567723","18.4744","0.0002","27.7085","0.0003","31.2344","0.0003","90","","90","","90","","15988.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0882","0.0672","","","0.1685","0.1881","","","","","","1.054","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567724","20.333","0.005","25.812","0.005","26.048","0.005","90","","90","","90","","13671","5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0403","0.0366","","","0.0888","0.0903","","","","","","1.049","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567725","11.1117","0.0002","20.386","0.0003","9.6205","0.0001","90","","107.152","0.002","90","","2082.34","0.06","100","0.1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F N2 O -","- C26 H26 F N2 O -","- C104 H104 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0516","0.0477","","","0.1235","0.1278","","","","","","1.056","","","","has coordinates","278975","2022-11-07","05:16:24",""
"1567726","38.8063","0.0006","15.6732","0.0003","9.8717","0.0002","90","","90","","90","","6004.15","0.19","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H17 F O -","- C20 H17 F O -","- C320 H272 F16 O16 -","16","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0394","0.0384","","","0.0993","0.1014","","","","","","1.051","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567727","12.6548","0.0004","7.2987","0.0002","20.6049","0.0006","90","","98.643","0.001","90","","1881.53","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F N2 O -","- C23 H19 F N2 O -","- C92 H76 F4 N8 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","0.71073","MoKα","","0.064","0.04","","","0.1107","0.1179","","","","","","1.108","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567728","9.4028","0.0002","19.5701","0.0002","9.3681","0.0002","90","","115.798","0.002","90","","1552.05","0.06","100","0.1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O -","- C20 H17 Cl O -","- C80 H68 Cl4 O4 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","","1.54184","CuKα","","0.0436","0.0429","","","0.1047","0.1053","","","","","","1.087","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567729","13.8641","0.0002","10.5226","0.0001","12.1171","0.0001","90","","103.029","0.001","90","","1722.21","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F O3 -","- C22 H19 F O3 -","- C88 H76 F4 O12 -","4","1","","Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab","Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis","Chemical Science","2022","13","42","12503","12510","10.1039/D2SC04005K","","x-ray","1.54184","CuKα","","0.0433","0.0402","","","0.1059","0.1086","","","","","","1.065","","","","has coordinates","278975","2022-11-07","05:16:25",""
"1567730","30.686","0.003","7.524","0.0007","41.837","0.004","90","","97.104","0.002","90","","9585.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H57 N O6 S -","- C27 H57 N O6 S -","- C324 H684 N12 O72 S12 -","12","3","","Ravindar, Chinapaka; Reddy, S. Thirupathi; Sivaramakrishna, Dokku; Damera, Deepthi Priyanka; Swamy, Musti J.","Base-triggerable lauryl sarcosinate-dodecyl sulfate catanionic liposomes: structure, biophysical characterization, and drug entrapment/release studies.","Soft matter","2022","18","40","7814","7826","10.1039/d2sm00965j","","","0.71073","MoKα","","0.1426","0.085","","","0.1882","0.2186","","","","","","1.069","","","","has coordinates","279029","2022-11-07","05:56:00",""
"1567731","54.9549","0.0013","61.3516","0.0013","56.7355","0.0012","90","","90","","90","","191288","7","140","0.1","140","0.1","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C904 H1758 Cl24 N48 O230 Pd12 S200 -","- C384 H288 Cl24 N48 Pd12 -","- C1536 H1152 Cl96 N192 Pd48 -","4","0.25","","Li, Ru-Jin; Tarzia, Andrew; Posligua, Victor; Jelfs, Kim E.; Sanchez, Nicolas; Marcus, Adam; Baksi, Ananya; Clever, Guido H.; Fadaei-Tirani, Farzaneh; Severin, Kay","Orientational self-sorting in cuboctahedral Pd cages","Chemical Science","2022","","","","","10.1039/D2SC03856K","","x-ray","1.54184","CuKα","","0.1868","0.1224","","","0.3536","0.4058","","","","","","1.107","","","","has coordinates","278386","2022-10-06","22:13:47",""
"1567732","9.4288","0.0003","10.4362","0.0003","26.2815","0.0007","90","","96.065","0.003","90","","2571.65","0.13","296.87","0.12","296.87","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S2 -","- C27 H28 N2 O4 S2 -","- C108 H112 N8 O16 S8 -","4","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","x-ray","1.54184","CuKα","","0.0749","0.0639","","","0.1703","0.1898","","","","","","1.021","","","","has coordinates","278972","2022-11-07","05:15:04",""
"1567733","29.5374","0.0019","9.77","0.0005","24.882","0.003","90","","122.932","0.002","90","","6026.7","0.9","302","","302","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 N2 O4 S3 -","- C31 H30 N2 O4 S3 -","- C248 H240 N16 O32 S24 -","8","1","","Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer","Chemical Science","2022","13","42","12433","12439","10.1039/D2SC05210E","","","0.71073","MoKα","","0.092","0.0497","","","0.1164","0.1404","","","","","","1.018","","","","has coordinates,has disorder","278972","2022-11-07","05:15:04",""
"1567734","7.2552","0.0002","13.8552","0.0004","15.7314","0.0005","105.333","0.0016","99.3403","0.0019","101.607","0.0017","1454.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H39 F6 N O4 Si -","- C26 H39 F6 N O4 Si -","- C52 H78 F12 N2 O8 Si2 -","2","1","","Sungnoi, Wanna; Harmata, Michael","Oxidative bridgehead functionalization of (4 + 3) cycloadducts obtained from oxidopyridinium ions","RSC Advances","2022","12","44","28572","28575","10.1039/D2RA05189C","","","1.54178","CuKα","","0.0373","0.034","","","0.0876","0.0899","","","","","","1.02","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1567735","6.9848","0.0003","6.9848","0.0003","5.4744","0.0002","90","","90","","120","","231.3","0.016","100","0.7","100","0.7","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua","Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy","Crystals","2022","12","10","1342","","10.3390/cryst12101342","","x-ray","1.54184","CuKα","","0.0299","0.0299","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","278483","2022-10-07","10:07:07",""
"1567736","5.1004","0.0005","11.9664","0.0009","5.457","0.0005","90","","111.714","0.003","90","","309.43","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua","Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy","Crystals","2022","12","10","1342","","10.3390/cryst12101342","","","0.71073","MoKα","","0.0416","0.0345","","","0.1109","0.1173","","","","","","1.158","","","","has coordinates","278484","2022-10-07","10:07:39",""
"1567737","14.6017","0.0018","14.9653","0.0018","15.3953","0.0018","62.209","0.002","76.315","0.002","72.31","0.003","2817.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 In N3 S6 -","- C24 H24 In N3 S6 -","- C96 H96 In4 N12 S24 -","4","2","","Ferjani, Hela; Onwudiwe, Damian C.","Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate)","Inorganics","2022","10","10","146","","10.3390/inorganics10100146","","","0.71073","MoKα","","0.0669","0.0534","","","0.1497","0.1592","","","","","","1.118","","","","has coordinates","278485","2022-10-07","14:35:18",""
"1567738","10.56","0.002","20.205","0.004","22.352","0.004","114.814","0.004","101.57","0.004","90.753","0.004","4215.4","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H45 B8 Cl O P2 Ru2 -","- C44 H45 B8 Cl O P2 Ru2 -","- C176 H180 B32 Cl4 O4 P8 Ru8 -","4","2","","Loginov, Dmitry A.; Dolgushin, Fedor M.; Konoplev, Vitalii E.; Tachaev, Maxim V.","New Aspects of Ruthenium-Mediated Polyhedral Contraction of Monocarbollides","Inorganics","2022","10","10","158","","10.3390/inorganics10100158","","","0.71073","MoKα","","0.0696","0.0462","","","0.0941","0.1","","","","","","1.075","","","","has coordinates","278486","2022-10-07","14:35:46",""
"1567739","18.467","0.011","15.515","0.009","18.611","0.011","90","","100.17","0.011","90","","5249","5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 B8 Cl5 O P2 Ru -","- C46.0001 H49.0002 B8 Cl5.0002 O P2 Ru -","- C184 H196.001 B32 Cl20.0008 O4 P8 Ru4 -","4","1","","Loginov, Dmitry A.; Dolgushin, Fedor M.; Konoplev, Vitalii E.; Tachaev, Maxim V.","New Aspects of Ruthenium-Mediated Polyhedral Contraction of Monocarbollides","Inorganics","2022","10","10","158","","10.3390/inorganics10100158","","","0.71073","MoKα","","0.1814","0.0987","","","0.2428","0.2767","","","","","","1.009","","","","has coordinates,has disorder","278487","2022-10-07","14:36:30",""
"1567740","44.352","0.011","18.147","0.004","30.839","0.007","90","","102.49","0.009","90","","24234","10","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H90 Al8 F72 Ga2 O8 -","- C91.9966 H90 Al8 F71.9923 Ga2 O7.99915 -","- C735.973 H720 Al64 F575.939 Ga16 O63.9932 -","8","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0727","0.0415","","","0.0942","0.1072","","","","","","1.018","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567741","17.181","0.007","21.399","0.006","21.691","0.005","117.464","0.012","90.245","0.014","90.863","0.016","7075","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H66 Al4 F36 Ga N3 O4 -","- C54.996 H66 Al4 F35.991 Ga N3 O3.999 -","- C219.984 H264 Al16 F143.964 Ga4 N12 O15.996 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1249","0.0743","","","0.1716","0.2022","","","","","","1.051","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567742","10.927","0.006","17.637","0.011","19.087","0.01","94.601","0.014","97.945","0.015","98.66","0.03","3582","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.88 H67.67 Al4 F36.06 Ga N3 O3.97 -","- C56.87 H67.665 Al4 F36.045 Ga N3 O3.968 -","- C113.74 H135.33 Al8 F72.09 Ga2 N6 O7.936 -","2","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0869","0.0609","","","0.1469","0.1617","","","","","","1.052","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567743","21.369","0.008","17.024","0.003","21.581","0.007","90","","116.118","0.016","90","","7049","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H66 Al5 F36 N3 O4 -","- C55 H66 Al5 F36 N3 O4 -","- C220 H264 Al20 F144 N12 O16 -","4","1","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0523","0.0357","","","0.0841","0.094","","","","","","1.026","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567744","16.445","0.006","16.685","0.006","28.346","0.009","80.473","0.015","83.826","0.01","60.715","0.009","6687","4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.45 H49.31 Al4 F38.14 Ga O4 -","- C52.454 H49.308 Al4 F38.136 Ga O3.998 -","- C209.816 H197.232 Al16 F152.544 Ga4 O15.992 -","4","2","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0861","0.0553","","","0.1514","0.1746","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567745","22.345","0.017","26.95","0.03","29.77","0.02","88.88","0.03","70.81","0.05","70.94","0.05","15925","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.13 H46.42 Al4 F36.71 O4 Tl -","- C48.1285 H46.4163 Al4 F36.7172 O4.001 Tl -","- C481.285 H464.163 Al40 F367.172 O40.01 Tl10 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.1018","0.0583","","","0.141","0.1631","","","","","","1.031","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567746","22.327","0.006","26.903","0.008","29.692","0.009","88.983","0.007","70.929","0.009","70.884","0.007","15847","8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.1 H46.39 Al4 F36.73 In O4 -","- C48.102 H46.3922 Al4 F36.7267 In O4.0034 -","- C481.02 H463.922 Al40 F367.267 In10 O40.034 -","10","5","","Dabringhaus, Philipp; Krossing, Ingo","From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster","Chemical Science","2022","13","41","12078","12086","10.1039/D2SC04637G","","x-ray","0.71073","MoKα","","0.0911","0.0622","","","0.1666","0.192","","","","","","1.025","","","","has coordinates,has disorder","278966","2022-11-07","05:13:34",""
"1567747","24.6098","0.0002","24.6098","0.0002","24.6246","0.0004","90","","90","","90","","14913.7","0.3","296","2","296","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C40 Ca21 O278 U24 -","- C40 Ca21 O278 U24 -","- C80 Ca42 O556 U48 -","2","0.25","","Tyumentseva, Olga S.; Kornyakov, Ilya V.; Kasatkin, Anatoly V.; Plášil, Jakub; Krzhizhanovskaya, Maria G.; Krivovichev, Sergey V.; Burns, Peter C.; Gurzhiy, Vladislav V.","One of Nature’s Puzzles Is Assembled: Analog of the Earth’s Most Complex Mineral, Ewingite, Synthesized in a Laboratory","Materials","2022","15","19","6643","","10.3390/ma15196643","","x-ray","0.71073","MoKα","","0.0731","0.0603","","","0.1312","0.1377","","","","","","1.09","","","","has coordinates,has disorder","278496","2022-10-08","00:30:02",""
"1567748","9.97","0.0004","11.8236","0.0005","13.3559","0.0005","90","","90","","90","","1574.41","0.11","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","2-imidizolidinone","2-imidizolidinone","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C48 H96 N32 O16 -","16","0.5","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0535","0.0524","","","0.1273","0.1285","","","","","","1.136","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567749","5.25069","0.00016","7.8976","0.0003","11.4023","0.0004","82.781","0.003","79.266","0.003","84.108","0.003","459.35","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","ammonium hexafluorophosphate 2-imidizolidinone cocrystal","","- C3 H10 F6 N3 O P -","- C3 H10 F6 N3 O P -","- C6 H20 F12 N6 O2 P2 -","2","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0718","0.0661","","","0.195","0.2019","","","","","","1.117","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567750","14.6572","0.0004","3.71857","0.00012","20.3958","0.0007","90","","108.778","0.003","90","","1052.48","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0467","0.0415","","","0.1168","0.1222","","","","","","1.041","","","","has coordinates","278969","2022-11-07","05:14:20",""
"1567751","24.756","0.0005","4.29","0.0001","17.8827","0.0003","90","","107.988","0.002","90","","1806.37","0.07","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium dinitramide 2-imidizolidinone cocrystal","ammonium dinitramide 2-imidizolidinone cocrystal","","- C3 H10 N6 O5 -","- C3 H10 N6 O5 -","- C24 H80 N48 O40 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0611","0.0587","","","0.188","0.1927","","","","","","1.047","","","","has coordinates,has disorder","278969","2022-11-07","05:14:20",""
"1567752","14.7309","0.0005","3.59237","0.00011","20.2453","0.0007","90","","108.791","0.004","90","","1014.25","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium dinitramide urea cocrystal","ammonium dinitramide urea cocrystal","","- C2 H12 N8 O6 -","- C2 H12 N8 O6 -","- C8 H48 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0417","0.0396","","","0.1109","0.1131","","","","","","1.076","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567753","11.4292","0.0005","5.5925","0.0002","11.1451","0.0004","90","","92.547","0.004","90","","711.67","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","ammonium hexafluorophosphate pyrazine-1,4-dioxide cocrystal","","- C2 H6 F6 N2 O P -","- C2 H6 F6 N2 O P -","- C8 H24 F24 N8 O4 P4 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","","1.54184","CuKα","","0.0788","0.0732","","","0.2177","0.2254","","","","","","1.12","","","","has coordinates,has disorder","278969","2022-11-07","05:14:21",""
"1567754","7.67243","0.00012","8.07957","0.00012","24.2351","0.0004","90","","90","","90","","1502.33","0.04","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H8 F6 N3 O P -","- C H8 F6 N3 O P -","- C8 H64 F48 N24 O8 P8 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","x-ray","1.54184","CuKα","","0.0364","0.0339","","","0.0942","0.0964","","","","","","1.059","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567755","21.6373","0.0004","23.8035","0.0004","34.2827","0.0006","96.657","0.001","100.949","0.001","100.389","0.001","16844","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C312 H362 Ag30 B3 Cl5 N4 P8 Pt S14 -","- C312 H362 Ag30 B3 Cl5 N4 P8 Pt S14 -","- C624 H724 Ag60 B6 Cl10 N8 P16 Pt2 S28 -","2","1","","Wang, Silan; Li, Qinzhen; Yang, Sha; Yu, Haizhu; Chai, Jinsong; Zhu, Manzhou","H-bond-induced luminescence enhancement in Pt1Ag30 nanocluster and its application in methanol detection","Nanoscale","2022","","","","","10.1039/D2NR03387A","","","1.54186","CuKα","","0.1227","0.0968","","","0.2662","0.3053","","","","","","1.045","","","","has coordinates","278516","2022-10-11","00:06:51",""
"1567756","14.4807","0.0002","27.8595","0.0005","18.7836","0.0002","90","","90","","90","","7577.77","0.19","173","0.1","173","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C66.95 H108.34 N0.52 O21.95 V6 -","- C66.958 H108.346 N0.523 O21.955 V6 -","- C267.832 H433.384 N2.092 O87.82 V24 -","4","0.5","","Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M.","Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster.","Chemical science","2022","13","43","12726","12737","10.1039/d2sc04843d","","x-ray","1.54184","CuKα","","0.0843","0.0644","","","0.1861","0.2032","","","","","","1.038","","","","has coordinates,has disorder","280168","2023-01-06","09:35:35",""
"1567757","8.092","0.0002","5.9484","0.0001","19.5057","0.0004","90","","98.051","0.002","90","","929.64","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 F O4 -","- C21 H23 F O4 -","- C42 H46 F2 O8 -","2","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","","1.54184","CuKα","","0.0312","0.0289","","","0.0721","0.0733","","","","","","1.044","","","","has coordinates","278974","2022-11-07","05:16:04",""
"1567758","7.5543","0.0001","10.058","0.0001","28.1125","0.0002","90","","90","","90","","2136.02","0.04","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O4 S2 -","- C23 H21 F O4 S2 -","- C92 H84 F4 O16 S8 -","4","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","x-ray","1.54184","CuKα","","0.0223","0.0223","","","0.0585","0.0586","","","","","","1.097","","","","has coordinates","278974","2022-11-07","05:16:06",""
"1567759","5.7302","0.0007","9.9783","0.0012","11.5048","0.0017","83.662","0.004","89.167","0.005","86.054","0.004","652.23","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20.2 N2 O2.1 -","- C13 H20.196 N2 O2.098 -","- C26 H40.392 N4 O4.196 -","2","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","0.71073","MoKα","","0.0495","0.0367","","","0.0867","0.092","","","","","","1.045","","","","has coordinates,has disorder","278965","2022-11-07","05:12:47",""
"1567760","11.2115","0.0008","11.5329","0.0009","11.145","0.0008","90","","104.981","0.004","90","","1392.08","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0381","0.0343","","","0.0829","0.0853","","","","","","1.101","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567761","31.0762","0.0014","9.4685","0.0004","12.1756","0.0005","90","","91.156","0.002","90","","3581.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 B F3 N2 O3 -","- C13 H20 B F3 N2 O3 -","- C104 H160 B8 F24 N16 O24 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0504","0.0451","","","0.121","0.124","","","","","","1.051","","","","has coordinates","278965","2022-11-07","05:12:48",""
"1567762","16.617","0.0005","11.8972","0.0003","22.9385","0.0007","90","","90","","90","","4534.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H34 N2 O5 S -","- C22 H34 N2 O5 S -","- C176 H272 N16 O40 S8 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0595","0.0525","","","0.1348","0.1402","","","","","","1.05","","","","has coordinates,has disorder","278965","2022-11-07","05:12:48",""
"1567763","4.5926","0.0003","5.6626","0.0004","12.165","0.0008","86.311","0.002","88.909","0.002","81.003","0.002","311.81","0.04","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","- C12 H10 Br F N2 S -","1","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0249","0.0228","","","0.0332","0.0334","","","","","","1.053","","","","has coordinates,has disorder","278967","2022-11-07","05:13:42",""
"1567764","4.5711","0.001","12.769","0.003","13.073","0.003","69.971","0.006","89.227","0.006","85.826","0.006","714.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 F N2 S -","- C12 H11 Br2 F N2 S -","- C24 H22 Br4 F2 N4 S2 -","2","1","","Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S.","Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation","Chemical Science","2022","13","41","12144","12148","10.1039/D2SC03994J","","","0.71073","MoKα","","0.0563","0.0309","","","0.0539","0.0581","","","","","","1.01","","","","has coordinates","278967","2022-11-07","05:13:42",""
"1567765","13.5215","0.0013","13.5537","0.0014","13.6079","0.0014","92.202","0.004","113.379","0.003","117.604","0.004","1951.3","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(C21H20N3)(C24H20B1)(C2H3N1)2","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium tetraphenylborate acetonitrile disolvate","","- C49 H46 B N5 -","- C49 H46 B N5 -","- C98 H92 B2 N10 -","2","1","HB4412","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium tetraphenylborate acetonitrile disolvate","IUCrData","2022","7","10","x220951","","10.1107/S2414314622009518","","","0.71069","MoKα","","0.0752","0.0596","","","0.1365","0.1486","","","","","","1.033","","","","has coordinates","278546","2022-10-12","02:21:49",""
"1567766","11.8289","0.0006","16.7287","0.0008","17.7234","0.0009","116.207","0.0014","91.0059","0.0015","100.454","0.0015","3075.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","","- C35 H57.5 N O3.25 -","- C35 H57.495 N O3.25 -","- C140 H229.98 N4 O13 -","4","4","BT4124","Campos Fernandez, Cristian; Procupez-Schtirbu, R.; Soto-Tellini, V. H.; Salazar, J. C.; Jancik, Vojtech","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","IUCrData","2022","7","10","x220947","","10.1107/S2414314622009476","","","0.71073","MoKα","","0.0917","0.062","","","0.1125","0.1214","","","","","","1.074","","","","has coordinates,has disorder","278547","2022-10-12","02:22:38",""
"1567767","13.701","0.0018","13.8715","0.0016","15.7041","0.0018","90","","105.336","0.006","90","","2878.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Cl2 Ga2 N4 P2 -","- C58 H82 Cl2 Ga2 N4 P2 -","- C116 H164 Cl4 Ga4 N8 P4 -","2","0.5","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","0.71073","MoKα","","0.0495","0.033","","","0.0822","0.091","","","","","","1.043","","","","has coordinates,has disorder","278552","2022-10-12","22:14:24",""
"1567768","12.6151","0.001","16.6393","0.0013","23.1348","0.0018","77.844","0.003","77.731","0.003","86.897","0.003","4638.6","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H102 B Cl2 F20 Ga2 N6 P2 -","- C96 H102 B Cl2 F20 Ga2 N6 P2 -","- C192 H204 B2 Cl4 F40 Ga4 N12 P4 -","2","1","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","1.54178","CuKα","","0.0407","0.0382","","","0.085","0.0862","","","","","","1.171","","","","has coordinates,has disorder","278552","2022-10-12","22:14:25",""
"1567769","12.5203","0.0003","16.6728","0.0005","23.1865","0.0007","78.0634","0.0015","77.1747","0.0012","87.3124","0.0014","4617.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H95 B Cl2 F20 Ga2 N6 P2 -","- C89 H95 B Cl2 F20 Ga2 N6 P2 -","- C178 H190 B2 Cl4 F40 Ga4 N12 P4 -","2","1","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","1.54178","CuKα","","0.061","0.0584","","","0.1201","0.1212","","","","","","1.23","","","","has coordinates,has disorder","278552","2022-10-12","22:14:25",""
"1567770","14.7131","0.001","25.5509","0.0018","18.5397","0.0013","90","","99.6843","0.0016","90","","6870.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H101 Br2 Ga2 N6 P2 -","- C68 H101 Br2 Ga2 N6 P2 -","- C272 H404 Br8 Ga8 N24 P8 -","4","1","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","0.71073","MoKα","","0.0501","0.0314","","","0.0641","0.0703","","","","","","1.043","","","","has coordinates,has disorder","278552","2022-10-12","22:14:25",""
"1567771","13.6417","0.0006","13.9614","0.0006","15.7579","0.0007","90","","105.102","0.0015","90","","2897.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 Br2 Ga2 N4 P2 -","- C58 H82 Br2 Ga2 N4 P2 -","- C116 H164 Br4 Ga4 N8 P4 -","2","0.5","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","1.54178","CuKα","","0.0243","0.0228","","","0.0585","0.0593","","","","","","1.032","","","","has coordinates","278552","2022-10-12","22:14:25",""
"1567772","14.863","0.002","20.33","0.005","25.712","0.006","83.603","0.004","75.258","0.006","72.565","0.004","7163","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H94 Cl2 Ga2 N6 P2 -","- C65 H94 Cl2 Ga2 N6 P2 -","- C260 H376 Cl8 Ga8 N24 P8 -","4","2","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","0.71073","MoKα","","0.0756","0.0436","","","0.1016","0.1119","","","","","","1.032","","","","has coordinates","278552","2022-10-12","22:14:25",""
"1567773","12.5498","0.0004","16.689","0.0007","23.2672","0.0009","77.921","0.002","77.403","0.002","87.595","0.002","4650.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H95 B Br2 F20 Ga2 N6 P2 -","- C89 H95 B Br2 F20 Ga2 N6 P2 -","- C178 H190 B2 Br4 F40 Ga4 N12 P4 -","2","1","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","1.54178","CuKα","","0.1015","0.0793","","","0.1684","0.1771","","","","","","1.192","","","","has coordinates,has disorder","278552","2022-10-12","22:14:25",""
"1567774","21.557","0.002","20.432","0.002","20.684","0.002","90","","99.72","0.005","90","","8979.5","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C89 H94 B Br2 F20 Ga2 N6 P2 -","- C89 H94 B Br2 F20 Ga2 N6 P2 -","- C356 H376 B4 Br8 F80 Ga8 N24 P8 -","4","1","","Sharma, Mahendra K.; Chabbra, Sonia; Wölper, Christoph; Weinert, Hanns Micha; Reijerse, Edward; Schnegg, Alexander; Schulz, Stephan","Modulating the Frontier Orbitals of L(X)Ga-Substituted Diphosphenes [L(X)GaP]2 (X = Cl, Br) and their Facile Oxidation to Radical Cations","Chemical Science","2022","","","","","10.1039/D2SC04207J","","","1.54178","CuKα","","0.0369","0.0281","","","0.0665","0.0706","","","","","","1.011","","","","has coordinates,has disorder","278552","2022-10-12","22:14:25",""
"1567775","7.7082","0.0003","12.0888","0.0005","12.3892","0.0005","90","","90","","90","","1154.46","0.08","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.078","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567776","7.0572","0.0006","10.6743","0.0007","15.6753","0.0012","90","","90","","90","","1180.83","0.16","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.031","0.0309","","","0.0781","0.0781","","","","","","1.089","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567777","9.6677","0.0004","11.6496","0.0003","12.2679","0.0005","109.146","0.003","112.87","0.004","91.797","0.003","1182.45","0.09","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl2 N2 P Zn -","- C24 H27 Cl2 N2 P Zn -","- C48 H54 Cl4 N4 P2 Zn2 -","2","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.036","0.0352","","","0.1013","0.102","","","","","","1.071","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567778","14.5983","0.0001","11.3593","0.0001","16.4355","0.0001","90","","101.497","0.001","90","","2670.76","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl2 N2 P Zn -","- C29 H29 Cl2 N2 P Zn -","- C116 H116 Cl8 N8 P4 Zn4 -","4","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.0342","0.0326","","","0.0893","0.0907","","","","","","1.031","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567779","12.2903","0.0003","13.3012","0.0003","15.6001","0.0003","90","","90","","90","","2550.24","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl Fe O2 P -","- C11 H14 Cl Fe O2 P -","- C88 H112 Cl8 Fe8 O16 P8 -","8","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0257","0.0205","","","0.0487","0.0513","","","","","","1.045","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567780","8.0716","0.0002","22.6406","0.0005","9.6109","0.0002","90","","107.934","0.001","90","","1671.01","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl Fe O4 P -","- C15 H20 Cl Fe O4 P -","- C60 H80 Cl4 Fe4 O16 P4 -","4","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0221","0.0207","","","0.0547","0.0554","","","","","","1.057","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567781","21.4541","0.0005","9.6814","0.0002","23.524","0.0005","90","","90","","90","","4886.07","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 F Fe O2 P -","- C11 H13.928 F Fe O2 P -","- C176 H222.848 F16 Fe16 O32 P16 -","16","2","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0428","0.0323","","","0.081","0.0877","","","","","","1.039","","","","has coordinates,has disorder","280170","2023-01-06","09:35:51",""
"1567782","17.416","0.0007","7.3263","0.0004","11.8242","0.0006","90","","93.273","0.002","90","","1506.25","0.13","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin","Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes","Chemical Science","2022","","","","","10.1039/D2SC04789F","","","0.71073","MoKα","","0.0629","0.0437","","","0.1043","0.1158","","","","","","1.02","","","","has coordinates","278594","2022-10-14","22:17:14",""
"1567783","9.6874","0.0007","14.9785","0.0012","11.1842","0.0009","90","","113.606","0.002","90","","1487.1","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin","Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes","Chemical Science","2022","","","","","10.1039/D2SC04789F","","","0.71073","MoKα","","0.0619","0.0502","","","0.1244","0.1322","","","","","","1.095","","","","has coordinates","278594","2022-10-14","22:17:14",""
"1567784","16.0511","0.0005","7.76","0.0003","17.0992","0.0006","90","","117.512","0.001","90","","1888.96","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H54 Cl2 N2 O3 -","- C42 H54 Cl2 N2 O3 -","- C84 H108 Cl4 N4 O6 -","2","1","","Wang, Wang; Cai, Yanyao; Guo, Renyu; Brown, M. Kevin","Synthesis of Complex Bicyclic Scaffolds by Intermolecular Photosensitized Dearomative Cycloadditions of Activated Alkenes and Naphthalenes","Chemical Science","2022","","","","","10.1039/D2SC04789F","","","0.71073","MoKα","","0.0497","0.0412","","","0.109","0.113","","","","","","1.029","","","","has coordinates","278594","2022-10-14","22:17:14",""
"1567785","7.5317","0.0019","14.206","0.003","14.536","0.003","107.443","0.006","92.616","0.007","94.61","0.008","1475","0.6","296.15","","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 Mn N8 O26 -","- C62 H62 Mn N8 O26 -","- C62 H62 Mn N8 O26 -","1","0.5","","Duan, Xinde; Xia, Minqi; Hu, Xixi; Yang, Lijun; Zheng, Hegen","Interfacing MnO and FeCo alloy inside N-doped carbon hierarchical porous nanospheres derived from metal-organic framework boosts high-performance oxygen reduction for Zn–air batteries","Nanoscale","2022","","","","","10.1039/D2NR05245H","","","0.71073","MoKα","","0.1479","0.0779","","","0.1575","0.1761","","","","","","1.045","","","","has coordinates","278598","2022-10-15","00:11:47",""
"1567786","5.60939","0.0001","10.26643","0.00019","22.2551","0.0004","90","","90","","90","","1281.64","0.04","99.97","0.1","99.97","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0351","0.0348","","","0.091","0.0912","","","","","","1.057","","","","has coordinates","280169","2023-01-06","09:35:42",""
"1567787","5.5419","0.0002","15.3789","0.0005","25.7913","0.0008","90","","90","","90","","2198.15","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0797","0.0709","","","0.1844","0.1917","","","","","","1.063","","","","has coordinates","280169","2023-01-06","09:35:43",""
"1567788","8.8255","0.001","11.6235","0.0014","12.598","0.0015","73.4523","0.0018","75.8056","0.0018","72.4567","0.0018","1163.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 Mn N4 O6 S2 -","- C16 H16 F6 Mn N4 O6 S2 -","- C32 H32 F12 Mn2 N8 O12 S4 -","2","1","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0576","0.0404","","","0.0966","0.1089","","","","","","1.03","","","","has coordinates,has disorder","280157","2023-01-06","09:26:30",""
"1567789","8.9946","0.0007","9.9209","0.0008","12.2244","0.0009","90","","105.646","0.003","90","","1050.42","0.14","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H15 F6 Mn N3 O7 S2 -","- C14 H15 F6 Mn N3 O7 S2 -","- C28 H30 F12 Mn2 N6 O14 S4 -","2","0.5","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0473","0.0466","","","0.1046","0.1049","","","","","","1.217","","","","has coordinates,has disorder","280157","2023-01-06","09:26:31",""
"1567790","8.4543","0.0009","8.9233","0.0015","9.8274","0.0014","111.704","0.014","98.837","0.011","101.362","0.011","654.12","0.19","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F7 N2 O3 -","- C10 H9 F7 N2 O3 -","- C20 H18 F14 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.1604","0.0649","","","0.1367","0.1834","","","","","","0.986","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567791","7.9519","0.0006","8.3267","0.0006","9.1611","0.0007","82.449","0.006","72.42","0.007","77.031","0.006","562.18","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 F5 N2 O3 -","- C9 H9 F5 N2 O3 -","- C18 H18 F10 N4 O6 -","2","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0492","0.0438","","","0.1281","0.1326","","","","","","1.097","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567792","7.832","0.0007","6.1313","0.0005","22.493","0.0017","90","","93.678","0.007","90","","1077.9","0.15","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F5 N -","- C11 H8 F5 N -","- C44 H32 F20 N4 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","0.71073","MoKα","","0.0867","0.0566","","","0.128","0.149","","","","","","1.04","","","","has coordinates","280161","2023-01-06","09:33:38",""
"1567793","20.3374","0.0007","7.1756","0.0003","14.0098","0.0007","90","","92.999","0.004","90","","2041.69","0.15","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F5 N O5 -","- C20 H18 F5 N O5 -","- C80 H72 F20 N4 O20 -","4","1","","Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene","Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes.","Chemical science","2022","13","44","12971","12979","10.1039/d2sc03879j","","x-ray","1.54184","CuKα","","0.0606","0.0567","","","0.1515","0.1549","","","","","","1.077","","","","has coordinates,has disorder","280161","2023-01-06","09:33:38",""
"1567794","14.2321","0.0001","13.2378","0.0001","14.6287","0.0002","90","","93.153","0.001","90","","2751.9","0.05","100.01","0.11","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H25 Cu N6.75 O7 -","- C21.5 H25 Cu N6.75 O7 -","- C86 H100 Cu4 N27 O28 -","4","1","","Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation.","Chemical science","2022","13","43","12876","12882","10.1039/d2sc04324f","","","1.54184","CuKα","","0.1217","0.1134","","","0.2897","0.296","","","","","","1.051","","","","has coordinates","280167","2023-01-06","09:35:23",""
"1567795","14.7885","0.0016","17.1958","0.0019","15.9928","0.0018","90","","96.222","0.002","90","","4043","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C128 H204 Cl8 F12 Ir8 N8 O20 P8 S4 -","4","1","","Do, Van K.; Alfonso Vargas, Nicolas; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J.","Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost","Catalysis Science & Technology","2022","12","23","7182","7189","10.1039/D2CY00676F","","","0.71073","MoKα","","0.0463","0.0284","","","0.0494","0.0538","","","","","","1.027","","","","has coordinates","280159","2023-01-06","09:26:50",""
"1567796","14.2283","0.0005","12.4939","0.0004","8.2937","0.0002","90","","98.4225","0.0012","90","","1458.44","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98 -","- C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795 -","- C59.836 H47.344 Cl0.082 N8 O23.918 Pt0.082 S3.918 -","4","1","","Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.","Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria","Catalysis Science & Technology","2022","12","24","7349","7360","10.1039/D2CY01017H","","","0.71073","MoKα","","0.048","0.0385","","","0.093","0.0986","","","","","","1.042","","","","has coordinates,has disorder","280155","2023-01-06","09:26:15",""
"1567797","18.1166","0.0005","19.1083","0.0009","19.7848","0.001","114.665","0.005","95.802","0.003","90.221","0.003","6184.2","0.5","100","0.1","100","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C150 H122 -","- C150 H122 -","- C300 H244 -","2","1","","Xu, Xiushang; Serra, Gianluca; Villa, Andrea; Muñoz-Mármol, Rafael; Vasylevskyi, Serhii; Gadea, Marcos; Lucotti, Andrea; Lin, Zesen; Boj, Pedro G.; Kabe, Ryota; Tommasini, Matteo; Diaz-Garcia, Maria Angeles; Scotognella, Francesco; Paternò, Giuseppe Maria; Narita, Akimitsu","Synthesis of Zigzag- and Fjord-Edged Nanographene with Dual Amplified Spontaneous Emission","Chemical Science","2022","","","","","10.1039/D2SC04208H","","x-ray","0.71073","MoKα","","0.1181","0.0771","","","0.1518","0.1729","","","","","","1.02","","","","has coordinates","278631","2022-10-18","22:16:26",""
"1567798","15.416","0.0009","15.9669","0.0011","19.0841","0.0012","111.495","0.005","112.712","0.005","93.327","0.005","3921.4","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H180 Au21 P4 S12 -","- C124 H180 Au21 P4 S12 -","- C124 H180 Au21 P4 S12 -","1","0.5","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.0767","0.0607","","","0.1467","0.1524","","","","","","0.93","","","","has coordinates","278634","2022-10-19","00:11:28",""
"1567799","49.7888","0.001","17.4433","0.0004","31.9121","0.0009","90","","129.254","0.002","90","","21461.1","1.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C172 H240 Au25 B P4 S16 -","- C172 H240 Au25 B P4 S16 -","- C688 H960 Au100 B4 P16 S64 -","4","0.5","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.0819","0.0447","","","0.0986","0.1152","","","","","","0.872","","","","has coordinates,has disorder","278634","2022-10-19","00:11:28",""
"1567800","15.8416","0.0005","17.5548","0.0005","29.6424","0.0008","80.682","0.002","82.909","0.002","63.942","0.002","7295","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H186 Au22 Cl4 Fe P2 S14 -","- C120 H186 Au22 Cl4 Fe P2 S14 -","- C240 H372 Au44 Cl8 Fe2 P4 S28 -","2","1","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.1018","0.0679","","","0.1725","0.1891","","","","","","0.95","","","","has coordinates,has disorder","278634","2022-10-19","00:11:28",""
"1567801","17.4996","0.0002","21.3266","0.0003","26.0965","0.0004","69.41","0.001","83.622","0.001","74.583","0.001","8787.5","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C148 H196 Au21 B P4 S12 -","- C148 H196 Au21 B P4 S12 -","- C296 H392 Au42 B2 P8 S24 -","2","1","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.0712","0.0637","","","0.1766","0.1865","","","","","","1.034","","","","has coordinates","278634","2022-10-19","00:11:28",""
"1567802","33.411","","16.475","","54.849","","90","","90","","90","","30191.4","","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C112 H182 Au22 Cl2 P2 S14 -","- C112 H182 Au22 Cl2 P2 S14 -","- C896 H1456 Au176 Cl16 P16 S112 -","8","2","","Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters","Nanoscale","2022","","","","","10.1039/D2NR05291A","","","1.54186","CuKα","","0.1443","0.1146","","","0.2797","0.3253","","","","","","1.047","","","","has coordinates","278634","2022-10-19","00:11:28",""
"1567803","9.4465","0.0005","20.428","0.0008","11.45","0.0007","90","","112.936","0.007","90","","2034.9","0.2","127","2","127.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 F6 N6 O6 S2 -","- C34 H58 F6 N6 O6 S2 -","- C68 H116 F12 N12 O12 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0487","0.041","","","0.1081","0.1127","","","","","","1.047","","","","has coordinates,has disorder","278973","2022-11-07","05:15:48",""
"1567804","8.4164","0.0004","9.9098","0.0003","10.3761","0.0004","101.12","0.003","111.201","0.004","93.802","0.003","782.89","0.06","120","2","120.15","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H54 N6 -","- C32 H54 N6 -","- C32 H54 N6 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0518","0.0441","","","0.1144","0.1189","","","","","","1.064","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567805","11.2729","0.0004","20.2466","0.0007","19.5699","0.0006","90","","92.742","0.003","90","","4461.5","0.3","100.15","","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H56 F9 N6 O9 S3 -","- C35 H56 F9 N6 O9 S3 -","- C140 H224 F36 N24 O36 S12 -","4","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0544","0.0479","","","0.1248","0.1283","","","","","","1.065","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567806","12.7027","0.0003","13.3266","0.0003","14.3241","0.0003","90","","93.044","0.002","90","","2421.42","0.09","101","2","101.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 F12 N6 O12 S4 -","- C36 H56 F12 N6 O12 S4 -","- C72 H112 F24 N12 O24 S8 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0338","0.0309","","","0.0763","0.0778","","","","","","1.03","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567807","7.9568","0.0004","18.1921","0.001","11.2323","0.0007","90","","107.697","0.006","90","","1548.94","0.16","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 -","- C32 H56 N6 -","- C64 H112 N12 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0611","0.0473","","","0.1096","0.1146","","","","","","1.051","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567808","10.2368","0.0004","11.7148","0.0005","20.4531","0.0008","90","","92.856","0.003","90","","2449.73","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 F6 N6 O8 S2 -","- C42 H72 F6 N6 O8 S2 -","- C84 H144 F12 N12 O16 S4 -","2","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0733","0.0607","","","0.1634","0.1746","","","","","","1.028","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1567809","8.4","0.0005","10.3658","0.0007","20.0368","0.0013","78.183","0.005","79.823","0.005","82.783","0.005","1673.56","0.19","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H56 N6 -","- C33 H56 N6 -","- C66 H112 N12 -","2","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0873","0.0602","","","0.1675","0.1818","","","","","","1.082","","","","has coordinates","278973","2022-11-07","05:15:50",""
"1567810","11.5251","0.001","28.9745","0.0015","11.6064","0.0009","90","","119.306","0.011","90","","3379.7","0.6","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 N6 -","- C33 H58 N6 -","- C132 H232 N24 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0805","0.0529","","","0.1333","0.1449","","","","","","1.046","","","","has coordinates","278973","2022-11-07","05:15:51",""
"1567811","9.1161","0.0004","46.1464","0.0016","11.2799","0.0006","90","","105.642","0.005","90","","4569.4","0.4","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64 F6 N6 O6 S2 -","- C38 H64 F6 N6 O6 S2 -","- C152 H256 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1226","0.0756","","","0.2015","0.2238","","","","","","1.054","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567812","16.4086","0.0004","22.9375","0.0007","11.3222","0.0003","90","","97.679","0.002","90","","4223.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H60 F6 N6 O6 S2 -","- C35 H60 F6 N6 O6 S2 -","- C140 H240 F24 N24 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0775","0.0577","","","0.1588","0.1709","","","","","","1.035","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567813","11.1305","0.0003","11.429","0.0003","13.722","0.0004","92.322","0.002","99.653","0.002","113.256","0.002","1570.03","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H82 F12 N6 O22 S4 -","- C40 H62 F12 N6 O12 S4 -","- C40 H62 F12 N6 O12 S4 -","1","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0937","0.0636","","","0.1887","0.2043","","","","","","1.043","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567814","13.7065","0.0005","11.8374","0.0005","32.3229","0.0016","90","","91.669","0.004","90","","5242.1","0.4","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H65 F9 N7 O9 S3 -","- C41 H65 F9 N7 O9 S3 -","- C164 H260 F36 N28 O36 S12 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1031","0.0641","","","0.1779","0.1938","","","","","","1.068","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567815","27.5528","0.0014","8.4292","0.0005","22.0477","0.0012","90","","90","","90","","5120.5","0.5","297","2","297","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H68 F6 N8 O6 S2 -","- C42 H68 F6 N8 O6 S2 -","- C168 H272 F24 N32 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1046","0.0741","","","0.2041","0.2258","","","","","","1.026","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567816","14.521","0.003","11.291","0.002","30.821","0.006","90","","93.8","0.03","90","","5042.2","1.7","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 F12 N6 O12.5 S4 -","- C37 H59 F12 N6 O12.5 S4 -","- C148 H236 F48 N24 O50 S16 -","4","1","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.1276","0.0548","","","0.1153","0.1442","","","","","","1.04","","","","has coordinates,has disorder","278973","2022-11-07","05:15:51",""
"1567817","8.5649","0.0003","10.4376","0.0003","9.9968","0.0003","90","","98.418","0.001","90","","884.06","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H19 N O -","- C25 H19 N O -","- C50 H38 N2 O2 -","2","1","","Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle)","Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters","Chemical Science","2022","13","42","12498","12502","10.1039/D2SC03409C","","x-ray","1.54178","CuKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.071","","","","has coordinates","278970","2022-11-07","05:14:46",""
"1567818","11.3144","0.0019","11.4859","0.0018","12.22","0.002","88.259","0.005","81.481","0.005","65.401","0.004","1427.1","0.4","203.65","","203.65","","","","","","","","","5","P -1","-P 1","2","","MnC30N2S4H32","","- C30 H32 Mn N2 S4 -","- C30 H32 Mn N2 S4 -","- C60 H64 Mn2 N4 S8 -","2","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0878","0.0464","","","0.096","0.1103","","","","","","0.975","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567819","13.8594","0.001","19.0914","0.0013","16.2268","0.0011","90","","103","0.002","90","","4183.5","0.5","200","2","200.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mn N4 O S4 -","- C44 H47 Mn N4 O S4 -","- C176 H188 Mn4 N16 O4 S16 -","4","1","","Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom","Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation","Chemical Science","2022","13","42","12550","12559","10.1039/D2SC04339D","","","0.71073","MoKα","","0.0623","0.0468","","","0.1225","0.1375","","","","","","1.048","","","","has coordinates","278971","2022-11-07","05:14:54",""
"1567820","6.0635","0.0002","9.6309","0.0004","11.032","0.0005","101.765","0.002","104.967","0.002","97.601","0.002","597.54","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Au Br N3 -","- C10 H11 Au Br N3 -","- C20 H22 Au2 Br2 N6 -","2","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0373","0.034","","","0.0922","0.0947","","","","","","1.079","","","","has coordinates","278715","2022-10-21","21:44:18",""
"1567821","9.6523","0.0009","25.471","0.003","11.1422","0.0012","90","","104.835","0.005","90","","2648","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Au Br Cl Ir N5 -","- C25 H31 Au Br Cl Ir N5 -","- C100 H124 Au4 Br4 Cl4 Ir4 N20 -","4","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0743","0.0492","","","0.1179","0.1317","","","","","","1.03","","","","has coordinates","278715","2022-10-21","21:44:19",""
"1567822","19.5","0.0009","11.2281","0.0005","23.8483","0.001","90","","96.656","0.002","90","","5186.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Br3 N6 Pd -","- C20 H23 Br3 N6 Pd -","- C160 H184 Br24 N48 Pd8 -","8","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0696","0.0399","","","0.083","0.0923","","","","","","1.01","","","","has coordinates,has disorder","278715","2022-10-21","21:44:19",""
"1567823","13.8366","0.0003","12.6469","0.0003","17.6415","0.0004","90","","103.832","0.0009","90","","2997.56","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Br4 N7 Pd2 -","- C25 H27 Br4 N7 Pd2 -","- C100 H108 Br16 N28 Pd8 -","4","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0457","0.0332","","","0.0782","0.0831","","","","","","1.055","","","","has coordinates","278715","2022-10-21","21:44:19",""
"1567824","17.706","0.0018","6.2505","0.0007","15.812","0.0014","90","","98.771","0.003","90","","1729.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br2 N4 Pd -","- C15 H16 Br2 N4 Pd -","- C60 H64 Br8 N16 Pd4 -","4","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0478","0.0311","","","0.067","0.0757","","","","","","1.033","","","","has coordinates","278715","2022-10-21","21:44:19",""
"1567825","7.7483","0.0003","23.2239","0.0011","10.301","0.0005","90","","102.974","0.0017","90","","1806.3","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Br2 N5 O -","- C15 H21 Br2 N5 O -","- C60 H84 Br8 N20 O4 -","4","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0528","0.039","","","0.0714","0.0752","","","","","","1.112","","","","has coordinates","278715","2022-10-21","21:44:19",""
"1567826","8.2856","0.0004","12.0023","0.0006","12.6741","0.0006","83.517","0.002","83.226","0.002","88.824","0.002","1243.56","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 Au Br2.59 Cl0.41 N6 Pd -","- C20 H22 Au Br2.592 Cl0.408 N6 Pd -","- C40 H44 Au2 Br5.184 Cl0.816 N12 Pd2 -","2","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0344","0.031","","","0.0881","0.092","","","","","","1.057","","","","has coordinates,has disorder","278715","2022-10-21","21:44:19",""
"1567827","25.915","0.002","20.09","0.002","15.4825","0.0016","90","","115.662","0.005","90","","7265.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Br3 Ir N6 Pd -","- C30 H36 Br3 Ir N6 Pd -","- C240 H288 Br24 Ir8 N48 Pd8 -","8","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","0.71073","MoKα","","0.0974","0.0571","","","0.1172","0.1504","","","","","","1.211","","","","has coordinates,has disorder","278715","2022-10-21","21:44:20",""
"1567828","10.1579","0.0003","12.7784","0.0003","22.2614","0.0005","95.693","0.002","98.958","0.001","94.414","0.002","2827.66","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 I4 Ir2 N10 O -","- C50 H66 I4 Ir2 N10 O -","- C100 H132 I8 Ir4 N20 O2 -","2","1","","Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar","Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand","Chemical Science","2022","","","","","10.1039/D2SC05024B","","","1.54178","CuKα","","0.0888","0.0581","","","0.131","0.1456","","","","","","1.032","","","","has coordinates,has disorder","278715","2022-10-21","21:44:20",""
"1567829","18.235","0.003","18.235","0.003","7.1321","0.0009","90","","90","","120","","2053.8","0.5","298","2","298","","","","","","","","","6","P 31","P 31","144","","","","- C26 H35 N O3 S2 Si -","- C26 H35 N O3 S2 Si -","- C78 H105 N3 O9 S6 Si3 -","3","1","","Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar","Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone","Chemical Science","2022","","","","","10.1039/D2SC04727F","","","0.71073","MoKα","","0.0624","0.0439","","","0.0923","0.1057","","","","","","1.071","","","","has coordinates,has disorder","278716","2022-10-21","21:46:07",""
"1567830","9.6794","0.0011","9.6794","0.0011","49.548","0.008","90","","90","","90","","4642.2","1.1","105.33","","105.33","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C28 H30 O4 -","- C28 H29 O4 -","- C224 H232 O32 -","8","1","","Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar","Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone","Chemical Science","2022","","","","","10.1039/D2SC04727F","","","0.71073","MoKα","","0.0731","0.0512","","","0.1149","0.128","","","","","","1.155","","","","has coordinates","278716","2022-10-21","21:46:07",""
"1567832","6.2055","0.0017","11.319","0.003","32.886","0.009","89.884","0.003","85.258","0.004","89.848","0.004","2302","1.1","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","HX-5181","","- C112 H132 N8 O4 -","- C112 H128 N8 O4 -","- C112 H128 N8 O4 -","1","0.5","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0995","0.0728","","","0.1952","0.2062","","","","","","1.066","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567833","32.848","0.015","32.848","0.015","10.842","0.009","90","","90","","120","","10131","11","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","HX-91","","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","- C450 H342 N18 O36 -","1","0.0555556","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0767","0.0504","","","0.1233","0.145","","","","","","1.014","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567834","9.4143","0.0014","14.69","0.002","13.927","0.002","90","","106.73","0.002","90","","1844.5","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","hx-523","","- C96 H76 N4 O8 -","- C96 H76 N4 O8 -","- C96 H76 N4 O8 -","1","0.25","","He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong","Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles.","Chemical science","2022","13","43","12769","12775","10.1039/d2sc04092a","","","0.71073","MoKα","","0.0568","0.0385","","","0.0906","0.1002","","","","","","1.021","","","","has coordinates","280172","2023-01-06","09:36:09",""
"1567835","9.497","0.0007","14.1349","0.001","16.2663","0.0011","77.872","0.006","89.269","0.006","87.51","0.006","2132.8","0.3","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O6 -","- C21 H27 N3 O6 -","- C84 H108 N12 O24 -","4","2","","Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun","Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates.","Chemical science","2022","13","44","13141","13146","10.1039/d2sc04720a","","x-ray","0.71073","MoKα","","0.0967","0.0709","","","0.1756","0.1955","","","","","","1.03","","","","has coordinates,has disorder","280162","2023-01-06","09:33:47",""
"1567836","25.1131","0.0005","15.0135","0.0003","19.6714","0.0005","90","","93.887","0.001","90","","7399.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124 H56 Lu3 N5 Ni -","- C124 H56 Lu3 N5 Ni -","- C496 H224 Lu12 N20 Ni4 -","4","0.5","","Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing","Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation","Nanoscale","2022","","","","","10.1039/D2NR05049H","","","0.7336","synchrotron","","0.1303","0.1197","","","0.3195","0.326","","","","","","1.021","","","","has coordinates,has disorder","278760","2022-10-25","00:32:38",""
"1567837","26.44","0.005","16.808","0.003","17.861","0.004","90","","107.97","0.03","90","","7550","3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C124 H53 Lu3 N5 Ni S2 -","- C124 H53 Lu3 N5 Ni S2 -","- C496 H212 Lu12 N20 Ni4 S8 -","4","0.5","","Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing","Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation","Nanoscale","2022","","","","","10.1039/D2NR05049H","","","0.7336","synchrotron","","0.0847","0.0812","","","0.2133","0.2168","","","","","","1.03","","","","has coordinates,has disorder","278760","2022-10-25","00:32:38",""
"1567838","25.313","0.003","15.0309","0.0018","19.673","0.002","90","","95.136","0.004","90","","7455.1","1.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C123 H53 Lu3 N5 Ni -","- C123 H53 Lu3.0001 N5 Ni -","- C492 H212 Lu12.0004 N20 Ni4 -","4","1","","Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing","Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation","Nanoscale","2022","","","","","10.1039/D2NR05049H","","","0.7336","synchrotron","","0.1338","0.1229","","","0.2943","0.304","","","","","","1.039","","","","has coordinates,has disorder","278760","2022-10-25","00:32:38",""
"1567839","6.8699","0.0003","19.185","0.0009","8.392","0.0004","90","","105.318","0.002","90","","1066.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Co2 O20 P4 -","- C8 H16 Co2 O20 P4 -","- C16 H32 Co4 O40 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0545","0.0376","","","0.0859","0.0927","","","","","","1.043","","","","has coordinates","280154","2023-01-06","09:26:06",""
"1567840","10.6044","0.0004","10.3561","0.0004","13.9206","0.0006","90","","97.323","0.001","90","","1516.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H40 Ni3 O30 P4 -","- C8 H40 Ni3 O30 P4 -","- C16 H80 Ni6 O60 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0528","0.0399","","","0.0946","0.1015","","","","","","1.069","","","","has coordinates","280154","2023-01-06","09:26:07",""
"1567841","13.5304","0.0003","14.4783","0.0004","19.2467","0.0005","86.952","0.001","73.821","0.001","84.391","0.001","3602.39","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 F6 N6 O3 -","- C34 H48 F6 N6 O3 -","- C136 H192 F24 N24 O12 -","4","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","1.54178","CuKα","","0.0371","0.034","","","0.0863","0.0887","","","","","","1.022","","","","has coordinates,has disorder","278782","2022-10-25","22:18:30",""
"1567842","14.5044","0.0005","14.9547","0.0005","17.2099","0.0006","101.789","0.002","111.249","0.002","97.465","0.002","3319.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H42 F6 N6 O3 -","- C31 H42 F6 N6 O3 -","- C124 H168 F24 N24 O12 -","4","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.1011","0.0528","","","0.1276","0.1565","","","","","","1.01","","","","has coordinates,has disorder","278782","2022-10-25","22:18:30",""
"1567843","31.7595","0.0006","31.7595","0.0006","24.6991","0.0006","90","","90","","120","","21575.4","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 F6 N4 O2 -","- C22 H24 F6 N4 O2 -","- C792 H864 F216 N144 O72 -","36","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0682","0.0507","","","0.1223","0.1346","","","","","","1.041","","","","has coordinates,has disorder","288645","2024-01-03","15:04:00",""
"1567844","14.5061","0.0003","15.7206","0.0004","17.2781","0.0004","92.442","0.001","113.7","0.001","112.853","0.001","3231.16","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 F6 N6 O3 -","- C31.9997 H35.9994 F6 N5.99985 O2.99995 -","- C127.999 H143.998 F24 N23.9994 O11.9998 -","4","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","1.54178","CuKα","","0.0404","0.0375","","","0.0968","0.0991","","","","","","1.02","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567845","11.948","0.0004","12.5972","0.0005","12.9273","0.0004","80.719","0.002","76.811","0.002","73.555","0.002","1807.12","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cl3 F12 N6 O4 -","- C31 H27 Cl3 F12 N6 O4 -","- C62 H54 Cl6 F24 N12 O8 -","2","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0861","0.0565","","","0.1129","0.1262","","","","","","1.02","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567846","18.98","0.0006","20.3627","0.0006","16.4981","0.0005","90","","92.891","0.003","90","","6368.1","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F6 N6 O3 -","- C34 H32 F6 N6 O3 -","- C272 H256 F48 N48 O24 -","8","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.0762","0.052","","","0.1086","0.1217","","","","","","1.045","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567847","10.953","0.0003","12.2425","0.0003","12.9211","0.0003","69.381","0.001","84.162","0.002","85.716","0.002","1611.81","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-bis(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-3-hexylurea","","- C29 H32 F12 N6 O3 -","- C29 H32 F12 N6 O3 -","- C58 H64 F24 N12 O6 -","2","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0624","0.0392","","","0.0822","0.0911","","","","","","1.014","","","","has coordinates","278782","2022-10-25","22:18:31",""
"1567848","11.9677","0.0005","20.0581","0.0008","14.2211","0.0005","90","","111.923","0.002","90","","3166.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl3 F3 N6 O3 -","- C29 H32 Cl3 F3 N6 O3 -","- C116 H128 Cl12 F12 N24 O12 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0875","0.0531","","","0.1228","0.1392","","","","","","1.048","","","","has coordinates","278782","2022-10-25","22:18:31",""
"1567849","18.0463","0.0004","21.9267","0.0006","18.6546","0.0005","90","","105.361","0.001","90","","7117.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 F6 N4 O2 -","- C23 H26 F6 N4 O2 -","- C276 H312 F72 N48 O24 -","12","3","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.1034","0.0533","","","0.1138","0.1395","","","","","","1.018","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567850","12.8818","0.0002","7.7413","0.0001","40.5948","0.0006","90","","98.052","0.002","90","","4008.28","0.1","174.9","0.3","174.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenyl-1,1-bis(2-(3-phenyl-1-(2-(3-phenylureido)ethyl)ureido)ethyl)urea","","- C43 H48 N10 O5 -","- C43 H48 N10 O5 -","- C172 H192 N40 O20 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","1.54184","CuKα","","0.0637","0.059","","","0.1543","0.1581","","","","","","1.042","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567851","11.6563","0.0007","15.0421","0.0008","17.5808","0.0009","71.522","0.005","75.149","0.005","81.278","0.005","2817.6","0.3","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-1-(2-(1-(2-(1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-3-(4-methoxyphenyl)ureido)ethyl)-3-(4-methoxyphenyl)ureido)ethyl)-3-(4-methoxyphenyl)urea","","- C54 H56 F12 N12 O8 -","- C54 H56 F12 N12 O8 -","- C108 H112 F24 N24 O16 -","2","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.1154","0.0676","","","0.1059","0.1267","","","","","","1.052","","","","has coordinates,has disorder","278782","2022-10-25","22:18:31",""
"1567852","10.273","0.0003","19.1589","0.0004","15.2648","0.0004","90","","101.038","0.0013","90","","2948.83","0.13","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 F6 N6 O3 -","- C29 H30 F6 N6 O3 -","- C116 H120 F24 N24 O12 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.0645","0.0438","","","0.101","0.1132","","","","","","1.012","","","","has coordinates,has disorder","278782","2022-10-25","22:18:32",""
"1567853","10.2341","0.0013","13.105","0.0013","24.026","0.003","104.669","0.009","93.989","0.01","99.942","0.01","3048.7","0.6","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-3-hexyl-1-(2-(3-hexylureido)ethyl)urea","","- C27 H42 F6 N6 O3 -","- C27 H42 F6 N6 O3 -","- C108 H168 F24 N24 O12 -","4","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.153","0.0659","","","0.1254","0.1413","","","","","","0.814","","","","has coordinates,has disorder","278782","2022-10-25","22:18:32",""
"1567854","16.746","0.0008","15.9603","0.0008","22.0769","0.001","90","","95.262","0.003","90","","5875.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-(ethane-1,2-diyl)bis(1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-3-butylurea)","","- C34 H42 F12 N8 O4 -","- C34 H42 F12 N8 O4 -","- C204 H252 F72 N48 O24 -","6","1.5","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.084","0.0492","","","0.1081","0.1258","","","","","","1.019","","","","has coordinates,has disorder","278782","2022-10-25","22:18:32",""
"1567855","5.9061","0.0001","28.6533","0.0004","15.5357","0.0002","90","","92.006","0.001","90","","2627.48","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N6 O3 -","- C28 H34 N6 O3 -","- C112 H136 N24 O12 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","1.54184","CuKα","","0.0429","0.0368","","","0.0921","0.0955","","","","","","1.052","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1567856","13.8062","0.0004","16.5341","0.0005","18.0269","0.0006","90","","90","","90","","4115.1","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,1'-((ethane-1,2-diylbis(((4-methoxyphenyl)carbamoyl)azanediyl))bis(ethane-2,1-diyl))bis(3-(3,5-bis(trifluoromethyl)phenyl)urea)","","- C40 H38 F12 N8 O6 -","- C40 H38 F12 N8 O6 -","- C160 H152 F48 N32 O24 -","4","0.5","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","0.71073","MoKα","","0.1106","0.0518","","","0.1127","0.1396","","","","","","1.013","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1567857","11.6426","0.0004","11.0107","0.0004","16.803","0.0005","90","","108.437","0.003","90","","2043.47","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F6 N4 O2 -","- C17 H22 F6 N4 O2 -","- C68 H88 F24 N16 O8 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","","1.54184","CuKα","","0.0606","0.0509","","","0.13","0.1367","","","","","","1.048","","","","has coordinates,has disorder","278782","2022-10-25","22:18:32",""
"1567858","13.7401","0.0012","14.0361","0.0011","11.5499","0.001","90","","113.558","0.003","90","","2041.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F6 N4 O2 -","- C20 H20 F6 N4 O2 -","- C80 H80 F24 N16 O8 -","4","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.0727","0.0423","","","0.0909","0.1042","","","","","","1.037","","","","has coordinates,has disorder","278782","2022-10-25","22:18:32",""
"1567859","31.6255","0.0007","31.6255","0.0007","12.2942","0.0004","90","","90","","120","","10648.9","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.22 H23 F6 N4.11 O2 -","- C25.2222 H22 F6 N4.1111 O2 -","- C454 H396 F108 N73.9998 O36 -","18","1","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.71073","MoKα","","0.0516","0.0373","","","0.0809","0.0881","","","","","","1.034","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1567860","9.9573","0.0005","19.5693","0.0011","20.9138","0.0011","84.902","0.004","89.962","0.004","87.554","0.004","4055.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47.5 F6 N6 O5 -","- C42 H47.5 F6 N6 O5 -","- C168 H190 F24 N24 O20 -","4","2","","Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan","Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery","Chemical Science","2022","","","","","10.1039/D2SC04716K","","x-ray","0.6889","Synchrotron","","0.1602","0.1231","","","0.3821","0.4043","","","","","","1.508","","","","has coordinates","278782","2022-10-25","22:18:32",""
"1567861","9.2497","0.0006","9.6644","0.0002","32.938","0.0007","90.062","0.002","92.44","0.003","104.738","0.004","2844.7","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H37 N3 O6 -","- C31 H37 N3 O6 -","- C124 H148 N12 O24 -","4","4","","Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi","An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide","Polymer Chemistry","2022","13","44","6223","6228","10.1039/D2PY01072K","","","1.54184","CuKα","","0.1422","0.1174","","","0.3321","0.3486","","","","","","1.406","","","","has coordinates","280222","2023-01-06","10:06:10",""
"1567862","11.0149","0.0012","14.0459","0.0012","13.3983","0.0013","90","","109.205","0.012","90","","1957.5","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diferrocenyl-1,2-dithiole-3-thione","","- C23 H18 Fe2 S3 -","- C23 H18 Fe2 S3 -","- C92 H72 Fe8 S12 -","4","1","IM4016","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiole-3-thione","IUCrData","2022","7","10","x221011","","10.1107/S2414314622010112","","","0.71073","MoKα","","0.0636","0.0389","","","0.0674","0.0787","","","","","","1.038","","","","has coordinates","279117","2022-11-08","19:41:43",""
"1567863","10.7859","0.0013","14.5638","0.0016","14.9956","0.0014","90","","97.144","0.003","90","","2337.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C28 H22 F N3 O S -","- C28 H22 F N3 O S -","- C112 H88 F4 N12 O4 S4 -","4","1","BT4127","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","10","x221003","","10.1107/S2414314622010033","","","0.71073","MoKα","","0.0623","0.0427","","","0.1089","0.1237","","","","","","1.045","","","","has coordinates","278797","2022-10-26","02:27:38",""
"1567864","9.7228","0.0006","12.0523","0.0006","16.1605","0.001","74.238","0.002","88.581","0.002","86.213","0.002","1818.49","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","Rho-NDI","","- C45 H41 N5 O6 -","- C45 H41 N5 O6 -","- C90 H82 N10 O12 -","2","1","","Xiao, Xiao; Kurganskii, Ivan; Maity, Partha; Zhao, Jianzhang; Jiang, Xiao; Mohammed, Omar F.; Fedin, Matvey V.","Long-lived Charge-Separated State of Spiro Compact Electron Donor-Acceptor Dyads Based on Rhodamine and Naphthalenediimide Chromophores","Chemical Science","2022","","","","","10.1039/D2SC04258D","","","0.71073","MoKα","","0.0599","0.0426","","","0.1015","0.1134","","","","","","1.0636","","","","has coordinates","278820","2022-10-26","22:32:15",""
"1567873","6.0121","0.0001","24.3678","0.0001","11.421","0.0001","90","","94.695","0.001","90","","1667.58","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl N2 O -","- C18 H25 Cl N2 O -","- C72 H100 Cl4 N8 O4 -","4","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.081","0.0817","","","","","","1.074","","","","has coordinates","278865","2022-10-29","08:24:08",""
"1567874","5.36257","0.00003","8.48172","0.00005","27.61854","0.00018","90","","90","","90","","1256.2","0.013","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.0694","0.0696","","","","","","1.069","","","","has coordinates","278865","2022-10-29","08:24:09",""
"1567875","9.125","0.0001","10.278","0.0002","13.8974","0.0003","77.831","0.002","85.183","0.001","67.565","0.002","1177.66","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cl F6 N2 O5 -","- C22 H27 Cl F6 N2 O5 -","- C44 H54 Cl2 F12 N4 O10 -","2","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.034","0.0316","","","0.0828","0.0842","","","","","","1.073","","","","has coordinates","278865","2022-10-29","08:24:09",""
"1567876","10.5188","0.0001","8.8474","0.0001","11.0858","0.0002","90","","95.456","0.001","90","","1027.02","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H26 Cl F3 N2 O3 -","- C20 H26 Cl F3 N2 O3 -","- C40 H52 Cl2 F6 N4 O6 -","2","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.0299","0.0286","","","0.0755","0.0764","","","","","","1.072","","","","has coordinates,has disorder","278865","2022-10-29","08:24:09",""
"1567877","10.507","0.005","13.045","0.006","16.585","0.008","81.696","0.006","80.885","0.006","84.254","0.006","2214","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 Ni P4 -","- C52 H52 Ni P4 -","- C104 H104 Ni2 P8 -","2","1","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.1285","0.1119","","","0.3004","0.3129","","","","","","0.953","","","","has coordinates","280171","2023-01-06","09:35:58",""
"1567878","9.345","0.008","15.097","0.013","9.749","0.008","90","","113.171","0.01","90","","1264.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Ni P2 -","- C26 H26 Cl2 Ni P2 -","- C52 H52 Cl4 Ni2 P4 -","2","0.5","","Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.","Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.","Chemical science","2022","13","43","12906","12912","10.1039/d2sc03877c","","","0.71073","MoKα","","0.0364","0.0299","","","0.065","0.0673","","","","","","1.049","","","","has coordinates","280171","2023-01-06","09:35:59",""
"1567879","8.3299","0.0004","37.549","0.003","8.4639","0.0005","90","","90","","90","","2647.3","0.3","200","2","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua","Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields","Chemical Science","2022","","","","","10.1039/D2SC05285G","","x-ray","0.71073","MoKα","","0.0774","0.0554","","","0.1474","0.1605","","","","","","1.083","","","","has coordinates","278867","2022-10-29","08:25:38",""
"1567880","5.9841","0.0002","5.9841","0.0002","38.4072","0.0017","90","","90","","90","","1375.34","0.09","310","2","309.99","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N3 Pb2 -","- C18 H58 Br14 N6 Pb4 -","2","0.0625","","Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua","Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields","Chemical Science","2022","","","","","10.1039/D2SC05285G","","","0.71073","MoKα","","0.0466","0.0386","","","0.1033","0.1119","","","","","","1.082","","","","has coordinates,has disorder","278867","2022-10-29","08:25:39",""
"1567881","7.161","0.0016","26.271","0.006","7.7474","0.0017","90","","95.495","0.003","90","","1450.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-4-methylpyridinium chloride","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C48 H64 Cl8 N8 O8 -","8","2","HB4415","Saini, Aarti; Dhanwant, Kisturi; Thirumoorthi, Ramalingam","1-Hydroxy-4-methylpyridinium chloride","IUCrData","2022","7","10","x221023","","10.1107/S2414314622010239","","","0.71073","MoKα","","0.0543","0.0423","","","0.1207","0.1293","","","","","","1.061","","","","has coordinates","278877","2022-10-29","12:27:42",""
"1567882","20.902","0.0001","20.902","0.0001","20.902","0.0001","90","","90","","90","","9131.95","0.08","273.15","","273.15","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","NU-1306","","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","- C87 H48 O32 U4 -","1","0.0416667","","Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K.","Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis.","Chemical science","2022","13","44","13032","13039","10.1039/d2sc04783g","","","1.54178","CuKα","","0.0695","0.0668","","","0.1786","0.1825","","","","","","1.114","","","","has coordinates","280164","2023-01-06","09:34:24",""
"1567883","12.7371","0.0003","14.2679","0.0004","22.1844","0.0006","101.261","0.002","93.525","0.002","116.025","0.002","3503.18","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H76 B2 Cl2 Dy N7 O -","- C81 H76 B2 Cl2 Dy N7 O -","- C162 H152 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0913","0.0573","","","0.1483","0.1688","","","","","","0.897","","","","has coordinates","280160","2023-01-06","09:33:27",""
"1567884","14.0388","0.0002","14.481","0.0002","21.4518","0.0003","91.27","0.001","97.279","0.001","111.868","0.001","4003.23","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 B2 Cl2 Dy N7 O -","- C86 H78 B2 Cl2 Dy N7 O -","- C172 H156 B4 Cl4 Dy2 N14 O2 -","2","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.0707","0.047","","","0.1071","0.1173","","","","","","1.075","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567885","23.6641","0.0007","14.1103","0.0004","21.3612","0.0006","90","","96.266","0.002","90","","7090.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H71 B2 Cl Dy N7 -","- C79 H71 B2 Cl Dy N7 -","- C316 H284 B8 Cl4 Dy4 N28 -","4","1","","Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang","Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets.","Chemical science","2022","13","44","13231","13240","10.1039/d2sc03182e","","","0.71073","MoKα","","0.1654","0.0598","","","0.0697","0.0842","","","","","","0.986","","","","has coordinates","280160","2023-01-06","09:33:28",""
"1567886","10.4177","0.0004","11.7104","0.0003","21.5388","0.0007","90","","99.964","0.003","90","","2588","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","","- C26 H30 N6 O4 S -","- C26 H30 N6 O4 S -","- C104 H120 N24 O16 S4 -","4","1","HB4417","Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A.","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","IUCrData","2022","7","11","x221033","","10.1107/S2414314622010331","","","0.71073","MoKα","","0.0666","0.0473","","","0.117","0.1299","","","","","","1.066","","","","has coordinates","278899","2022-11-01","12:35:35",""
"1567887","5.6781","0.0003","9.773","0.0006","15.2351","0.0009","90","","92.831","0.003","90","","844.4","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","1","","Guo, Jia; Ma, Hao-Ran; Xiong, Wen-Bin; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Iridium-Catalyzed Enantioselective Alkynylation and Kinetic Resolution of Alkyl Allylic Alcohols","Chemical Science","2022","","","","","10.1039/D2SC04892B","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0745","0.0747","","","","","","1.079","","","","has coordinates","278904","2022-11-01","23:11:17",""
"1567894","26.1224","0.0008","8.3077","0.0003","18.9832","0.0006","90","","106.476","0.002","90","","3950.5","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CzDBA","9,10-bis(4-(9H-carbazol-9-yl)-2,6-dimethylphenyl)-9,10-diboraanthracene","","- C52 H40 B2 N2 -","- C52 H40 B2 N2 -","- C208 H160 B8 N8 -","4","0.5","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.0782","0.0558","","","0.1639","0.1786","","","","","","1.018","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567895","27.7304","0.0012","9.0103","0.0004","18.61","0.0008","90","","98.171","0.002","90","","4602.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iCzDBA","5,10-bis(4-(9H-carbazol-9-yl)-2,6-diisopropylphenyl)-5,10-diboranthrene","","- C60 H56 B2 N2 -","- C60 H56 B2 N2 -","- C240 H224 B8 N8 -","4","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","1.54178","CuKα","","0.0404","0.0381","","","0.0961","0.0981","","","","","","1.026","","","","has coordinates","280166","2023-01-06","09:34:53",""
"1567896","9.5981","0.0005","11.916","0.0005","25.0597","0.0011","85.521","0.002","89.469","0.002","89.876","0.002","2857.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tBuCzDBA","5,10-bis(4-(3,6-di-tert-butyl-9H-carbazol-9-yl)-2,6-dimethylphenyl)-5,10-diboranthrene","","- C68 H72 B2 N2 -","- C68 H72 B2 N2 -","- C136 H144 B4 N4 -","2","1","","Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong","Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer.","Chemical science","2022","13","44","12996","13005","10.1039/d2sc04725j","","","0.71073","MoKα","","0.1122","0.0679","","","0.1756","0.2002","","","","","","1.044","","","","has coordinates,has disorder","280166","2023-01-06","09:34:53",""
"1567897","13.4932","0.0016","9.8466","0.0012","17.378","0.002","90","","102.184","0.004","90","","2256.9","0.5","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee","An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes","Chemical Science","2022","","","","","10.1039/D2SC04431E","","","0.71073","MoKα","","0.1615","0.0688","","","0.168","0.2281","","","","","","1.017","","","","has coordinates,has disorder","278932","2022-11-03","23:14:45",""
"1567898","9.5747","0.0019","9.6132","0.0018","12.847","0.003","101.581","0.006","95.065","0.007","111.403","0.006","1061.5","0.4","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 F N O2 -","- C28 H20 F N O2 -","- C56 H40 F2 N2 O4 -","2","1","","He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee","An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes","Chemical Science","2022","","","","","10.1039/D2SC04431E","","","0.71073","MoKα","","0.1646","0.0686","","","0.1612","0.2094","","","","","","0.995","","","","has coordinates","278932","2022-11-03","23:14:46",""
"1567899","4.8767","0.0003","9.4727","0.0007","24.3972","0.0019","89.426","0.003","89.496","0.003","77.542","0.003","1100.42","0.14","300.01","","300.01","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","","He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee","An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes","Chemical Science","2022","","","","","10.1039/D2SC04431E","","","0.71073","MoKα","","0.1128","0.0673","","","0.1576","0.1837","","","","","","1.016","","","","has coordinates,has disorder","278932","2022-11-03","23:14:46",""
"1567900","9.1016","0.0005","14.4759","0.0006","28.6257","0.0014","90","","90","","90","","3771.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Br Mn N4 O2 P -","- C16 H21 Br Mn N4 O2 P -","- C128 H168 Br8 Mn8 N32 O16 P8 -","8","1","","Shabade, Anand B.; Sharma, Dipesh M.; Bajpai, Priyam; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by well-defined mixed donor Mn(I) pincer catalyst","Chemical Science","2022","","","","","10.1039/D2SC05274A","","","0.71073","MoKα","","0.0882","0.0494","","","0.0889","0.1012","","","","","","1.051","","","","has coordinates","278934","2022-11-03","23:15:23",""
"1567901","25.3169","0.0018","15.0051","0.0011","19.9071","0.0015","90","","94.325","0.003","90","","7540.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th0.999 -","- C528 H224 N16 Ni4 Th3.996 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0782","0.0567","","","0.1366","0.1474","","","","","","1.03","","","","has coordinates,has disorder","280163","2023-01-06","09:34:08",""
"1567902","25.261","0.002","14.9722","0.0011","19.9879","0.0017","90","","94.646","0.004","90","","7534.8","1","120","2","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C132 H56 N4 Ni Th -","- C132 H56 N4 Ni Th1.001 -","- C528 H224 N16 Ni4 Th4.004 -","4","0.5","","Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning","ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes.","Chemical science","2022","13","44","12980","12986","10.1039/d2sc04846a","","","1.34138","GaKα","","0.0914","0.0773","","","0.2098","0.223","","","","","","1.061","","","","has coordinates,has disorder","280163","2023-01-06","09:34:10",""
"1567903","10.4436","0.0005","17.3961","0.0009","17.8229","0.0009","79.729","0.003","77.923","0.003","83.103","0.003","3104.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","","- C63 H49 B2 F30 N4 O2 -","- C63 H49 B2 F30 N4 O2 -","- C126 H98 B4 F60 N8 O4 -","2","1","BT4128","Butcher, Ray J.; Purdy, Andrew P.","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","IUCrData","2022","7","11","x221049","","10.1107/S2414314622010495","","","0.71073","MoKα","","0.1262","0.0607","","","0.1124","0.1315","","","","","","1.002","","","","has coordinates","278949","2022-11-05","03:02:22",""
"1567904","16.9178","0.0013","13.6023","0.001","12.8848","0.001","90","","108.53","0.003","90","","2811.3","0.4","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H40 F18 Fe4 N6 O2 -","- C12 H36 F18 Fe4 N6 O2 -","- C48 H144 F72 Fe16 N24 O8 -","4","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.0524","0.0331","","","0.0843","0.0913","","","","","","1.006","","","","has coordinates,has disorder","279032","2022-11-07","14:55:37",""
"1567905","11.4695","0.0008","5.8774","0.0004","13.609","0.001","90","","91.553","0.006","90","","917.06","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 F5 Fe N2 O -","- C4 H14 F5 Fe N2 O -","- C16 H56 F20 Fe4 N8 O4 -","4","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.0275","0.025","","","0.0756","0.0769","","","","","","1.045","","","","has coordinates","279033","2022-11-07","14:56:03",""
"1567906","20.5365","0.0014","13.5405","0.0009","13.5727","0.0009","90","","92.588","0.004","90","","3770.4","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 F13 Fe3 N4 O -","- C8 H24 F13 Fe3 N4 O -","- C64 H192 F104 Fe24 N32 O8 -","8","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.1386","0.0608","","","0.1364","0.179","","","","","","1.014","","","","has coordinates","279034","2022-11-07","14:56:31",""
"1567907","15.9809","0.0005","8.5994","0.0003","15.5441","0.0005","90","","102.998","0.001","90","","2081.43","0.12","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br2 N3 Ni -","- C21 H19 Br2 N3 Ni -","- C84 H76 Br8 N12 Ni4 -","4","0.5","","Norouziyanlakvan, Somayeh; Ferguson, Jonathan; Richeson, Darrin","Electrocatalytic hydrogen production from neutral water using an aqueous Ni(ii) pincer complex","Catalysis Science & Technology","2022","12","24","7494","7500","10.1039/D2CY01504H","","","0.71073","MoKα","","0.0284","0.0244","","","0.0616","0.065","","","","","","1.105","","","","has coordinates","280156","2023-01-06","09:26:23",""
"1567908","13.555","0.002","15.389","0.003","17.007","0.003","77.732","0.003","70.231","0.003","81.83","0.003","3252.8","1","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H64.5 Cl N10 Ni2 O4.75 -","- C64 H64.5 Cl N10 Ni2 O4.75 -","- C128 H129 Cl2 N20 Ni4 O9.5 -","2","1","","Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V.","Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate","Magnetochemistry","2022","8","10","132","","10.3390/magnetochemistry8100132","","","0.71073","MoKα","","0.166","0.0794","","","0.1799","0.2188","","","","","","0.955","","","","has coordinates","279055","2022-11-08","03:38:49",""
"1567909","12.2327","0.0003","13.0491","0.0003","20.7742","0.0005","72.935","0.001","77.21","0.001","89.982","0.001","3084","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H61 Cl N10 Ni2 O5 -","- C70 H61 Cl N10 Ni2 O5 -","- C140 H122 Cl2 N20 Ni4 O10 -","2","1","","Nikovskiy, Igor A.; Karnaukh, Kseniia M.; Aleshin, Dmitry Yu.; Spiridonov, Kirill A.; Danshina, Anastasia A.; Nelyubina, Yulia V.; Polezhaev, Alexander V.; Novikov, Valentin V.","Binuclear Nickel Complexes of a New Di(hydroxyphenyl)imidazolate","Magnetochemistry","2022","8","10","132","","10.3390/magnetochemistry8100132","","","0.71073","MoKα","","0.2209","0.0811","","","0.2341","0.2702","","","","","","1.1","","","","has coordinates,has disorder","279056","2022-11-08","03:39:33",""
"1567910","10.002","0.0003","10.002","0.0003","8.3831","0.0002","90","","90","","120","","726.29","0.04","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.71 K0.842 Na2.868 O16 Si4.29 -","- Al3.91 K0.842 Na2.868 O15.9999 Si3.886 -","- Al7.82 K1.684 Na5.736 O31.9998 Si7.772 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0233","0.0211","","","0.0328","0.0334","","","","1.29","1.29","1.27","","","","has coordinates","279057","2022-11-08","06:02:17",""
"1567911","9.9965","0.0007","9.9965","0.0007","8.3796","0.0017","90","","90","","120","","725.19","0.16","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.585 K0.71 Na2.875 O16 Si4.415 -","- Al4.01 K0.72 Na2.898 O15.9999 Si3.905 -","- Al8.02 K1.44 Na5.796 O31.9998 Si7.81 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0204","0.0191","","","0.0282","0.0286","","","","1.13","1.13","1.12","","","","has coordinates","279058","2022-11-08","06:02:46",""
"1567912","5.2957","0.0003","10.3964","0.0006","8.0451","0.0005","90","","95.262","0.006","90","","441.07","0.05","473","2","473","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0617","0.041","","","0.0608","0.0651","","","","","","0.945","","","","has coordinates","279059","2022-11-08","06:03:13",""
"1567913","5.2854","0.0004","10.3919","0.0008","8.0394","0.0007","90","","95.445","0.008","90","","439.57","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0443","","","0.0938","0.0965","","","","","","0.99","","","","has coordinates","279060","2022-11-08","06:03:34",""
"1567914","5.2918","0.0003","10.3948","0.0006","8.0425","0.0005","90","","95.309","0.005","90","","440.5","0.05","423","2","423","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.054","0.0399","","","0.0657","0.0691","","","","","","1.004","","","","has coordinates","279061","2022-11-08","06:04:07",""
"1567915","5.284","0.0003","10.3901","0.0005","8.0347","0.0005","90","","95.359","0.005","90","","439.19","0.04","323","2","323","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0507","0.0388","","","0.0664","0.0692","","","","","","1.015","","","","has coordinates","279062","2022-11-08","06:04:36",""
"1567916","8.8073","0.0011","9.9861","0.0011","9.406","0.0011","90","","91.471","0.01","90","","826.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As4 Ba2 O16 Zn4 -","- As4 Ba2 O16 Zn4 -","- As8 Ba4 O32 Zn8 -","2","0.5","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.2347","0.1052","","","0.2259","0.2999","","","","","","1.031","","","","has coordinates","279063","2022-11-08","06:04:58",""
"1567917","5.2882","0.0003","10.394","0.0005","8.0395","0.0005","90","","95.346","0.005","90","","439.97","0.04","373","2","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0381","","","0.0637","0.068","","","","","","1.007","","","","has coordinates","279064","2022-11-08","06:05:28",""
"1567918","5.3037","0.0004","10.3959","0.0007","8.0483","0.0006","90","","95.285","0.007","90","","441.87","0.06","573","2","573","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0706","0.0459","","","0.0739","0.0801","","","","","","1.011","","","","has coordinates","279065","2022-11-08","06:05:47",""
"1567919","5.2986","0.0003","10.3948","0.0006","8.0462","0.0005","90","","95.263","0.006","90","","441.3","0.05","523","2","523","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0606","0.0423","","","0.0725","0.0779","","","","","","1.009","","","","has coordinates","279066","2022-11-08","06:06:07",""
"1567920","10.4698","0.0002","12.0899","0.0003","13.9747","0.0003","90","","107.666","0.002","90","","1685.48","0.07","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H57 Ce O2 -","- C37 H57 Ce O2 -","- C74 H114 Ce2 O4 -","2","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.027","0.0226","","","0.0464","0.0474","","","","","","1.055","","","","has coordinates","279121","2022-11-08","23:13:20",""
"1567921","8.5165","0.0004","10.4652","0.0004","19.4321","0.0008","90","","92.032","0.001","90","","1730.83","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ce","","- C36 H52 Ce2 Cl2 -","- C36 H52 Ce2 Cl2 -","- C72 H104 Ce4 Cl4 -","2","0.5","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.7288","synchrotron","","0.0514","0.049","","","0.1212","0.1239","","","","","","1.068","","","","has coordinates","279121","2022-11-08","23:13:20",""
"1567922","16.2557","0.0002","8.829","0.0001","18.3743","0.0002","90","","105.141","0.001","90","","2545.56","0.05","100","0.11","100","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Ce O -","- C29 H41 Ce O -","- C116 H164 Ce4 O4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.0216","0.0183","","","0.0399","0.0407","","","","","","1.058","","","","has coordinates","279121","2022-11-08","23:13:21",""
"1567923","13.9176","0.0001","17.014","0.0003","19.2571","0.0003","99.074","0.001","98.357","0.001","91.475","0.001","4449.56","0.11","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C92 H142 Mg2 N8 O4 -","- C92 H142 Mg2 N8 O4 -","- C184 H284 Mg4 N16 O8 -","2","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0585","0.0494","","","0.1188","0.1238","","","","","","1.045","","","","has coordinates,has disorder","279121","2022-11-08","23:13:21",""
"1567924","13.3005","0.0001","22.0278","0.0001","15.6348","0.0001","90","","113.567","0.001","90","","4198.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 La N2 O -","- C45 H63 La N2 O -","- C180 H252 La4 N8 O4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0226","0.0214","","","0.0545","0.0551","","","","","","1.069","","","","has coordinates,has disorder","279121","2022-11-08","23:13:21",""
"1567925","17.5622","0.0003","9.4099","0.0001","16.2878","0.0003","90","","108.821","0.002","90","","2547.78","0.08","99.99","0.11","99.99","0.11","","","","","","","","6","I 1 a 1","I -2ya","9","","5-Ce","","- C23 H34 Ce F3 O4 S -","- C23 H34 Ce F3 O4 S -","- C92 H136 Ce4 F12 O16 S4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.0432","0.0413","","","0.1179","0.12","","","","","","0.928","","","","has coordinates","279121","2022-11-08","23:13:21",""
"1567926","10.6673","0.0001","17.4641","0.0001","19.304","0.0001","90","","89.907","0.001","90","","3596.23","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ce","","- C38 H55 Ce N2 O -","- C38 H55 Ce N2 O -","- C152 H220 Ce4 N8 O4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.0232","0.019","","","0.0434","0.0453","","","","","","1.061","","","","has coordinates","279121","2022-11-08","23:13:21",""
"1567927","13.1713","0.0002","18.0503","0.0002","23.2076","0.0004","90","","104.996","0.002","90","","5329.61","0.14","99.99","0.13","99.99","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H76 Mg2 N4 O2 -","- C57.5 H76 Mg2 N4 O2 -","- C230 H304 Mg8 N16 O8 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0708","0.0598","","","0.1611","0.1696","","","","","","1.022","","","","has coordinates,has disorder","279121","2022-11-08","23:13:22",""
"1567928","13.1816","0.0002","22.105","0.0002","15.5529","0.0002","90","","112.938","0.001","90","","4173.45","0.1","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 N2 Nd O -","- C45 H63 N2 Nd O -","- C180 H252 N8 Nd4 O4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0369","0.0334","","","0.0779","0.0795","","","","","","1.103","","","","has coordinates,has disorder","279121","2022-11-08","23:13:22",""
"1567929","11.376","0.0004","15.398","0.0007","12.4103","0.0004","90","","91.155","0.003","90","","2173.44","0.14","99.99","0.14","99.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-La","","- C44 H68 Cl2 La2 O2 -","- C44 H68 Cl2 La2 O2 -","- C88 H136 Cl4 La4 O4 -","2","0.5","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0712","0.0558","","","0.1345","0.1422","","","","","","1.136","","","","has coordinates","279121","2022-11-08","23:13:22",""
"1567930","9.6336","0.0001","10.0767","0.0001","16.3047","0.0002","93.243","0.001","90.396","0.001","107.678","0.001","1505.14","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H49 Ce O -","- C33 H49 Ce O -","- C66 H98 Ce2 O2 -","2","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","0.71073","MoKα","","0.024","0.0205","","","0.0438","0.0447","","","","","","1.052","","","","has coordinates","279121","2022-11-08","23:13:22",""
"1567931","10.6869","0.00005","17.26346","0.00008","19.16251","0.00008","90","","90.4636","0.0004","90","","3535.23","0.03","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 N2 O Sm -","- C38 H55 N2 O Sm -","- C152 H220 N8 O4 Sm4 -","4","1","","Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise","Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity","Chemical Science","2022","","","","","10.1039/D2SC04192H","","x-ray","1.54184","CuKα","","0.0232","0.0225","","","0.0559","0.0563","","","","","","1.055","","","","has coordinates","279121","2022-11-08","23:13:22",""
"1567932","13.9677","0.0011","9.7997","0.0005","18.4125","0.0014","90","","92.98","0.003","90","","2516.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H25 N3 O3 S -","- C29 H25 N3 O3 S -","- C116 H100 N12 O12 S4 -","4","1","VM4053","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","11","x221047","","10.1107/S2414314622010471","","","0.71073","MoKα","","0.0777","0.0507","","","0.1305","0.1528","","","","","","1.045","","","","has coordinates,has disorder","279136","2022-11-09","03:15:48",""
"1567933","18.129","0.0006","11.0936","0.0005","17.9971","0.0007","90","","104.849","0.004","90","","3498.6","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O3 P2 -","- C38 H34 Ag N O3 P2 -","- C152 H136 Ag4 N4 O12 P8 -","4","0.5","TK4086","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","IUCrData","2022","7","11","x221045","","10.1107/S2414314622010458","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1066","0.109","","","","","","1.062","","","","has coordinates","279137","2022-11-09","03:16:10",""
"1567935","9.5732","0.0003","9.5732","0.0003","15.8202","0.0011","90","","90","","120","","1255.62","0.1","298","2","298","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C3 H12 Cl N2 Na3 O21 Rb6 -","- C3 H12 Cl N2 Na3 O21 Rb6 -","- C6 H24 Cl2 N4 Na6 O42 Rb12 -","2","0.0833333","","Cheng, Meng; Jin, Wenqi; Yang, Zhihua; Pan, Shilie","Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material","Chemical Science","2022","","","","","10.1039/D2SC03771H","","","0.71073","MoKα","","0.0393","0.0238","","","0.0457","0.0511","","","","","","1.068","","","","has coordinates","279160","2022-11-09","23:12:48",""
"1567936","10.7165","0.0003","17.976","0.0004","19.6298","0.0004","80.478","0.001","84.376","0.001","84.004","0.001","3696.4","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H112 Fe K2 N3 O13 Si6 -","- C55 H112 Fe K2 N3 O13 Si6 -","- C110 H224 Fe2 K4 N6 O26 Si12 -","2","1","","Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar","Taming the Stilbene Radical Anion","Chemical Science","2022","","","","","10.1039/D2SC04451J","","","0.71073","MoKα","","0.0584","0.0345","","","0.0868","0.0918","","","","","","1.075","","","","has coordinates,has disorder","279161","2022-11-09","23:14:10",""
"1567937","12.1227","0.0008","18.3502","0.0012","21.0291","0.0014","90","","104.641","0.005","90","","4526.1","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H70 Fe K N2 O6 Si4 -","- C33 H70 Fe K N2 O6 Si4 -","- C132 H280 Fe4 K4 N8 O24 Si16 -","4","1","","Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar","Taming the Stilbene Radical Anion","Chemical Science","2022","","","","","10.1039/D2SC04451J","","","0.71073","MoKα","","0.0607","0.0372","","","0.0944","0.1008","","","","","","0.951","","","","has coordinates","279161","2022-11-09","23:14:11",""
"1567938","37.3486","0.0017","13.2014","0.0004","27.113","0.002","90","","130.575","0.002","90","","10153.9","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H77 Fe K N2 O6.5 Si4 -","- C40 H77 Fe K N2 O6.5 Si4 -","- C320 H616 Fe8 K8 N16 O52 Si32 -","8","1","","Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar","Taming the Stilbene Radical Anion","Chemical Science","2022","","","","","10.1039/D2SC04451J","","","0.71073","MoKα","","0.071","0.0549","","","0.1045","0.1086","","","","","","1.137","","","","has coordinates,has disorder","279161","2022-11-09","23:14:11",""
"1567939","16.0976","0.001","15.8981","0.0008","26.7651","0.0015","90","","93.037","0.002","90","","6840.1","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H213 Fe2 K3 N6 O24 Si12 -","- C98 H215 Fe2 K3 N6 O24 Si12 -","- C196 H430 Fe4 K6 N12 O48 Si24 -","2","0.5","","Sieg, Grégoire; Müller, Igor; Weißer, Kilian; Werncke, Gunnar","Taming the Stilbene Radical Anion","Chemical Science","2022","","","","","10.1039/D2SC04451J","","","0.71073","MoKα","","0.0648","0.0441","","","0.1075","0.1176","","","","","","1.018","","","","has coordinates,has disorder","279161","2022-11-09","23:14:11",""
"1567942","11.3302","0.0001","9.304","0.0001","15.2511","0.0001","90","","92.039","0.001","90","","1606.69","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0384","0.0358","","","0.0917","0.0935","","","","","","1.061","","","","has coordinates","279213","2022-11-10","23:12:20",""
"1567943","11.1121","0.0001","14.4482","0.0001","11.0686","0.0001","90","","100.581","0.001","90","","1746.85","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0442","0.0417","","","0.1039","0.1057","","","","","","1.052","","","","has coordinates,has disorder","279213","2022-11-10","23:12:21",""
"1567944","14.1132","0.0001","19.7985","0.0002","5.9243","0.0001","90","","90","","90","","1655.37","0.03","99.97","0.1","99.97","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0319","0.0312","","","0.0777","0.0783","","","","","","1.048","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1567945","17.2159","0.0002","10.1372","0.0001","20.2267","0.0002","90","","110.546","0.001","90","","3305.44","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","2","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0487","0.0442","","","0.1209","0.1248","","","","","","1.059","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1567946","15.9276","0.0003","5.55609","0.00009","27.3254","0.0005","90","","98.7546","0.0018","90","","2389.99","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N O3 -","- C31 H29 N O3 -","- C124 H116 N4 O12 -","4","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.0762","0.0706","","","0.1831","0.1865","","","","","","1.099","","","","has coordinates,has disorder","279213","2022-11-10","23:12:21",""
"1567947","7.1424","0.0001","9.2977","0.0001","13.9152","0.0002","93.729","0.001","99.197","0.001","107.703","0.002","862.63","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.034","0.0325","","","0.0764","0.0772","","","","","","1.081","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1567948","12.1762","0.0001","11.5704","0.0001","7.9829","0.0001","90","","94.522","0.001","90","","1121.16","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C54 H54 N2 O6 S2 -","2","1","","Hernandez, Jackson; Frontier, Alison","Alkynyl Prins Carbocyclization Cascades for the Synthesis of Linear-Fused Heterocyclic Ring Systems","Chemical Science","2022","","","","","10.1039/D2SC04750K","","x-ray","1.54184","CuKα","","0.045","0.0438","","","0.1208","0.1219","","","","","","1.097","","","","has coordinates","279213","2022-11-10","23:12:21",""
"1567949","11.5747","0.0008","12.723","0.0008","20.5456","0.0014","80.883","0.001","79.267","0.001","84.493","0.001","2928.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H84 N2 O2 U -","- C65 H84 N2 O2 U -","- C130 H168 N4 O4 U2 -","2","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.0647","0.0425","","","0.0876","0.0953","","","","","","1.018","","","","has coordinates,has disorder","279214","2022-11-10","23:13:50",""
"1567950","26.661","0.004","15.845","0.003","19.116","0.003","90","","90","","90","","8075","2","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C82 H81 B F20 N2 O Si U -","- C82 H81 B F20 N2 O Si U -","- C328 H324 B4 F80 N8 O4 Si4 U4 -","4","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.1096","0.0522","","","0.1029","0.1274","","","","","","1.015","","","","has coordinates","279214","2022-11-10","23:13:50",""
"1567951","13.916","0.003","17.437","0.004","19.155","0.004","95.996","0.003","111.194","0.003","95.687","0.003","4262.7","1.6","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C93 H91 B F20 N2 O Si U -","- C93 H91 B F20 N2 O Si U -","- C186 H182 B2 F40 N4 O2 Si2 U2 -","2","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.0404","0.0289","","","0.0639","0.0675","","","","","","1.022","","","","has coordinates,has disorder","279214","2022-11-10","23:13:50",""
"1567952","26.5251","0.0018","15.7375","0.0011","18.8824","0.0013","90","","90","","90","","7882.2","0.9","100","2","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C87 H83 B F22 N2 O Si U -","- C87 H83 B F22 N2 O Si U -","- C348 H332 B4 F88 N8 O4 Si4 U4 -","4","1","","Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.","Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity","Chemical Science","2022","","","","","10.1039/D2SC04302E","","","0.71073","MoKα","","0.0485","0.0301","","","0.062","0.0669","","","","","","1","","","","has coordinates,has disorder","279214","2022-11-10","23:13:51",""
"1567953","11.8295","0.0003","15.3397","0.0006","15.9371","0.0006","115.76","0.005","106.946","0.004","97.999","0.003","2369.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H77 Br O1.5 P2 Pd -","- C45 H77 Br O1.5 P2 Pd -","- C90 H154 Br2 O3 P4 Pd2 -","2","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0437","0.042","","","0.1175","0.1191","","","","","","1.047","","","","has coordinates,has disorder","279215","2022-11-10","23:16:21",""
"1567954","12.62782","0.0001","17.78901","0.00012","18.10483","0.00013","90","","90","","90","","4067","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H63 Cl5 P2 Pd -","- C38 H63 Cl5 P2 Pd -","- C152 H252 Cl20 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0203","0.0197","","","0.052","0.0522","","","","","","1.073","","","","has coordinates","279215","2022-11-10","23:16:22",""
"1567955","9.8304","0.0001","16.8108","0.0001","24.1396","0.0002","90","","93.664","0.001","90","","3981.08","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H61 Cl5 P2 Pd -","- C33 H61 Cl5 P2 Pd -","- C132 H244 Cl20 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0274","0.0257","","","0.0621","0.0631","","","","","","1.052","","","","has coordinates","279215","2022-11-10","23:16:22",""
"1567956","17.0122","0.0006","14.9105","0.0003","18.1097","0.0012","90","","109.673","0.005","90","","4325.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H55 Cl3 P2 Pd -","- C28 H55 Cl3 P2 Pd -","- C112 H220 Cl12 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0642","0.0588","","","0.1524","0.1552","","","","","","1.065","","","","has coordinates","279215","2022-11-10","23:16:22",""
"1567957","10.5375","0.0001","17.5174","0.0002","18.2109","0.0002","90","","92.938","0.001","90","","3357.12","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 Br2 P2 Pd -","- C32 H58 Br2 P2 Pd -","- C128 H232 Br8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.041","0.0363","","","0.0925","0.0946","","","","","","1.104","","","","has coordinates","279215","2022-11-10","23:16:22",""
"1567958","9.844","0.0001","16.99413","0.00017","19.4275","0.0002","90","","98.2226","0.001","90","","3216.62","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 Cl2 P2 Pd -","- C32 H58 Cl2 P2 Pd -","- C128 H232 Cl8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.076","0.0661","","","0.1848","0.1964","","","","","","1.091","","","","has coordinates,has disorder","279215","2022-11-10","23:16:22",""
"1567959","10.5861","0.0001","17.7689","0.0002","18.6428","0.0002","90","","92.164","0.001","90","","3504.27","0.06","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 I2 P2 Pd -","- C32 H58 I2 P2 Pd -","- C128 H232 I8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0434","0.0388","","","0.0968","0.0996","","","","","","1.051","","","","has coordinates","279215","2022-11-10","23:16:23",""
"1567960","22.1819","0.0009","9.9664","0.0004","20.8757","0.0007","90","","94.071","0.004","90","","4603.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H71 Cl3 O P2 Pd -","- C42 H71 Cl3 O P2 Pd -","- C168 H284 Cl12 O4 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0786","0.0581","","","0.1497","0.1586","","","","","","1.08","","","","has coordinates,has disorder","279215","2022-11-10","23:16:23",""
"1567961","12.8401","0.0002","15.1413","0.0003","20.398","0.0004","90","","106.091","0.002","90","","3810.33","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Cl2 P2 Pd -","- C38 H62 Cl2 P2 Pd -","- C152 H248 Cl8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0489","0.0444","","","0.123","0.1264","","","","","","1.126","","","","has coordinates","279215","2022-11-10","23:16:23",""
"1567962","19.1244","0.0002","10.5054","0.0001","17.9999","0.0002","90","","94.926","0.001","90","","3602.99","0.07","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H60 Cl2 P2 Pd -","- C37 H60 Cl2 P2 Pd -","- C148 H240 Cl8 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0244","0.0244","","","0.0652","0.0653","","","","","","1.079","","","","has coordinates","279215","2022-11-10","23:16:23",""
"1567963","16.6132","0.0006","18.7606","0.0012","32.1149","0.0013","90","","90","","90","","10009.4","0.8","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C154.4 H88.4 Cl1.2 N2 -","- C154.4 H88.4 Cl1.2 N2 -","- C617.6 H353.6 Cl4.8 N8 -","4","1","","Deng, Han; Guo, Zilong; Wang, Yaxin; Li, Ke; Zhou, Qin; Ge, Chang; Xu, Zhanqiang; Sato, Sota; Ma, Xiaonan; Sun, Zhe","Modular Synthesis, Host-Guest Complexation and Solvation-Controlled Relaxation of Nanohoops with Donor-Acceptor Structures","Chemical Science","2022","","","","","10.1039/D2SC05804A","","","1.54184","CuKα","","0.1498","0.0742","","","0.1687","0.2103","","","","","","0.976","","","","has coordinates,has disorder","279216","2022-11-10","23:17:36",""
"1567964","10.8668","0.0011","9.9356","0.0009","17.4186","0.0018","90","","105.376","0.004","90","","1813.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br P -","- C21 H20 Br P -","- C84 H80 Br4 P4 -","4","1","","Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo","A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides","Polymer Chemistry","2022","13","47","6551","6563","10.1039/D2PY01001A","","","0.71073","MoKα","","0.1057","0.0695","","","0.1626","0.1754","","","","","","1.076","","","","has coordinates","280223","2023-01-06","10:06:20",""
"1567965","11.3364","0.0013","10.3332","0.0012","18.1348","0.0018","90","","104.699","0.003","90","","2054.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br P -","- C22 H22 Br P -","- C88 H88 Br4 P4 -","4","1","","Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo","A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides","Polymer Chemistry","2022","13","47","6551","6563","10.1039/D2PY01001A","","","0.71073","MoKα","","0.1062","0.0553","","","0.126","0.1463","","","","","","1.044","","","","has coordinates,has disorder","280223","2023-01-06","10:06:20",""
"1567966","9.6781","0.0001","11.1154","0.0001","14.2033","0.0002","90","","103.627","0.001","90","","1484.92","0.03","123.01","0.1","123.01","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C17 H19 F2 N O -","- C17 H19 F2 N O -","- C68 H76 F8 N4 O4 -","4","1","","Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P.","Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations","Chemical Science","2022","","","","","10.1039/D2SC05735B","","x-ray","1.54184","CuKα","","0.0378","0.0364","","","0.0949","0.0962","","","","","","1.038","","","","has coordinates","279236","2022-11-11","23:14:54",""
"1567967","10.4636","0.0004","6.90652","0.00018","16.1323","0.0006","90","","108.458","0.004","90","","1105.86","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","SY 635","","- C25 H35.086 F0.914 O5 -","- C25 H35.087 F0.913 O5 -","- C50 H70.174 F1.826 O10 -","2","1","","Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P.","Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations","Chemical Science","2022","","","","","10.1039/D2SC05735B","","x-ray","1.54184","CuKα","","0.0666","0.0443","","","0.0947","0.1052","","","","","","1.0399","","","","has coordinates,has disorder","279236","2022-11-11","23:14:54",""
"1567968","21.2092","0.0006","21.2092","0.0006","9.3816","0.0003","90","","90","","90","","4220.1","0.2","120","","120","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C22.4 H17 Cl0.6 F6 N2.4 Pt S0.4 -","- C22.4 H17 Cl0.6 F6 N2.4 Pt S0.4 -","- C179.2 H136 Cl4.8 F48 N19.2 Pt8 S3.2 -","8","1","","Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X","Chemical Science","2022","","","","","10.1039/D2SC05023D","","x-ray","0.71073","MoKα","","0.1036","0.0622","","","0.1183","0.1311","","","","","","1.175","","","","has coordinates,has disorder","279237","2022-11-11","23:22:56",""
"1567969","10.8783","0.0003","6.7723","0.0002","12.3368","0.0003","90","","108.519","0.001","90","","861.8","0.04","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H17 I N4 Pt -","- C18 H17 I N4 Pt -","- C36 H34 I2 N8 Pt2 -","2","0.5","","Salthouse, Rebecca J.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Near-infrared electroluminescence beyond 940 nm in Pt(N^C^N)X complexes: influencing aggregation with the ancillary ligand X","Chemical Science","2022","","","","","10.1039/D2SC05023D","","x-ray","0.71073","MoKα","","0.0336","0.0311","","","0.0691","0.0699","","","","","","1.203","","","","has coordinates","279237","2022-11-11","23:22:57",""
"1567970","18.9568","0.0009","8.083","0.0003","19.9282","0.0009","90","","114.25","0.002","90","","2784.1","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[VO(TrPP)]","((5,10,15-triphenyl porphyrinate)-oxovanadium(IV))","","- C38 H24 N4 O V -","- C38 H24 N4 O V -","- C152 H96 N16 O4 V4 -","4","1","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0876","0.0831","","","0.2182","0.2246","","","","","","1.066","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567971","20.8648","0.0013","27.1717","0.0013","11.4881","0.0006","90","","90","","90","","6513","0.6","104","","104","","","","","","","","","5","C c c 2","C 2 -2c","37","[VO(TrPP)]2","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv))","","- C19 H11.5 N2 O0.5 V0.5 -","- C19 H11.5 N2 O0.5 V0.5 -","- C304 H184 N32 O8 V8 -","16","2","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0741","0.0733","","","0.218","0.2188","","","","","","1.049","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567972","29.2955","0.0012","11.3883","0.0005","22.5512","0.0009","90","","96.942","0.002","90","","7468.5","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[VO(TrPP)]2(C7H8)3","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv)) toluene tris-solvate","","- C97 H46 N8 O2 V2 -","- C97 H46 N8 O2 V2 -","- C388 H184 N32 O8 V8 -","4","0.5","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0665","0.0638","","","0.1636","0.1655","","","","","","1.104","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567973","16.218","0.002","10.98","0.0015","11.7185","0.0016","90","","107.344","0.007","90","","1991.9","0.5","260","2","259.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 F O4 -","- C22 H17 Cl2 F O4 -","- C88 H68 Cl8 F4 O16 -","4","1","","Li, Hongyi; Yin, Chang; Liu, Sien; Tu, Hua; Lin, Ping; Chen, Jing; Su, Weiping","Multiple remote C(sp3)–H functionalizations of aliphatic ketones via bimetallic Cu–Pd catalyzed successive dehydrogenation","Chemical Science","2022","","","","","10.1039/D2SC05370E","","","0.71073","MoKα","","0.1472","0.0602","","","0.1394","0.1999","","","","","","1.052","","","","has coordinates","279269","2022-11-14","23:20:47",""
"1567974","16.3337","0.0003","16.3337","0.0003","20.1543","0.0005","90","","90","","90","","5376.96","0.19","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H10 Br Cu2 N3 -","- C6 H10 Br Cu2 N3 -","- C96 H160 Br16 Cu32 N48 -","16","1","","Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo","Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds","Nanoscale","2022","","","","","10.1039/D2NR04187A","","x-ray","0.71073","MoKα","","0.0317","0.028","","","0.0881","0.0891","","","","","","1.111","","","","has coordinates,has disorder","279276","2022-11-15","01:31:41",""
"1567975","16.5753","0.0017","16.5753","0.0017","19.196","0.0018","90","","90","","90","","5273.9","0.9","298","2","298.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H14 Br Cu2 N3 -","- C8 H14 Br Cu2 N3 -","- C128 H224 Br16 Cu32 N48 -","16","1","","Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo","Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds","Nanoscale","2022","","","","","10.1039/D2NR04187A","","x-ray","0.71073","MoKα","","0.0752","0.0349","","","0.0777","0.0984","","","","","","1.046","","","","has coordinates,has disorder","279276","2022-11-15","01:31:42",""
"1567976","15.9814","0.0007","15.9814","0.0007","20.7345","0.0018","90","","90","","90","","5295.7","0.6","153.02","","153.02","","","","","","","","","5","I 41/a :2","-I 4ad","88","","SNNU-314-Cl","","- C8 H14 Cl Cu2 N3 -","- C8 H14 Cl Cu2 N3 -","- C128 H224 Cl16 Cu32 N48 -","16","1","","Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo","Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds","Nanoscale","2022","","","","","10.1039/D2NR04187A","","x-ray","1.54178","CuKα","","0.0665","0.0652","","","0.2007","0.2028","","","","","","1.03","","","","has coordinates,has disorder","279276","2022-11-15","01:31:42",""
"1567977","16.0496","0.0006","16.0496","0.0006","20.19","0.0017","90","","90","","90","","5200.7","0.5","153","2","153.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","SNNU-313-Cl","","- C6 H8 Cl Cu2 N3 -","- C6 H8 Cl Cu2 N3 -","- C96 H128 Cl16 Cu32 N48 -","16","1","","Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo","Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds","Nanoscale","2022","","","","","10.1039/D2NR04187A","","x-ray","1.54184","CuKα","","0.0868","0.0838","","","0.2407","0.2468","","","","","","1.139","","","","has coordinates,has disorder","279276","2022-11-15","01:31:43",""
"1567978","9.2062","0.0004","9.321","0.0004","25.5135","0.0011","85.783","0.002","82.881","0.002","60.977","0.001","1899.43","0.14","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H72 P2 -","- C36 H72 P2 -","- C72 H144 P4 -","2","1","","Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out","Chemical Science","2022","","","","","10.1039/D2SC04724A","","","1.54178","CuKα","","0.0449","0.0414","","","0.1038","0.1063","","","","","","1.046","","","","has coordinates","279331","2022-11-16","23:16:48",""
"1567979","9.1903","0.0019","9.1903","0.0019","89.58","0.02","90","","90","","120","","6552","2","110","2","110.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C42 H84 P2 -","- C42 H84 P2 -","- C252 H504 P12 -","6","0.166667","","Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out","Chemical Science","2022","","","","","10.1039/D2SC04724A","","x-ray","1.54178","CuKα","","0.0668","0.04","","","0.0651","0.0707","","","","","","0.959","","","","has coordinates","279331","2022-11-16","23:16:49",""
"1567980","45.099","0.002","12.6445","0.0007","9.399","0.0005","90","","96.694","0.002","90","","5323.3","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C54 H108 P2 -","- C54 H108 P2 -","- C216 H432 P8 -","4","0.5","","Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out","Chemical Science","2022","","","","","10.1039/D2SC04724A","","","1.54178","CuKα","","0.0741","0.0604","","","0.1447","0.1557","","","","","","1.089","","","","has coordinates,has disorder","279331","2022-11-16","23:16:49",""
"1567981","9.0197","0.0005","26.5241","0.0015","35.839","0.002","81.639","0.003","85.64","0.003","87.03","0.003","8451.2","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H114 B2 P2 -","- C54 H114 B2 P2 -","- C324 H684 B12 P12 -","6","3","","Zhu, Yun; Stollenz, Michael; Zarcone, Samuel R.; Kharel, Sugam; Joshi, Hemant; Bhuvanesh, Nattamai; Reibenspies, Joseph H.; Gladysz, John A.","Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out","Chemical Science","2022","","","","","10.1039/D2SC04724A","","","1.54178","CuKα","","0.1582","0.1249","","","0.2338","0.2478","","","","","","1.254","","","","has coordinates","279331","2022-11-16","23:16:49",""
"1567982","20.2191","0.0002","11.5724","0.0001","14.8457","0.0002","90","","92.801","0.001","90","","3469.5","0.07","301.82","0.11","301.82","0.11","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C160 H208 O16 -","8","1","","Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao","InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids","Chemical Science","2022","","","","","10.1039/D2SC04229K","","x-ray","1.54184","CuKα","","0.0495","0.0448","","","0.1272","0.1319","","","","","","1.083","","","","has coordinates,has disorder","279332","2022-11-16","23:17:54",""
"1567983","24.7444","0.0007","6.096","0.0002","22.996","0.0006","90","","95.293","0.002","90","","3453.97","0.18","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","1","","Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao","InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids","Chemical Science","2022","","","","","10.1039/D2SC04229K","","x-ray","1.54184","CuKα","","0.1083","0.0943","","","0.2859","0.3056","","","","","","1.231","","","","has coordinates","279332","2022-11-16","23:17:54",""
"1567984","17.4778","0.0004","17.4778","0.0004","9.964","0.0002","90","","90","","120","","2635.95","0.1","149.99","0.1","149.99","0.1","","","","","","","","2","P 61","P 61","169","","","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao","InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids","Chemical Science","2022","","","","","10.1039/D2SC04229K","","x-ray","1.54184","CuKα","","0.0446","0.0408","","","0.1093","0.1125","","","","","","1.083","","","","has coordinates","279332","2022-11-16","23:17:54",""
"1567985","28.6129","0.0002","15.7456","0.0001","64.158","0.0004","90","","94.437","0.001","90","","28818.3","0.3","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C265 H237 F18 Mo18 N29 O62 P8 S6 -","- C223 H174 F18 Mo18 N8 O62 P8 S6 -","- C892 H696 F72 Mo72 N32 O248 P32 S24 -","4","0.5","","Choudhari, Manjiri; Xu, Jingjing; McKay, Alasdair I.; Guerrin, Clément; Forsyth, Craig; Ma, Howard Z.; Goerigk, Lars; O'Hair, Richard A. J.; Bonnefont, Antoine; Ruhlmann, Laurent; Aloise, Stephane; Ritchie, Chris","A photo-switchable molecular capsule: sequential photoinduced processes","Chemical Science","2022","","","","","10.1039/D2SC04613J","","","1.54184","CuKα","","0.0794","0.0761","","","0.1638","0.1652","","","","","","1.19","","","","has coordinates,has disorder","279333","2022-11-16","23:18:45",""
"1567986","9.7893","0.0005","10.0252","0.0007","10.2988","0.0006","90","","90","","90","","1010.72","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 N5 O2 Zn -","- C8 H9 N5 O2 Zn -","- C32 H36 N20 O8 Zn4 -","4","1","","Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang","Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies","Chemical Science","2022","","","","","10.1039/D2SC05353E","","x-ray","0.71073","MoKα","","0.037","0.0332","","","0.0605","0.0631","","","","","","1.061","","","","has coordinates","279367","2022-11-17","23:09:27",""
"1567987","3.7561","0.0004","10.2354","0.0013","14.2732","0.0016","97.137","0.01","96.109","0.009","92.497","0.009","540.49","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","TrzPy","","- C5 H4 N4 -","- C5 H4 N4 -","- C20 H16 N16 -","4","2","","Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang","Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies","Chemical Science","2022","","","","","10.1039/D2SC05353E","","x-ray","0.71073","MoKα","","0.1484","0.0746","","","0.1374","0.1705","","","","","","1.095","","","","has coordinates","279367","2022-11-17","23:09:27",""
"1567988","9.7703","0.0009","9.9768","0.001","10.6503","0.0009","90","","90","","90","","1038.15","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","PL134","","- C8 H9 N5 O2 Zn -","- C8 H9 N5 O2 Zn -","- C32 H36 N20 O8 Zn4 -","4","1","","Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang","Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies","Chemical Science","2022","","","","","10.1039/D2SC05353E","","x-ray","0.71073","MoKα","","0.0391","0.0359","","","0.0698","0.0724","","","","","","1.061","","","","has coordinates","279367","2022-11-17","23:09:28",""
"1567993","12.3838","0.0012","13.889","0.0014","14.7679","0.0014","64.065","0.002","80.669","0.002","83.913","0.002","2252.3","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H33 Au2 Ni O2 P3 S -","- C42 H33 Au2 Ni O2 P3 S -","- C84 H66 Au4 Ni2 O4 P6 S2 -","2","1","","Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo","Structure and assembly of a hexanuclear AuNi bimetallic nanocluster.","Nanoscale","2022","15","1","109","113","10.1039/d2nr05225c","","","0.71073","MoKα","","0.0962","0.0565","","","0.1347","0.1535","","","","","","1.035","","","","has coordinates","281486","2023-03-04","18:26:25",""
"1567994","39.25","0.005","9.8991","0.0014","17.585","0.002","90","","92.559","0.004","90","","6825.7","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Ni O2 P2 S -","- C40 H36 Ni O2 P2 S -","- C320 H288 Ni8 O16 P16 S8 -","8","2","","Tao, Cheng-Bo; Fan, Ji-Qiang; Fei, Wenwen; Zhao, Yan; Li, Man-Bo","Structure and assembly of a hexanuclear AuNi bimetallic nanocluster.","Nanoscale","2022","15","1","109","113","10.1039/d2nr05225c","","","0.71073","MoKα","","0.1212","0.0801","","","0.1758","0.1947","","","","","","1.049","","","","has coordinates,has disorder","281486","2023-03-04","18:26:25",""
"1567996","22.1165","0.0004","22.1165","0.0004","22.1165","0.0004","90","","90","","90","","10818.1","0.3","119.6","0.8","119.6","0.8","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C168 H168 Cl24 Fe24 N24 O152 Pd12 -","4","0.0833333","","Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo","Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions.","Chemical science","2022","14","1","179","185","10.1039/d2sc05192c","","x-ray","0.71073","MoKα","","0.0598","0.0492","","","0.1301","0.137","","","","","","1.05","","","","has coordinates","283151","2023-05-05","00:54:35",""
"1567997","6.0662","0.0001","6.7946","0.0001","13.7817","0.0003","90","","90","","90","","568.046","0.018","137","6","137","6","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 O4 Pb Rb2 -","- C2 H2 I2 O4 Pb Rb2 -","- C4 H4 I4 O8 Pb2 Rb4 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0186","0.0185","","","0.0421","0.0421","","","","","","1.128","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567998","5.8024","0.0001","6.774","0.0002","13.626","0.0004","90","","90","","90","","535.58","0.02","293","2","293","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 K2 O4 Pb -","- C2 H2 I2 K2 O4 Pb -","- C4 H4 I4 K4 O8 Pb2 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0193","0.0193","","","0.0465","0.0465","","","","","","1.088","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1568012","9.4689","0.0002","20.7919","0.0004","12.8601","0.0003","90","","109.311","0.002","90","","2389.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B N O4 -","- C25 H34 B N O4 -","- C100 H136 B4 N4 O16 -","4","1","","Hirano, Koji; Nishino, Soshi; Nishii, Yuji","anti-Selective synthesis of β-boryl-α-amino acid derivatives by Cu-catalysed borylamination of α,β-unsaturated esters","Chemical Science","2022","","","","","10.1039/D2SC06003E","","x-ray","1.54184","CuKα","","0.0493","0.0462","","","0.1198","0.1221","","","","","","1.049","","","","has coordinates","279548","2022-11-24","23:09:50",""
"1568013","10.939","0.0006","13.109","0.0006","18.4122","0.001","85.943","0.004","80.643","0.004","72.033","0.004","2477.5","0.2","173.01","0.1","173.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cl7 P2 Re -","- C54 H46 Cl7 P2 Re -","- C108 H92 Cl14 P4 Re2 -","2","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0324","0.0283","","","0.0678","0.0699","","","","","","1.025","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568014","11.082","0.0002","18.4374","0.0003","15.6667","0.0003","90","","107.276","0.002","90","","3056.66","0.1","100.01","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl3 P2 Re -","- C32 H36 Cl3 P2 Re -","- C128 H144 Cl12 P8 Re4 -","4","0.5","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0174","0.0167","","","0.0417","0.0421","","","","","","1.041","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568015","23.4928","0.0003","11.58031","0.00015","13.76598","0.00019","90","","90","","90","","3745.09","0.09","220.02","0.1","220.02","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 Cl3 P2 Re -","- C42 H38 Cl3 P2 Re -","- C168 H152 Cl12 P8 Re4 -","4","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0394","0.0357","","","0.0952","0.0996","","","","","","1.002","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568019","11.8512","0.0012","16.2294","0.0016","19.309","0.002","78.447","0.003","75.155","0.003","89.692","0.003","3513","0.6","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H67 N11 O18 Y2 -","- C75 H67 N11 O18 Y2 -","- C150 H134 N22 O36 Y4 -","2","1","","Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai","Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs","Chemical Science","2022","","","","","10.1039/D2SC05143E","","","0.71073","MoKα","","0.0986","0.0567","","","0.1239","0.1439","","","","","","1.026","","","","has coordinates","279583","2022-11-27","23:10:33",""
"1568020","17.7478","0.0001","17.7478","0.0001","25.9278","0.0002","90","","90","","90","","8166.85","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C30 H15 F2 N3 O6.62 Y1.5 -","- C30 H15 F2 N3 O6.625 Y1.5 -","- C240 H120 F16 N24 O53 Y12 -","8","0.5","","Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai","Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs","Chemical Science","2022","","","","","10.1039/D2SC05143E","","x-ray","1.54184","CuKα","","0.0661","0.0653","","","0.1453","0.1457","","","","","","1.094","","","","has coordinates,has disorder","279583","2022-11-27","23:10:34",""
"1568034","9.7229","0.0006","11.8712","0.0008","15.4592","0.001","90","","90","","90","","1784.3","0.2","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Br F4 N4 O -","- C17 H16 B Br F4 N4 O -","- C68 H64 B4 Br4 F16 N16 O4 -","4","1","","Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D.","Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes.","Chemical science","2022","14","1","162","170","10.1039/d2sc05704b","","","0.71075","MoKα","","0.0482","0.0301","","","0.0587","0.0626","","","","","","0.973","","","","has coordinates","281337","2023-03-04","17:46:09",""
"1568035","10.965","0.0007","11.6978","0.0007","13.6443","0.0009","111.74","0.003","101.903","0.003","90.098","0.003","1584.79","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","1","0.5","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0647","0.0477","","","0.1272","0.1428","","","","","","1.092","","","","has coordinates","283152","2023-05-05","00:55:06",""
"1568036","8.0671","0.0002","15.0932","0.0004","22.4852","0.0006","90","","90","","90","","2737.76","0.12","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 Si -","- C13 H22 O2 Si -","- C104 H176 O16 Si8 -","8","1","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0667","0.0444","","","0.1069","0.1205","","","","","","1.082","","","","has coordinates","283152","2023-05-05","00:55:09",""
"1568037","12.9559","0.0007","10.4977","0.0006","28.982","0.002","90","","95.735","0.002","90","","3922","0.4","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","WLG-EA-494-02","","","- C16 H22 O3 Si2 -","- C16 H22 O3 Si2 -","- C128 H176 O24 Si16 -","8","2","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0634","0.053","","","0.1353","0.1426","","","","","","1.054","","","","has coordinates","283152","2023-05-05","00:55:11",""
"1568038","26.91","0.006","6.4608","0.0015","9.318","0.002","90","","94.442","0.003","90","","1615.2","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(pyren-1-yl)-5-(trifluoromethyl)pyridine","","- C22 H12 F3 N -","- C22 H12 F3 N -","- C88 H48 F12 N4 -","4","1","","Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan","The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy.","Analytical methods : advancing methods and applications","2022","14","48","5081","5090","10.1039/d2ay01780f","","","0.71073","MoKα","","0.0773","0.0566","","","0.1494","0.1598","","","","","","1.088","","","","has coordinates","280153","2023-01-06","09:25:12",""
"1568039","17.626","0.003","7.6841","0.0013","11.574","0.002","90","","100.988","0.002","90","","1538.8","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(pyren-1-yl)-5-methylpyridine","","- C22 H15 N -","- C22 H15 N -","- C88 H60 N4 -","4","1","","Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan","The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy.","Analytical methods : advancing methods and applications","2022","14","48","5081","5090","10.1039/d2ay01780f","","","0.71073","MoKα","","0.0791","0.0468","","","0.1103","0.1234","","","","","","1.023","","","","has coordinates","280153","2023-01-06","09:25:13",""
"1568040","15.6935","0.0012","17.9065","0.0014","25.3093","0.0016","102.029","0.006","94.298","0.006","105.192","0.007","6649.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C312 H267 Cl9 F12 N26 O18 -","2","1","","Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo","Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages.","Chemical science","2022","14","1","186","195","10.1039/d2sc05311j","","","0.71075","MoKα","","0.2282","0.1279","","","0.2844","0.3425","","","","","","1.043","","","","has coordinates,has disorder","281336","2023-03-04","17:46:01",""
"1568043","21.6934","0.0003","23.8539","0.0003","34.402","0.0005","96.755","0.001","100.906","0.001","100.248","0.001","16989.5","0.4","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C333 H398 Ag30 B3 Cl33 N4 P8 Pt S14 -","- C324 H380 Ag30 B3 Cl15 N4 P8 Pt S14 -","- C648 H760 Ag60 B6 Cl30 N8 P16 Pt2 S28 -","2","1","","Wang, Silan; Li, Qinzhen; Yang, Sha; Yu, Haizhu; Chai, Jinsong; Zhu, Manzhou","H-bond-induced luminescence enhancement in a Pt<sub>1</sub>Ag<sub>30</sub> nanocluster and its application in methanol detection.","Nanoscale","2022","14","44","16647","16654","10.1039/d2nr03387a","","","1.54186","CuKα","","0.0777","0.0613","","","0.1672","0.1779","","","","","","1.025","","","","has coordinates,has disorder","279720","2022-12-06","05:46:29",""
"1568060","11.715","0.006","7.738","0.004","19.834","0.009","90","","95.723","0.01","90","","1789","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F3 N6 O2 S -","- C16 H15 F3 N6 O2 S -","- C64 H60 F12 N24 O8 S4 -","4","1","","Hu, Wei; Zhang, Xiang; Liu, Yuanchang; Liu, Teng; Wen, Jiale; Peng, Xiaopeng; Xie, Xin; Chen, Weiming","Two-stage one-pot synthetic strategy for the key triazone-triazole intermediate of ensitrelvir (S-217622), an oral clinical candidate for treating COVID-19","RSC Advances","2022","12","54","34808","34814","10.1039/D2RA06841A","","","0.71073","MoKα","","0.16","0.0593","","","0.1132","0.1501","","","","","","1.056","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1568074","34.3683","0.0007","28.4432","0.0005","5.4447","0.0001","90","","90","","90","","5322.44","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H58 F16 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","synchrotron","","0.0777","0.0612","","","0.1794","0.1926","","","","","","1.03","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568075","13.6071","0.0003","14.6029","0.0003","15.3344","0.0003","97.914","0.002","98.988","0.002","110.147","0.002","2764.52","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 F16 O2 S8 -","- C48 H16 F16 S8 -","- C96 H32 F32 S16 -","2","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.1338","0.1245","","","0.3507","0.3658","","","","","","1.633","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568076","9.5286","0.0002","10.3554","0.0002","14.25","0.0004","75.54","0.002","89.177","0.002","73.34","0.002","1301.9","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0801","0.0486","","","0.1263","0.137","","","","","","1.016","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568077","19.8473","0.0002","19.8473","0.0002","13.1934","0.0001","90","","90","","90","","5197.08","0.08","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H30 F16 N2 O2 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0635","0.0529","","","0.1436","0.149","","","","","","1.046","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568078","6.7916","0.0016","13.818","0.004","15.064","0.004","78.57","0.02","81.39","0.02","82.79","0.02","1363.3","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.2063","0.1755","","","0.4535","0.4768","","","","","","2.287","","","","has coordinates,has disorder","281335","2023-03-04","17:45:48",""
"1568079","5.89701","0.00012","32.2682","0.0003","16.4767","0.0003","90","","95.0947","0.0016","90","","3122.9","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 F16 N4 S8 -","- C68 H36 F16 N4 S8 -","- C136 H72 F32 N8 S16 -","2","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0782","0.0459","","","0.1295","0.139","","","","","","1.076","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568136","11.232","0.0016","11.232","0.0016","4.0301","0.0008","90","","90","","90","","508.43","0.14","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.39 O Se4 -","- Cu4 Na4.39 O Se4 -","- Cu8 Na8.78 O2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.051","0.0384","","","0.0856","0.0879","","","","","","0.884","","","","has coordinates","279962","2022-12-21","12:56:44",""
"1568137","15.772","0.003","4.0654","0.0008","20.828","0.004","90","","110.33","0.03","90","","1252.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu11.19 Na10.21 O2 Se10 -","- Cu11.192 Na10.2 O2 Se10 -","- Cu22.384 Na20.4 O4 Se20 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1279","0.0308","","","0.0496","0.0594","","","","","","0.492","","","","has coordinates","279963","2022-12-21","12:58:38",""
"1568138","15.714","0.003","4.0699","0.0008","11.643","0.002","90","","93.15","0.03","90","","743.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.7 Na5.3 O Se6 -","- Cu7.71 Na5.25 O Se6 -","- Cu15.42 Na10.5 O2 Se12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1167","0.0458","","","0.1011","0.1332","","","","","","0.742","","","","has coordinates","279964","2022-12-21","12:59:51",""
"1568139","10.9081","0.0015","10.9081","0.0015","3.886","0.0008","90","","90","","90","","462.38","0.13","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu4 Na4.55 O S4 -","- Cu4 Na4.54 O S4 -","- Cu8 Na9.08 O2 S8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0641","0.025","","","0.0274","0.0311","","","","","","0.485","","","","has coordinates","279965","2022-12-21","13:01:02",""
"1568140","3.936","0.0006","3.936","0.0006","22.003","0.004","90","","90","","120","","295.2","0.08","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu3 Na S2 -","- Cu3 Na S2 -","- Cu9 Na3 S6 -","3","0.0833333","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1067","0.0677","","","0.1626","0.169","","","","","","0.901","","","","has coordinates","279966","2022-12-21","13:04:43",""
"1568141","20.388","0.004","7.7841","0.0016","15.311","0.003","90","","110.9","0.03","90","","2270","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cu11.4 Na9.74 O2 S10 -","- Cu11.402 Na9.744 O2 S10 -","- Cu45.608 Na38.976 O8 S40 -","4","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.145","0.0317","","","0.071","0.1091","","","","","","0.507","","","","has coordinates","279967","2022-12-21","13:06:11",""
"1568142","15.278","0.003","3.9247","0.0008","11.324","0.002","90","","91.89","0.03","90","","678.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu7.43 Na5.34 O S6 -","- Cu7.42 Na5.3333 O S6 -","- Cu14.84 Na10.6666 O2 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.228","0.0711","","","0.1555","0.2104","","","","","","0.533","","","","has coordinates","279968","2022-12-21","13:07:37",""
"1568143","12.335","0.002","12.335","0.002","4.433","0.0008","90","","90","","90","","674.5","0.2","100","","100","","","","","","","","","4","I 4/m","-I 4","87","","","","- Cu3.52 K4.33 O0.88 Se4 -","- Cu3.508 K4.35 O0.86 Se4 -","- Cu7.016 K8.7 O1.72 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0489","0.0385","","","0.091","0.097","","","","","","1.143","","","","has coordinates","279969","2022-12-21","13:09:55",""
"1568144","7.0555","0.0014","4.0808","0.0008","7.9345","0.0016","90","","108.39","0.03","90","","216.78","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu2.78 Na0.84 Se2 -","- Cu2.78 Na0.83 Se2 -","- Cu5.56 Na1.66 Se4 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1577","0.1039","","","0.2562","0.2881","","","","","","0.938","","","","has coordinates","279970","2022-12-21","13:11:55",""
"1568145","3.9745","0.0006","3.9745","0.0006","6.548","0.0013","90","","90","","90","","103.44","0.03","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.59 Li0.42 Na S -","- Cu0.58 Li0.42 Na S -","- Cu1.16 Li0.84 Na2 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0968","0.0789","","","0.1923","0.1975","","","","","","1.123","","","","has coordinates,has disorder","279971","2022-12-21","13:13:37",""
"1568146","4.1307","0.0011","4.1307","0.0011","6.815","0.002","90","","90","","90","","116.28","0.06","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu0.65 Li0.35 Na Se -","- Cu0.62 Li0.38 Na Se -","- Cu1.24 Li0.76 Na2 Se2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0996","0.0646","","","0.143","0.1565","","","","","","0.646","","","","has coordinates,has disorder","279972","2022-12-21","16:02:01",""
"1568147","3.9191","0.0005","3.9191","0.0005","12.677","0.003","90","","90","","90","","194.71","0.06","293","2","293","2","","","","","","","","4","I 4 m m","I 4 -2","107","","","","- Ba Cu1.42 Li0.58 S2 -","- Ba Cu1.418 Li0.582 S2 -","- Ba2 Cu2.836 Li1.164 S4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0315","0.0278","","","0.0635","0.064","","","","","","1.059","","","","has coordinates,has disorder","279973","2022-12-21","16:03:39",""
"1568148","20.247","0.003","20.247","0.003","3.9958","0.0008","90","","90","","90","","1638","0.5","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba9 Cu13.46 Na4 O8 S12 -","- Ba18 Cu26.92 Na8 O16 S24 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0599","0.0215","","","0.0501","0.0529","","","","","","0.419","","","","has coordinates","279974","2022-12-21","16:04:47",""
"1568149","4.0442","0.0006","4.0442","0.0006","13.357","0.003","90","","90","","90","","218.46","0.07","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba0.44 Cu2.02 Rb0.56 Se2 -","- Ba0.44 Cu2 Rb0.56 Se2 -","- Ba0.88 Cu4 Rb1.12 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0469","0.0362","","","0.0838","0.0843","","","","","","0.831","","","","has coordinates,has disorder","279975","2022-12-21","16:07:35",""
"1568150","7.1315","0.0014","12.365","0.003","14.892","0.003","90","","99.15","0.03","90","","1296.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba1.89 Cu13.92 Na6 S12 -","- Ba1.893 Cu13.943 Na6 S12 -","- Ba3.786 Cu27.886 Na12 S24 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1356","0.0347","","","0.0689","0.077","","","","","","0.476","","","","has coordinates","279976","2022-12-21","16:08:52",""
"1568151","7.2499","0.0003","12.4798","0.0004","8.3691","0.0004","90","","106.647","0.001","90","","725.48","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0221","0.0209","","","0.0543","0.0553","","","","","","1.186","","","","has coordinates","279977","2022-12-21","16:10:11",""
"1568152","22.188","0.002","4.2597","0.0005","17.111","0.0018","90","","91.544","0.003","90","","1616.6","0.3","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ba2 Cu2 Na1.24 O1.25 S3 -","- Ba2 Cu2 Na1.234 O1.25 S3 -","- Ba16 Cu16 Na9.872 O10 S24 -","8","1","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0432","0.0315","","","0.0775","0.0804","","","","","","0.984","","","","has coordinates","279978","2022-12-21","16:11:58",""
"1568153","19.354","0.004","4.2315","0.0009","12.261","0.003","90","","90","","90","","1004.1","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba1.89 Cu5.56 O Se4 -","- Ba1.89 Cu5.476 O Se4 -","- Ba7.56 Cu21.904 O4 Se16 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1819","0.0413","","","0.0864","0.1077","","","","","","0.413","","","","has coordinates","279979","2022-12-21","16:13:02",""
"1568154","4.1491","0.0006","4.1491","0.0006","19.594","0.004","90","","90","","90","","337.31","0.1","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2.8 O2 Se2 -","- Ba2 Cu2.797 O2 Se2 -","- Ba4 Cu5.594 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0355","0.0293","","","0.0689","0.0695","","","","","","0.905","","","","has coordinates","279980","2022-12-21","16:14:45",""
"1568155","4.2049","0.0006","4.2049","0.0006","19.231","0.004","90","","90","","90","","340.03","0.1","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba2 Cu2 Na0.55 O2 Se2 -","- Ba4 Cu4 Na1.1 O4 Se4 -","2","0.0625","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0336","0.0226","","","0.0398","0.0403","","","","","","0.712","","","","has coordinates","279981","2022-12-21","16:15:58",""
"1568156","4.2047","0.0006","4.2047","0.0006","19.346","0.004","90","","90","","90","","342.03","0.1","293","2","293","2","","","","","","","","5","I 4 m m","I 4 -2","107","","","","- Ba1.59 Cu1.92 K0.41 O1.86 Se2 -","- Ba1.632 Cu2 K0.368 O1.94 Se2 -","- Ba3.264 Cu4 K0.736 O3.88 Se4 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.033","0.0239","","","0.0546","0.0552","","","","","","1.011","","","","has coordinates,has disorder","279982","2022-12-21","16:18:24",""
"1568157","4.0099","0.0006","4.0099","0.0006","16.532","0.003","90","","90","","90","","265.82","0.07","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ba2 Cu1.79 O3 S -","- Ba2 Cu1.79 O3 S -","- Ba4 Cu3.58 O6 S2 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.057","0.0456","","","0.1133","0.1147","","","","","","0.959","","","","has coordinates","279983","2022-12-21","16:19:31",""
"1568158","7.483","0.0002","16.0919","0.0004","4.1041","0.0001","90","","90","","90","","494.2","0.02","100","","100","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Ba0.63 Cu1.83 K0.87 S0.9 Se1.1 -","- Ba0.634 Cu1.828 K0.866 S0.906 Se1.094 -","- Ba2.536 Cu7.312 K3.464 S3.624 Se4.376 -","4","0.5","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Sychrotron","","0.0431","0.0385","","","0.1191","0.1226","","","","","","1.143","","","","has coordinates,has disorder","279984","2022-12-21","16:21:17",""
"1568159","12.9183","0.0018","12.9183","0.0018","4.0117","0.0008","90","","90","","90","","669.48","0.19","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cu10 K2 Se6 -","- Cu10 K2 Se6 -","- Cu20 K4 Se12 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.0803","0.0308","","","0.0555","0.062","","","","","","0.577","","","","has coordinates","279985","2022-12-21","16:22:25",""
"1568160","10.561","0.0015","10.561","0.0015","3.974","0.0008","90","","90","","90","","443.24","0.13","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Cu6.09 Rb Se4 -","- Cu6.064 Rb Se4 -","- Cu12.128 Rb2 Se8 -","2","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.2478","0.0586","","","0.0815","0.0999","","","","","","0.441","","","","has coordinates","279986","2022-12-21","16:24:02",""
"1568161","12.1735","0.0002","12.1735","0.0002","12.1735","0.0002","90","","90","","90","","1804.04","0.05","273","2","273.15","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba4 Cu12 Rb6 Se13 -","- Ba4 Cu12 Rb6 Se13 -","- Ba8 Cu24 Rb12 Se26 -","2","0.0416667","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0257","0.0236","","","0.0614","0.0627","","","","","","1.172","","","","has coordinates","279987","2022-12-21","16:28:02",""
"1568162","7.417","0.0015","15.192","0.003","3.9244","0.0008","90","","90","","90","","442.2","0.15","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Cu7.66 Na6 Se8 -","- Cu7.656 Na6 Se8 -","- Cu7.656 Na6 Se8 -","1","0.125","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.71073","MoKα","","0.1204","0.0378","","","0.051","0.0576","","","","","","0.465","","","","has coordinates","279988","2022-12-21","16:28:57",""
"1568163","7.2523","0.0002","12.4863","0.0003","8.3687","0.0002","90","","106.661","0.001","90","","726.01","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Cu7 K3 S6 -","- Ba Cu7 K3 S6 -","- Ba2 Cu14 K6 S12 -","2","0.25","","Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.","Discovery of chalcogenides structures and compositions using mixed fluxes","Nature","2022","612","7938","72","77","10.1038/s41586-022-05307-7","","","0.41328","Synchrotron","","0.0182","0.0177","","","0.044","0.0449","","","","","","1.082","","","","has coordinates","279989","2022-12-21","16:30:23",""
"1568223","5.7156","0.0005","5.7156","0.0005","10.074","0.002","90","","90","","90","","329.1","0.08","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Mg P2 Si -","- Mg P2 Si -","- Mg4 P8 Si4 -","4","0.25","","Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning","Uncovering a Vital Band Gap Mechanism of Pnictides.","Advanced science (Weinheim, Baden-Wurttemberg, Germany)","2022","9","14","e2105787","","10.1002/advs.202105787","","","1.3414","GaKα","","0.033","0.0328","","","0.0862","0.0866","","","","","","1.212","","","","has coordinates","280126","2023-01-05","16:31:22",""
"1568330","23.7976","","13.7337","","8.41344","","90","","90","","89.6583","","2749.71","","313.15","","313.15","","","","","","","","","4","P 1 1 2","P 2","3","","","","- Al24 H72 O132 P24 -","- Al24 O132 P24 -","- Al24 O132 P24 -","1","0.5","","Kolokathis, Panagiotis D.; Nonnen, Thomas; Füldner, Gerrit; Papadopoulos, George K.","Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics","Microporous and Mesoporous Materials","2022","329","","111501","","10.1016/j.micromeso.2021.111501","powder diffraction","x-rays","1.5406","","","","","","","","","","","","","","","","","","has coordinates","280629","2023-01-27","01:18:26",""
"1568977","9.20152","0.000018","5.265935","0.00001","13.54116","0.00002","90","","90.0661","0.0001","90","","656.131","0.002","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Co Na O P Sr -","- Co4 Na8 O32 P8 Sr4 -","- Co4 Na8 O32 P8 Sr4 -","1","0.25","","Bader, Vera P.; Langmann, Jan; Gegenwart, Philipp; Tsirlin, Alexander A.","Deformation of the triangular spin-1/2 lattice in Na2SrCo(PO4)2","Physical Review B","2022","106","5","054415-1","","10.1103/PhysRevB.106.054415","powder diffraction","x-ray","0.35424","","","","","","","","","","","","","","","","","","has coordinates","282880","2023-04-27","08:40:49",""
"1569287","10.1109","0.0001","10.1109","0.0001","10.1109","0.0001","90","","90","","90","","1033.64","0.018","","","293","","","","100","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Y2Ti2O6O","","oxyyttrobetafite-(Y)","- O7 Ti2 Y2 -","- Dy0.242 O7 Ta0.014 Ti1.986 Y1.758 -","- Dy1.936 O56 Ta0.112 Ti15.888 Y14.064 -","8","0.0416667","","Nishio-Hamae, D.; Momma, K.; Ohnishi, M.; Inaba, S.","Oxyyttrobetafite-(Y), Y2Ti2O6O, a new mineral of the pyrochlore supergroup in a pegmatite from Souri Valley, Komono, Mie Prefecture Japan","Journal of Mineralogical and Petrological Sciences","2022","","","1","6","10.2465/jmps.220728","","","","","","","","","","","","","","","","","","","","","has coordinates","284439","2023-06-11","23:08:35",""
"1570298","6.666","0.0002","6.722","0.0002","6.7374","0.0002","65.113","0.0018","87.7634","0.0016","85.0755","0.0017","272.849","0.015","294","","294","2","","","1000","","","","","3","P -1","-P 1","2","Calcium pyrophosphate","dicalcium phosphonato phosphate","gamma-Ca2P2O7","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca4 O14 P4 -","2","1","","Sauskojus, Wolfgang; Wied, Jan K.; Litterscheid, Christian F.; Mangstl, Martin; Schmedt auf der Günne, Jörn","Crystal Structure of γ‐Ca2P2O7","Zeitschrift für anorganische und allgemeine Chemie","2022","648","21","","","10.1002/zaac.202200196","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.9927","1.3569","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1571164","9.5838","0.0003","9.5838","0.0003","23.227","0.0008","90","","90","","120","","1847.56","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","CT5016","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","0.71073","MoKα","","0.0705","0.0415","","","0.0652","0.074","","","","","","1.08","","","","has coordinates,has disorder","290375","2024-03-07","03:07:04",""
"1571165","16.0425","0.0001","16.0425","0.0001","7.9666","0.0007","90","","90","","120","","1775.61","0.16","299","2","299","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","dabco hydronium tri-bromide","(1,4-diazabicyclo[2.2.2]octane) hydronium tri-bromide","","- C6 H17 Br3 N2 O -","- C6 H17 Br3 N2 O -","- C36 H102 Br18 N12 O6 -","6","1","","Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej","Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.","IUCrJ","2022","9","Pt 5","544","550","10.1107/S2052252522006406","","x-ray","1.54184","CuKα","","0.0319","0.0287","","","0.0782","0.0814","","","","","","1.053","","","","has coordinates,has disorder","290375","2024-03-07","03:07:15",""
"2022485","11.6652","0.0007","20.9692","0.0015","11.0438","0.0008","90","","113.609","0.002","90","","2475.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]","","- C27 H18 Co N2 O8 -","- C27 H18 Co N2 O8 -","- C108 H72 Co4 N8 O32 -","4","1","EF3025","Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun","Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621012973","","","0.71073","MoKα","","0.17","0.0723","","","0.1447","0.1799","","","","","","1.02","","","","has coordinates,has Fobs","271339","2021-12-11","02:44:18",""
"2022486","11.6277","0.0008","20.8495","0.0014","11.0075","0.0009","90","","113.689","0.002","90","","2443.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]","","- C27 H18 N2 Ni O8 -","- C27 H18 N2 Ni O8 -","- C108 H72 N8 Ni4 O32 -","4","1","EF3025","Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun","Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621012973","","","0.71073","MoKα","","0.1464","0.0694","","","0.1313","0.1574","","","","","","1.025","","","","has coordinates,has Fobs","271339","2021-12-11","02:44:20",""
"2022487","7.2214","0.0002","6.6059","0.0003","25.962","0.0009","90","","94.233","0.003","90","","1235.11","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Formylpyridine 4-phenylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Phenyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamide","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0667","0.0486","","","0.1237","0.1397","","","","","","1.034","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:14",""
"2022488","15.8897","0.0003","10.9845","0.0002","16.8393","0.0003","90","","90","","90","","2939.14","0.09","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzoylpyridine 4-ethylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Ethyl-2-[phenyl(pyridin-4-yl)methylidene]hydrazine-1-carbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C120 H128 N32 S8 -","8","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0557","0.0403","","","0.1012","0.1102","","","","","","1.037","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:26",""
"2022489","18.7299","0.0009","11.1592","0.0002","21.6646","0.0007","90","","96.296","0.004","90","","4500.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chlorido(3-formylpyridine 4-phenylthiosemicarbazone-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) acetonitrile monosolvate","Chlorido[(<i>E</i>)-<i>N</i>-phenyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamide-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetonitrile monosolvate","","- C51 H45 Cl Cu N5 P2 S -","- C51 H45 Cl Cu N5 P2 S -","- C204 H180 Cl4 Cu4 N20 P8 S4 -","4","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","","0.71073","MoKα","","0.1813","0.115","","","0.1976","0.2315","","","","","","1.174","","","","has coordinates,has disorder,has Fobs","271558","2021-12-21","02:59:31",""
"2022490","7.6398","0.0006","14.393","0.0008","9.7339","0.0007","90","","107.823","0.008","90","","1018.97","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-formylpyridine 4-ethylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)","Bis[(<i>Z</i>)-<i>N</i>-ethyl-2-(pyridin-3-ylmethylidene)hydrazine-1-carbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II)","","- C18 H22 N8 Ni S2 -","- C18 H22 N8 Ni S2 -","- C36 H44 N16 Ni2 S4 -","2","0.5","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.056","0.0395","","","0.0855","0.0952","","","","","","1.05","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:37",""
"2022491","21.507","0.004","21.507","0.004","13.434","0.004","90","","90","","90","","6214","2","100","2","100","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","2,2''-({[(1<i>E</i>,1'<i>E</i>)-(Diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","","- C70 H70 N8 O4 Se2 -","- C70 H70 N8 O4 Se2 -","- C280 H280 N32 O16 Se8 -","4","0.5","ZL5020","Malla, Manzoor Ahmad; Bansal, Ravi; Butcher, Ray J.; Gupta, Sushil K.","Crystal structure, Hirshfeld surface analysis and DFT study of 2,2''-({[(1<i>E</i>,1'<i>E</i>)-(diselanediyl)bis(2,1-phenylene)]bis(methaneylylidene)}bis(azaneylylidene))bis[3',6'-bis(diethylamino)-4a',9a'-dihydrospiro[isoindoline-1,9'-xanthen]-3-one]","Acta Crystallographica Section E","2022","78","1","1","7","10.1107/S2056989021013189","","","0.71073","MoKα","","0.0924","0.0699","","","0.134","0.1416","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","272813","2022-02-06","04:32:03",""
"2022492","17.0494","0.0009","6.9334","0.0003","15.241","0.001","90","","108.635","0.007","90","","1707.19","0.18","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[1-(4-Methylphenyl)-1-oxohexan-2-yl]pyrrolidin-1-ium chloride","","- C17 H26 Cl N O -","- C17 H26 Cl N O -","- C68 H104 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.0839","0.0499","","","0.1203","0.1426","","","","","","1.025","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:16",""
"2022493","14.0379","0.0013","10.3133","0.0005","11.4344","0.0007","90","","96.829","0.007","90","","1643.7","0.2","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methyl-1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride","","- C16 H24 Cl N O -","- C16 H24 Cl N O -","- C64 H96 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.12","0.0639","","","0.1682","0.2447","","","","","","1.081","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:17",""
"2022494","7.1747","0.0002","7.8832","0.0002","24.9469","0.0006","90","","93.765","0.002","90","","1407.94","0.06","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl[1-(4-methylphenyl)-1-oxopentan-2-yl]azanium chloride","","- C13 H20 Cl N O -","- C13 H20 Cl N O -","- C52 H80 Cl4 N4 O4 -","4","1","DG3025","Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim","Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)","Acta Crystallographica Section C","2022","78","1","","","10.1107/S2053229621013401","","","1.54184","CuKα","","0.0435","0.0424","","","0.1266","0.1279","","","","","","1.083","","","","has coordinates,has Fobs","271649","2021-12-30","02:37:17",""
"2022495","9.8459","0.0002","10.953","0.0002","12.6881","0.0003","90","","91.524","0.002","90","","1367.83","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitrobenzenesulfonamide–4-nitropyridine <i>N</i>-oxide (1/1)","","- C11 H10 N4 O7 S -","- C11 H10 N4 O7 S -","- C44 H40 N16 O28 S4 -","4","1","ZO3015","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals","Acta Crystallographica Section C","2022","78","1","7","13","10.1107/S2053229621012511","","","1.54184","CuKα","","0.0317","0.0302","","","0.0787","0.0802","","","","","","1.055","","","","has coordinates,has Fobs","271669","2022-01-01","04:31:28",""
"2022496","7.392","0.002","11.2356","0.0008","16.674","0.019","90","","101.33","0.05","90","","1357.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chlorobenzenesulfonamide–4-nitropyridine <i>N</i>-oxide (1/1)","","- C11 H10 Cl N3 O5 S -","- C11 H10 Cl N3 O5 S -","- C44 H40 Cl4 N12 O20 S4 -","4","1","ZO3015","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin","A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals","Acta Crystallographica Section C","2022","78","1","7","13","10.1107/S2053229621012511","","","0.71073","MoKα","","0.1201","0.0884","","","0.1707","0.1826","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","271669","2022-01-01","04:31:29",""
"2022512","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0744","0.0505","","","0.1008","0.1157","","","","","","1.1218","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022513","5.1153","0.0003","7.1849","0.0004","18.4639","0.0009","90","","96.817","0.002","90","","673.8","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutamic acid–pyroglutamic acid–water (1/1/1)","2-Aminopentanedioic acid–5-oxopyrrolidine-2-carboxylic acid–water (1/1/1)","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C20 H36 N4 O16 -","2","1","EF3024","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis","Acta Crystallographica Section C Structural Chemistry","2022","78","2","","","10.1107/S2053229621013607","","","0.71073","MoKα","","0.0684","0.0455","","","0.0864","0.0959","","","","","","0.849","","","","has coordinates,has Fobs","272038","2022-01-14","02:35:19",""
"2022514","23.5976","0.0006","11.8723","0.0003","22.2989","0.0006","90","","90","","90","","6247.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>cyclo</i>-Tetrakis(μ-2-methoxy-6-{[2-(pyridin-2-yl)hydrazin-1-ylidene]methyl}phenolato)tetranickel(II) tetrakis(perchlorate) acetonitrile monosolvate dihydrate","","- C54 H55 Cl4 N13 Ni4 O26 -","- C54 H55 Cl4 N13 Ni4 O26 -","- C216 H220 Cl16 N52 Ni16 O104 -","4","1","YY2002","Patel, R. N.; Patel, S. K.; Patel, A. K.; Patel, N.; Butcher, Ray J.","A tetranuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core","Acta Crystallographica Section E Crystallographic Communications","2022","78","2","","","10.1107/S2056989021012408","","","0.71073","MoKα","","0.0705","0.0476","","","0.1121","0.125","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","272054","2022-01-15","02:38:02",""
"2022515","14.1863","0.0004","7.4446","0.0002","18.338","0.0005","90","","90.3606","0.001","90","","1936.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trioxazolo[2^3^]metacyclophane","Trioxazolo[2^3^]metacyclophane","","- C27 H15 N3 O3 -","- C27 H15 N3 O3 -","- C108 H60 N12 O12 -","4","1","EQ3005","Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S.","Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000298","","","0.71073","MoKα","","0.0454","0.037","","","0.0864","0.0907","","","","","","1.072","","","","has coordinates,has Fobs","272122","2022-01-19","02:32:22",""
"2022516","9.3633","0.0003","14.2339","0.0005","17.7479","0.0005","90","","90","","90","","2365.37","0.13","108","","108","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bis(2,6-diisopropylphenyl) tellurone","","- C24 H34 O2 Te -","- C24 H34 O2 Te -","- C96 H136 O8 Te4 -","4","0.5","EQ3003","Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto","Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000353","","","0.71073","MoKα","","0.0365","0.0248","","","0.0505","0.0548","","","","","","1.1","","","","has coordinates","272123","2022-01-19","02:32:57",""
"2022517","11.9972","0.0007","12.8711","0.0007","13.0907","0.0008","62.528","0.002","82.929","0.002","77.21","0.002","1748.47","0.18","109","2","109","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(acetonitrile-κ<i>N</i>)bis(pentacyanocyclopentadienido-κ<i>N</i>)iron(II) acetonitrile disolvate","","- C31.6 H17.4 Fe N15.8 -","- C31.6 H17.4 Fe N15.8 -","- C63.2 H34.8 Fe2 N31.6 -","2","1","EQ3004","Sünkel, Karlheinz; Blockhaus, Tobias","Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of <i>cis</i>-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe]","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000365","","","0.71073","MoKα","","0.0961","0.0639","","","0.1477","0.1627","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","272199","2022-01-22","02:28:43",""
"2022518","5.4591","0.0003","9.6001","0.0004","25.0301","0.0015","90","","90","","90","","1311.78","0.12","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0724","0.0484","","","0.084","0.0942","","","","","","1.007","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:09",""
"2022519","5.1311","0.0003","9.1135","0.0006","28.4","0.003","90","","90","","90","","1328.05","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0675","0.057","","","0.0904","0.0985","","","","","","1.143","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022520","14.0829","0.0005","7.749","0.0002","14.6419","0.0005","90","","116.329","0.005","90","","1432.09","0.1","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,3-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","","0.7107","MoKα","","0.0346","0.0298","","","0.0791","0.0813","","","","","","1.068","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022521","18.4026","0.0002","10.90882","0.00015","7.37881","0.00009","90","","90","","90","","1481.3","0.03","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","2,5-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,5-Diethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.022","0.0217","","","0.0594","0.0596","","","","","","1.047","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022522","7.22965","0.00006","37.4539","0.0003","10.85314","0.0001","90","","90.0541","0.0007","90","","2938.8","0.04","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3,5-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C136 H144 O16 S8 -","8","2","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","1.54184","CuKα","","0.0409","0.0401","","","0.0999","0.1005","","","","","","1.05","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022523","5.4341","0.0002","13.322","0.0005","20.9587","0.0012","90","","90","","90","","1517.26","0.12","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0738","0.0481","","","0.0821","0.0915","","","","","","1.036","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022524","5.3187","0.0003","8.3866","0.0007","36.019","0.002","90","","90","","90","","1606.66","0.18","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,5-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4,5-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","","0.7107","MoKα","","0.1218","0.0645","","","0.08","0.0948","","","","","","0.859","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022525","10.927","0.0004","7.2754","0.0003","40.2818","0.0019","90","","93.094","0.004","90","","3197.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,4,5-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3,4,5-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C144 H160 O24 S8 -","8","2","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0649","0.047","","","0.1053","0.1148","","","","","","1.078","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022526","12.252","0.0005","7.0563","0.00019","19.1866","0.0006","90","","100.261","0.003","90","","1632.22","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4,6-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0593","0.0411","","","0.0959","0.1032","","","","","","1.025","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022527","13.88124","0.00012","15.36081","0.00004","5.59335","0.00002","90","","94.9763","0.0004","90","","1188.16","0.012","","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","cynarine monohydrate","1,3-Bis{[(<i>E</i>)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylic acid monohydrate","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","powder diffraction","x-ray","0.45815","synchrotron","","","","","","0.07197","","","","1.226","","","","","","","has coordinates,has Fobs","272244","2022-01-26","02:54:21",""
"2022528","13.8811","","15.3608","","5.5934","","90","","94.98","","90","","1188.15","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H26 O13 -","- C25 H26 O13 -","- C50 H52 O26 -","2","1","CU3179","Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N.","Cynarine monohydrate from synchrotron powder X-ray diffraction data","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000687","","","","","","","","","","","","","","","","","","","","","has coordinates","272244","2022-01-26","02:54:24",""
"2022529","9.8671","0.0007","10.6765","0.0008","11.8719","0.0008","85.77","0.002","86.907","0.002","63.586","0.002","1116.73","0.14","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[(3-Acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","2","LF3125","Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua","Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000924","","","0.71073","MoKα","","0.0471","0.031","","","0.0674","0.0737","","","","","","0.998","","","","has coordinates,has Fobs","272309","2022-01-28","02:36:12",""
"2022530","8.03","0.0005","10.1184","0.001","14.4723","0.0014","87.217","0.008","89.232","0.007","83.518","0.007","1166.95","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-1:2κ^4^<i>O</i>:<i>O</i>'-(μ-2-acetyl-6-{[(<i>Z</i>)-2-bromo-3-oxoprop-1-en-1-yl]azanidyl}phenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^6^)(<i>N</i>,<i>N</i>-dimethyl-acetamide-1κ<i>O</i>)dizinc(II)","","- C19 H23 Br N2 O8 Zn2 -","- C19 H23 Br N2 O8 Zn2 -","- C38 H46 Br2 N4 O16 Zn4 -","2","1","LF3125","Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua","Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000924","","","0.71073","MoKα","","0.0632","0.0387","","","0.079","0.0939","","","","","","1.007","","","","has coordinates,has Fobs","272309","2022-01-28","02:36:23",""
"2022531","17.9185","0.0007","18.0874","0.0008","26.5146","0.0011","90","","90","","90","","8593.4","0.6","296","","305.34","0.1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Poly[dimethylazanium [bis(μ-pyridine-2,5-dicarboxylato)gadolinium(III)]]","","- C16 H13 Gd N3 O8 -","- C16 H13 Gd N3 O8 -","- C256 H208 Gd16 N48 O128 -","16","0.5","DG3024","Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat","A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000419","","x-ray","0.71073","MoKα","","0.019","0.0175","","","0.0437","0.0445","","","","","","1.06","","","","has coordinates,has Fobs","272310","2022-01-28","02:36:56",""
"2022532","18.4889","0.0014","10.9722","0.0008","19.1517","0.0014","90","","94.035","0.002","90","","3875.6","0.5","105","2","105.32","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6,6'-{[(Cyclohexane-1,2-diyl)bis(azanediyl)]bis(methylene)}bis(2,4-di-<i>tert</i>-butylphenolato))dioxidomolybdenum(VI) methanol disolvate","","- C38 H64 Mo N2 O6 -","- C38 H64 Mo N2 O6 -","- C152 H256 Mo4 N8 O24 -","4","1","TX2046","Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex","Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones","Acta Crystallographica Section E Crystallographic Communications","2022","78","3","","","10.1107/S2056989022000524","","","0.71073","MoKα","","0.0311","0.0278","","","0.0683","0.0702","","","","","","1.066","","","","has coordinates,has Fobs","272410","2022-02-02","02:59:41",""
"2022533","9.601","","12.86","","21.428","","91.44","","91.49","","93.22","","2639.68","","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","Dioxido{2,2'-[l,2-phenylenebis(iminomethylene)]bis(phenolato)}molybdenum(VI) dimethylformamide disolvate","","- C26 H32 Mo N4 O6 -","- C26 H32 Mo N4 O6 -","- C104 H128 Mo4 N16 O24 -","4","2","","Trieu-Tran, Tristhan; Martinez, Stephenie N.; Brannon, Jacob P.; Stieber, S. Chantal E.; John, Alex","Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclohexyl backbones","Acta Crystallographica Section E Crystallographic Communications","2022","78","3","","","10.1107/S2056989022000524","","","0.71073","MoKα","","0.0533","0.0354","","","0.0618","0.0649","","","","","","1.058","","","","has coordinates","272410","2022-02-02","02:59:42",""
"2022534","14.3402","0.0014","14.2577","0.0012","13.1777","0.0013","90","","90","","90","","2694.3","0.4","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","Chlorido(3,9-dimethylundeca-3,8-diene-2,10-dione 10-oxime 2-oximato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II)","","- C11 H19 Cl N4 Ni O2 -","- C11 H19 Cl N4 Ni O2 -","- C88 H152 Cl8 N32 Ni8 O16 -","8","0.5","ZO3017","Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A.","Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction","Acta Crystallographica Section C Structural Chemistry","2022","78","3","","","10.1107/S2053229622000973","","","0.71073","MoKα","","0.0523","0.0357","","","0.0713","0.0799","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","272866","2022-02-09","02:47:36",""
"2022535","10.985","0.002","17.243","0.004","18.532","0.004","90","","101.014","0.003","90","","3445.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(μ-~3~η^4^:η^6^:η^4^-naphthalene)tetrakis(tetrahydrofuran)dipotassiumvanadium]","","- C36 H48 K2 O4 V -","- C36 H48 K2 O4 V -","- C144 H192 K8 O16 V4 -","4","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0858","0.0474","","","0.1061","0.12","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:35",""
"2022536","10.3028","0.0011","8.6409","0.0009","14.5778","0.0015","90","","108.835","0.002","90","","1228.3","0.2","173","2","173","2","","","","","","","","7","P 1 2 1","P 2y","3","([2.2.2]Cryptand)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(η^4^-naphthalene)vanadium tetrahydrofuran","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium [1,2-bis(dimethylphosphanyl)ethane]bis(naphthalene)vanadium tetrahydrofuran","","- C48 H76 K N2 O7 P2 V -","- C48 H76 K N2 O7 P2 V -","- C48 H76 K N2 O7 P2 V -","1","0.5","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0637","0.0404","","","0.0796","0.0888","","","","","","1.043","","","","has coordinates,has Fobs","272899","2022-02-10","02:57:40",""
"2022537","9.1729","0.0016","9.3501","0.0016","27.928","0.005","89.695","0.003","88.67","0.003","83.918","0.004","2381.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium [(η^4^-anthracene)(tetrahydrofuran)vanadium]-μ-η^4^:η^2^-anthracene-[(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium]-μ-η^2^:η^4^-anthracene-[(η^4^-anthracene)(tetrahydrofuran)vanadium] tetrahydrofuran disolvate","","- C104 H136 K2 O18 V2 -","- C104 H136 K2 O18 V2 -","- C104 H136 K2 O18 V2 -","1","0.5","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.1245","0.0534","","","0.0977","0.1222","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022538","9.6431","0.0012","14.4883","0.0018","20.804","0.003","74.992","0.002","84.667","0.002","71.815","0.002","2667","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(18-Crown-6)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate","(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium bis(η^4^-anthracene)(trimethylphosphane)vanadium tetrahydrofuran monosolvate","","- C55 H77 K O9 P V -","- C55.004 H77.008 K O9.001 P V -","- C110.008 H154.016 K2 O18.002 P2 V2 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0849","0.0537","","","0.1068","0.1175","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022539","12.4421","0.0007","13.9771","0.0008","15.1934","0.0009","97.35","0.001","93.436","0.001","101.178","0.001","2561","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(1,2-dimethoxyethane)potassium bis(η^4^-anthracene)[1,2-bis(dimethylphosphanyl)ethane]vanadium","","- C50 H76 K O8 P2 V -","- C50 H76 K O8 P2 V -","- C100 H152 K2 O16 P4 V2 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0523","0.0344","","","0.0826","0.0932","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:43",""
"2022540","10.9951","0.0016","12.0777","0.0018","13.502","0.002","78.594","0.003","68.517","0.003","78.738","0.003","1620.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(μ~3~-η^6^:η^6^:η^6^-Anthracene)(μ~2~-η^6^:η^6^-anthracene)tris(tetrahydrofuran)sodiumdivanadium","","- C40 H44 Na O3 V2 -","- C40 H44 Na O3 V2 -","- C80 H88 Na2 O6 V4 -","2","1","ZO3016","Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.","Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001255","","","0.71073","MoKα","","0.0882","0.0438","","","0.099","0.1188","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","272899","2022-02-10","02:57:44",""
"2022541","22.27","0.02","22.27","0.02","22.27","0.02","90","","90","","90","","11045","17","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","Poly[[bis(μ~3~-benzene-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(2-methylimidazol-1-yl)benzene]tricopper(II)] hexahydrate]","","- C54 H42 Cu3 N12 O12 -","- C54 H42 Cu3 N12 O12 -","- C432 H336 Cu24 N96 O96 -","8","0.166667","OV3157","Chen, Hui-Ru","Synthesis, crystal structure and photocatalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001322","","","0.71073","MoKα","","0.0648","0.0456","","","0.0814","0.0864","","","","","","0.975","","","","has coordinates","272900","2022-02-10","02:58:36",""
"2022542","5.3043","0.0004","11.1405","0.0008","22.6067","0.0018","90","","90","","90","","1335.89","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Furylimidazolo-2'-deoxycytidine","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","CU3177","Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank","8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001000","","","1.54178","CuKα","","0.0914","0.0527","","","0.1231","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","272901","2022-02-10","02:59:02",""
"2022543","8.697","0.004","9.203","0.004","15.916","0.006","75.369","0.008","82.049","0.008","89.151","0.008","1220.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","9,10,20,21-Tetrahydro-5,14-(ethanooxyethanooxyethano)dibenzo[<i>e</i>,<i>q</i>]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29,32-Hexaoxa-1,18-diazatetracyclo[16.8.8.0^2,7^.0^12,17^]tetratriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C26 H32 N2 O8 -","- C26 H32 N2 O8 -","- C52 H64 N4 O16 -","2","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.073","0.0554","","","0.1429","0.1551","","","","","","1.025","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:48",""
"2022544","16.208","0.008","14.849","0.008","18.052","0.009","90","","90","","90","","4345","4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9,10,20,21-Tetrahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29-Pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C192 H224 N16 O56 -","8","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0837","0.0583","","","0.142","0.1726","","","","","","1.033","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022545","7.6238","0.0007","23.318","0.002","12.655","0.0012","90","","100.677","0.0014","90","","2210.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","6,7,9,10,12,13,20,21-Octahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>]-[1,4,10,13,7,16]tetraoxadiazacyclooctadecine-23,27-dione","8,11,21,24,29-pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12,14,16-hexaene-27,31-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","2","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0412","0.037","","","0.0868","0.0891","","","","","","1.004","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022546","10.1813","0.0006","10.2237","0.0006","15.0154","0.0009","73.446","0.002","82.398","0.002","61.781","0.002","1320.11","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis[4,7-bis(cyanomethyl)-1-thia-4,7-diazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]silver(I) tetrafluoridoborate","","- C20 H32 Ag B F4 N8 S2 -","- C20 H32 Ag B F4 N8 S2 -","- C40 H64 Ag2 B2 F8 N16 S4 -","2","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.027","0.0231","","","0.0609","0.0624","","","","","","1.067","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:02",""
"2022547","8.4426","0.0006","8.5739","0.0006","11.8497","0.0008","96.585","0.001","99.023","0.001","95.313","0.001","836.19","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[4,7-Bis(2-cyanoethyl)-1-thia-4,7-diazacyclononane-\ κ^3^<i>N</i>,<i>N</i>',<i>S</i>](thiocyanato-κ<i>S</i>)silver(I)","","- C13 H20 Ag N5 S2 -","- C13 H20 Ag N5 S2 -","- C26 H40 Ag2 N10 S4 -","2","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.0228","0.0208","","","0.0546","0.0554","","","","","","1.055","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:03",""
"2022548","28.537","0.003","8.4362","0.0011","27.216","0.003","90","","119.94","0.009","90","","5677.7","1.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","μ-Thiocyanato-κ^2^<i>S</i>:<i>S</i>-bis{[7-(2-cyanoethyl)-1,4-dithia-7-azacyclononane-κ^3^<i>N</i>,<i>S</i>,<i>S</i>']silver(I)} tetrafluoridoborate","","- C19 H32 Ag2 B F4 N5 S5 -","- C19 H32 Ag2 B F4 N5 S5 -","- C152 H256 Ag16 B8 F32 N40 S40 -","8","1","KY3213","Blake, Alexander J.; Lippolis, Vito; Schroder, Martin","Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I)","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200105X","","","0.71073","MoKα","","0.0506","0.036","","","0.0661","0.0751","","","","","","1.145","","","","has coordinates,has Fobs","272961","2022-02-15","03:00:03",""
"2022549","10.4887","0.0004","6.9632","0.0002","19.8755","0.0007","90","","99.441","0.002","90","","1431.94","0.09","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","UM5054","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0995","0.0567","","","0.1379","0.188","","","","","","1.055","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:54",""
"2022550","10.416","0.0006","6.8137","0.0004","19.69","0.002","90","","99.691","0.006","90","","1377.49","0.18","295.3","","295.3","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0758","0.0367","","","0.0837","0.0998","","","","","","1.036","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022551","10.3807","0.0007","6.743","0.0005","19.605","0.003","90","","99.757","0.008","90","","1352.4","0.2","295.3","","295.3","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0725","0.0337","","","0.077","0.0921","","","","","","1.034","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022552","10.3374","0.0018","6.629","0.003","19.466","0.004","90","","99.78","0.008","90","","1314.6","0.7","299.7","","299.7","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.1377","0.0486","","","0.089","0.1093","","","","","","1.05","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022553","10.3045","0.0006","6.5805","0.0004","19.408","0.002","90","","99.823","0.006","90","","1296.74","0.17","270.8","","270.8","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0621","0.0317","","","0.0723","0.0851","","","","","","1.033","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022554","10.276","0.0005","6.5173","0.0003","19.3323","0.0019","90","","99.826","0.005","90","","1275.73","0.15","270.8","","270.8","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0586","0.0327","","","0.0774","0.0886","","","","","","1.081","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022555","10.2411","0.0011","6.4507","0.0006","19.247","0.004","90","","99.913","0.013","90","","1252.5","0.3","295.3","","295.3","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.1102","0.0461","","","0.0947","0.1225","","","","","","1.059","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022556","10.2225","0.0008","6.4019","0.0005","19.203","0.003","90","","99.864","0.008","90","","1238.1","0.2","290.5","","290.5","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0772","0.0392","","","0.0836","0.1015","","","","","","1.038","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:55",""
"2022557","10.1831","0.0009","6.3399","0.0005","19.111","0.004","90","","99.868","0.011","90","","1215.5","0.3","295.3","","295.3","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0922","0.0487","","","0.124","0.15","","","","","","1.042","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022558","10.1864","0.0008","6.3323","0.0005","19.118","0.003","90","","99.822","0.009","90","","1215.1","0.2","276.2","","276.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0821","0.0426","","","0.0948","0.1118","","","","","","1.053","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022559","10.1302","0.0004","6.2215","0.0003","18.955","0.0018","90","","99.899","0.005","90","","1176.85","0.13","295.3","","295.3","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0664","0.0361","","","0.082","0.0969","","","","","","1.035","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022560","10.0953","0.0004","6.1527","0.0003","18.8502","0.0018","90","","99.934","0.005","90","","1153.29","0.13","270.8","","270.8","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0725","0.0361","","","0.0794","0.0962","","","","","","1.07","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022561","10.0607","0.0006","6.0918","0.0004","18.733","0.003","90","","99.951","0.007","90","","1130.8","0.2","270.8","","270.8","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0637","0.0383","","","0.0909","0.1069","","","","","","1.108","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022562","10.0326","0.0006","6.0553","0.0004","18.571","0.003","90","","100.029","0.007","90","","1111","0.2","290.5","","290.5","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0621","0.0366","","","0.088","0.1024","","","","","","1.092","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022563","10.0002","0.0005","6.0842","0.0003","18.352","0.002","90","","100.026","0.006","90","","1099.54","0.14","276.2","","276.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0581","0.0332","","","0.075","0.086","","","","","","1.077","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022564","9.9832","0.0007","6.0752","0.0004","18.29","0.003","90","","100.005","0.009","90","","1092.4","0.2","276.2","","276.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0699","0.0403","","","0.0995","0.116","","","","","","1.088","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022565","9.9663","0.0007","6.0642","0.0004","18.252","0.003","90","","100.025","0.009","90","","1086.3","0.2","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","","Broadhurst, Edward T.; Wilson, Cameron J. G.; Zissimou, Georgia A.; Nudelman, Fabio; Constantinides, Christos P.; Koutentis, Panayiotis A.; Parsons, Simon","A first-order phase transition in Blatter's radical at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2022","78","2","","","10.1107/S2052520622000191","","x-ray","0.71073","MoKα","","0.0845","0.0496","","","0.12","0.14","","","","","","0.998","","","","has coordinates,has Fobs","272987","2022-02-16","02:56:56",""
"2022566","11.039","0.0004","6.7554","0.0002","15.6951","0.0004","90","","91.905","0.001","90","","1169.78","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Coumarin-3-carboxylic acid–thiourea (1/1)","2-Oxochromene-3-carboxylic acid–thiourea (1/1)","","- C11 H10 N2 O4 S -","- C11 H10 N2 O4 S -","- C44 H40 N8 O16 S4 -","4","1","OV3156","Shahbaz, Muhammad; Khan, Umair Ahmed; Chaudhary, M. Iqbal; Yousuf, Sammer","A new bioactive cocrystal of coumarin-3-carboxylic acid and thiourea: detailed structural features and biological activity studies","Acta Crystallographica Section C","2022","78","3","","","10.1107/S205322962200081X","","","1.54178","CuKα","","0.0447","0.0373","","","0.0962","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","273002","2022-02-17","03:00:00",""
"2022579","4.6003","0.0005","6.2969","0.0005","30.726","0.004","90","","90.886","0.009","90","","889.95","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-{[(1<i>E</i>,2<i>E</i>)-Ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","0.5","ZN2013","Yeşilbağ, Semanur; Çınar, Emine Berrin; Dege, Necmi; Ağar, Erbil; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of dimethyl 3,3′-{[(1E,2E)-ethane-1,2-diylidene]bis(azanylylidene)}bis(4-methylbenzoate)","Acta Crystallographica Section E Crystallographic Communications","2022","78","4","","","10.1107/S2056989022002092","","","0.71073","MoKα","","0.0567","0.0411","","","0.1166","0.1256","","","","","","1.061","","","","has coordinates,has Fobs","273205","2022-03-02","03:04:36",""
"2022580","8.606","0.005","12.153","0.008","13.562","0.008","77.48","0.012","74.393","0.012","72.198","0.012","1286.6","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(III) pentahydrate","","- C12 H34 Co2 N6 O17 -","- C12 H24 Co2 N6 O17 -","- C24 H48 Co4 N12 O34 -","2","1","EP3021","Gallagher, Megan K.; Baker, Jonathan; Black, Robert; Oliver, Allen G.; Lappin, A. Graham","An X-ray investigation of stereoselectivity in the interactions of [Co(en)3]3+ with [Co(ox)3]3− (en is ethane-1,2-diamine and ox is oxalate)","Acta Crystallographica Section C Structural Chemistry","2022","78","4","","","10.1107/S2053229622002194","","","0.71073","MoKα","","0.1427","0.0876","","","0.2098","0.2363","","","","","","1.028","","","","has coordinates,has Fobs","273446","2022-03-05","02:49:04",""
"2022581","11.0968","0.0005","12.8319","0.0006","13.3134","0.0006","111.703","0.002","108.028","0.002","93.125","0.002","1643.97","0.14","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","Hexakis(μ~2~-2-anilinobenzoato)diaquatrizinc(II)","","- C78 H64 N6 O14 Zn3 -","- C78 H64 N6 O14 Zn3 -","- C78 H64 N6 O14 Zn3 -","1","0.5","DV3015","Mbani O., Armel L.; Bonnand, Evan F.; Paboudam, Awawou G.; Brannon, Jacob P.; Gardner-Ricossa, Kevyn D.; Stieber, S. Chantal E.; Agwara, Moise O.","Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc complex with <i>N</i>-phenylanthranilic acid ligands","Acta Crystallographica Section C","2022","78","4","","","10.1107/S205322962200239X","","x-ray","0.71073","MoKα","","0.0389","0.0296","","","0.072","0.0776","","","","","","1.03","","","","has coordinates,has Fobs","273551","2022-03-09","02:49:12",""
"2022582","9.94703","0.00014","17.8262","0.0002","14.31","0.0002","90","","92.0063","0.0014","90","","2535.86","0.06","99.3","0.2","99.3","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan methanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate methanol monosolvate","","- C25 H30 N6 O4 -","- C25 H30 N6 O4 -","- C100 H120 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0556","0.0536","","","0.147","0.1489","","","","","","1.049","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:06",""
"2022583","9.7816","0.0003","18.3758","0.0005","14.1998","0.0004","90","","91.029","0.003","90","","2551.93","0.13","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan ethanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate ethanol monosolvate","","- C26 H32 N6 O4 -","- C26 H32 N6 O4 -","- C104 H128 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0634","0.0575","","","0.1586","0.164","","","","","","1.096","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022584","9.76826","0.00015","18.481","0.0003","14.42279","0.00019","90","","90.7205","0.0013","90","","2603.5","0.07","101.6","0.14","101.6","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan isopropanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate isopropanol monosolvate","","- C27 H34 N6 O4 -","- C27 H34 N6 O4 -","- C108 H136 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0464","0.0425","","","0.1109","0.1141","","","","","","1.024","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022585","9.77352","0.00014","19.3316","0.0003","14.3425","0.00017","90","","90.3045","0.0011","90","","2709.8","0.07","100.8","0.3","100.8","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan isobutanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate isobutanol monosolvate","","- C28 H36 N6 O4 -","- C28 H36 N6 O4 -","- C112 H144 N24 O16 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0467","0.0395","","","0.1024","0.1077","","","","","","1.034","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022586","10.25267","0.0001","19.21448","0.00019","14.29015","0.00017","90","","90.1353","0.001","90","","2815.15","0.05","101.5","0.3","101.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan 2-ethoxyethanol monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate 2-ethoxyethanol monosolvate","","- C28 H36 N6 O5 -","- C28 H36 N6 O5 -","- C112 H144 N24 O20 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0484","0.0448","","","0.1218","0.1248","","","","","","1.082","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022587","10.0422","0.0002","18.3553","0.0004","14.4134","0.0003","90","","91.5895","0.0017","90","","2655.77","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olmesartan chloroform monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate chloroform monosolvate","","- C25 H27 Cl3 N6 O3 -","- C25 H27 Cl3 N6 O3 -","- C100 H108 Cl12 N24 O12 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0702","0.0675","","","0.1845","0.1871","","","","","","1.066","","","","has coordinates,has Fobs","274017","2022-03-26","02:51:07",""
"2022588","9.92522","0.00007","17.86566","0.00012","14.34306","0.0001","90","","91.437","0.0006","90","","2542.52","0.03","109.9","0.2","109.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Olmesartan acetonitrile monosolvate","4-(2-Hydroxypropan-2-yl)-2-propyl-1-({4-[2-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1<i>H</i>-imidazol-3-ium-5-carboxylate acetonitrile monosolvate","","- C26 H29 N7 O3 -","- C26 H29 N7 O3 -","- C104 H116 N28 O12 -","4","1","DV3017","Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe","Structural studies of various olmesartan solvates","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622002984","","","1.54184","CuKα","","0.0528","0.0503","","","0.1307","0.1328","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","274017","2022-03-26","02:51:07",""
"2022589","26.461","0.0003","21.2115","0.0003","9.2552","0.0001","90","","90.044","0.001","90","","5194.73","0.11","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","15,16-Dibutyl-14,17-didodecyldithieno[2'',3'':2',3']indolo[6',7':4,5]pyrrolo[3,2-<i>e</i>:2',3'-<i>g</i>][2,1,3]benzothiadiazole","","- C58 H76 N6 S3 -","- C58 H76 N6 S3 -","- C232 H304 N24 S12 -","4","1","YP3223","Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang","Synthesis and properties of a novel decacyclic <i>S</i>,<i>N</i>-heteroacene","Acta Crystallographica Section C","2022","78","4","","","10.1107/S2053229622003291","","","1.54184","CuKα","","0.0496","0.0439","","","0.113","0.1167","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","274057","2022-03-29","01:42:25",""
"2022590","4.9935","0.0001","7.1864","0.0002","33.3673","0.0007","90","","90","","90","","1197.4","0.05","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-Asaronol, (<i>E</i>)-3'-hydroxyasarone","(<i>E</i>)-3-(2,4,5-Trimethoxyphenyl)prop-2-en-1-ol","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","DV3013","Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui","Synthesis, crystal structure and bioactivities of α-asaronol","Acta Crystallographica Section C Structural Chemistry","2022","78","5","","","10.1107/S2053229622003631","","x-ray","1.54178","CuKα","","0.0367","0.0363","","","0.1052","0.1057","","","","","","1.04","","","","has coordinates,has Fobs","274368","2022-04-06","02:03:56",""
"2022591","9.449","0.0007","9.449","0.0007","6.908","0.001","90","","90","","120","","534.14","0.1","298","","298","","","","","","","","","3","P 1","P 1","1","","","","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","- Ca10.974 O27.64 P6.012 -","1","1","CU3180","Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D.","Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003400","powder diffraction","","0.161669","Synchrotron","","","","","","","","","","0.194291","","","","","","","has coordinates","274369","2022-04-06","02:04:15",""
"2022592","10.0118","0.0008","11.8026","0.0008","13.6496","0.0008","65.234","0.006","73.354","0.006","78.437","0.006","1397.18","0.18","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2,7-Dihydroxynaphthalene–isoniazid (1/1)","Naphthalene-2,7-diol; pyridine-4-carbohydrazide","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","2","KY3216","González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor","Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003734","","","0.71073","MoKα","","0.0464","0.038","","","0.1067","0.1137","","","","","","1.003","","","","has coordinates","274468","2022-04-12","02:17:58",""
"2022593","13.6888","0.0008","11.037","0.0006","9.6269","0.0005","90","","90","","90","","1454.46","0.14","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,7-Dihydroxynaphthalene–piracetam (1/1)","Naphthalene-2,7-diol; 2-(2-oxopyrrolidin-1-yl)acetamide","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","KY3216","González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor","Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003734","","","0.71073","MoKα","","0.0443","0.0358","","","0.0756","0.0816","","","","","","1.07","","","","has coordinates","274468","2022-04-12","02:17:59",""
"2022594","5.13","0.0001","8.6729","0.0002","6.8473","0.0002","90","","97.104","0.003","90","","302.311","0.013","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium copper nickel phosphate","Sodium copper nickel diorthophosphate","","- Cu Na2 Ni O8 P2 -","- Cu Na2 Ni O8 P2 -","- Cu2 Na4 Ni2 O16 P4 -","2","0.5","OV3158","Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.","Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003692","","","0.71073","MoKα","","0.0303","0.024","","","0.0607","0.0649","","","","","","1.13","","","","has coordinates,has Fobs","274469","2022-04-12","02:18:36",""
"2022595","4.8292","0.0005","5.4051","0.0005","6.5968","0.0006","72.716","0.008","86.579","0.008","69.064","0.009","153.35","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Manganese copper phosphate","Dimanganese copper diorthophosphate","","- Cu Mn2 O8 P2 -","- Cu Mn2 O8 P2 -","- Cu Mn2 O8 P2 -","1","0.5","OV3158","Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V.","Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003692","","","0.71073","MoKα","","0.0409","0.0316","","","0.062","0.0675","","","","","","1.138","","","","has coordinates,has Fobs","274469","2022-04-12","02:18:37",""
"2022596","54.272","0.01","38.896","0.007","31.734","0.006","90","","112.145","0.004","90","","62048","2","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H588 Ce6 Mo124 N4 Na4 O664 -","- C24 H16 Ce6 Mo124 N4 Na4 O501 -","- C96 H64 Ce24 Mo496 N16 Na16 O2004 -","4","0.5","KY3215","Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette","Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O","Acta Crystallographica Section C","2022","78","5","","","10.1107/S2053229622003369","","x-ray","0.71073","MoKα","","0.1184","0.0832","","","0.2004","0.2335","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","274620","2022-04-21","01:52:17",""
"2022597","5.9097","0.0001","7.7974","0.0002","11.7206","0.0003","90","","97.816","0.001","90","","535.07","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[triaqua(μ~4~-<i>L</i>-tartrato)cerium(III)] chloride]","","- C4 H10 Ce Cl O9 -","- C4 H10 Ce Cl O9 -","- C8 H20 Ce2 Cl2 O18 -","2","1","WP3026","Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine","A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties","Acta Crystallographica Section C","2022","78","5","314","321","10.1107/S2053229622004302","","x-ray","0.71073","MoKα","","0.0195","0.0189","","","0.0425","0.0428","","","","","","1.044","","","","has coordinates","274713","2022-04-27","01:43:09",""
"2022598","9.3699","0.0002","15.3897","0.0004","16.0267","0.0004","92.6869","0.0009","105.154","0.0008","100.015","0.0007","2186.3","0.09","296","","296","","","","","","","","","8","P -1","-P 1","2","","<i>cis</i>-Aqua[2,6-bis(1,8-naphthyridin-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) hexafluoridophosphate–acetone–water (1/0.5/1)","","- C41.5 H35 F6 N6 O2.5 P2 Ru S -","- C41.5 H31 F6 N6 O2.5 P2 Ru S -","- C83 H62 F12 N12 O5 P4 Ru2 S2 -","2","1","WM5641","Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai","Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands","Acta Crystallographica Section E Crystallographic Communications","2022","78","6","","","10.1107/S2056989022004443","","","0.71075","MoKα","","0.0596","0.05","","","0.1589","0.1689","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","275187","2022-05-07","01:47:00",""
"2022599","12.6556","0.001","14.0986","0.0007","17.4421","0.0014","90","","108.535","0.003","90","","2950.7","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-[2,6-Bis(1,8-naphthyridin-2-yl)pyridine-κ^3^'<i>N</i>,<i>N</i>',<i>N</i>'']bis(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)ruthenium(II) thiocyanate","","- C33 H23 N9 Ru S2 -","- C33 H23 N9 Ru S2 -","- C132 H92 N36 Ru4 S8 -","4","1","WM5641","Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai","Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands","Acta Crystallographica Section E Crystallographic Communications","2022","78","6","","","10.1107/S2056989022004443","","","0.71075","MoKα","","0.0414","0.036","","","0.0871","0.0907","","","","","","1.103","","","","has coordinates,has Fobs","275187","2022-05-07","01:47:03",""
"2022600","10.8897","0.0007","10.6951","0.0008","9.0496","0.0006","90","","108.059","0.002","90","","1002.05","0.12","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Chlorolactic acid","3-Chloro-2-hydroxypropanoic acid","","- C3 H5 Cl O3 -","- C3 H5 Cl O3 -","- C24 H40 Cl8 O24 -","8","2","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0674","0.0376","","","0.075","0.0859","","","","","","1.004","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:34",""
"2022601","11.3076","0.0004","10.8912","0.0003","9.0769","0.0003","90","","106.673","0.001","90","","1070.85","0.06","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromolactic acid","3-Bromo-2-hydroxypropanoic acid","","- C3 H5 Br O3 -","- C3 H5 Br O3 -","- C24 H40 Br8 O24 -","8","2","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0479","0.0394","","","0.1115","0.118","","","","","","1.034","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:35",""
"2022602","11.4762","0.0008","5.437","0.0004","9.1941","0.0007","90","","92.848","0.003","90","","572.97","0.07","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Iodolactic acid","2-Hydroxy-3-iodopropanoic acid","","- C3 H5 I O3 -","- C3 H5 I O3 -","- C12 H20 I4 O12 -","4","1","VP3024","Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E.","Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing <i>Z</i>'","Acta Crystallographica Section C","2022","78","4","257","264","10.1107/S2053229622002856","","x-ray","0.71073","MoKα","","0.0337","0.0246","","","0.054","0.0573","","","","","","1.095","","","","has coordinates,has Fobs","275196","2022-05-07","03:13:35",""
"2022603","8.77","0.002","11.658","0.003","23.843","0.006","90","","90","","90","","2437.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 1 (s21_30)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium chloride","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C88 H136 Cl8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0565","0.0419","","","0.1024","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:25",""
"2022604","8.859","0.004","12.038","0.005","23.805","0.01","90","","90","","90","","2538.7","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 2 (s20_37)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C88 H136 Br8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0574","0.0367","","","0.0877","0.0993","","","","","","1.035","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:26",""
"2022605","12.9151","0.0002","11.3061","0.0002","12.5239","0.0002","90","","90.6281","0.0005","90","","1828.62","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound 3 (disordered, s21_32)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide–1,2,4,5-tetrafluoro-3,6-diiodobenzene–water (2/1/2)","","- C14 H19 Br F2 I N2 O3 -","- C14 H19 Br F2 I N2 O3 -","- C56 H76 Br4 F8 I4 N8 O12 -","4","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0622","0.042","","","0.0841","0.0927","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","275287","2022-05-10","01:38:29",""
"2022606","6.9163","0.0004","12.5609","0.0008","19.9264","0.0012","90","","90","","90","","1731.11","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,9,14,18-Tetramethyl-1,4,10,13-tetraazacyclooctadeca-5,8,14,17-tetraene-7,16-dione","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C72 H112 N16 O8 -","4","0.5","DG3026","Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G.","Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004582","","","0.71073","MoKα","","0.04","0.0347","","","0.0899","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","275474","2022-05-17","01:43:02",""
"2022607","7.1902","0.0005","18.5341","0.0008","14.2507","0.0007","90","","102.814","0.006","90","","1851.81","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole","","- C18 H14 Cl4 N2 O -","- C18 H14 Cl4 N2 O -","- C72 H56 Cl16 N8 O4 -","4","1","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.1071","0.0475","","","0.1162","0.1384","","","","","","0.883","","","","has coordinates,has Fobs","275475","2022-05-17","01:43:59",""
"2022608","8.0766","0.0002","11.5926","0.0003","13.0383","0.0004","115.423","0.003","99.068","0.002","94.776","0.002","1073.06","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole ethanol monosolvate","","- C20 H20 Cl4 N2 O2 -","- C20 H20 Cl4 N2 O2 -","- C40 H40 Cl8 N4 O4 -","2","1","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.0522","0.0362","","","0.091","0.0971","","","","","","1.04","","","","has coordinates,has Fobs","275475","2022-05-17","01:44:00",""
"2022609","8.063","0.0003","33.261","0.0016","16.5481","0.0007","90","","117.864","0.003","90","","3923.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole hemihydrate","","- C18 H15 Cl4 N2 O1.5 -","- C18 H15 Cl4 N2 O1.5 -","- C144 H120 Cl32 N16 O12 -","8","2","VP3025","Kaspiaruk, Hanna; Checińska, Lilianna","A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004909","","","0.71073","MoKα","","0.0784","0.0448","","","0.0965","0.1077","","","","","","1.028","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:44",""
"2022610","9.9301","0.0011","10.1686","0.001","12.7882","0.0014","80.948","0.003","71.899","0.003","88.682","0.003","1211.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(triphenylphosphane-κ<i>P</i>)(tropolonato-κ^2^<i>O</i>,<i>O</i>')rhenium(I)","","- C28 H20 O5 P Re -","- C28 H20 O5 P Re -","- C56 H40 O10 P2 Re2 -","2","1","OC3014","Schutte-Smith, Marietjie; Visser, Hendrik Gideon","Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]","Acta Crystallographica Section C","2022","78","6","","","10.1107/S205322962200465X","","","0.71073","MoKα","","0.0152","0.0149","","","0.0376","0.0378","","","","","","1.076","","","","has coordinates,has Fobs","275501","2022-05-18","01:31:55",""
"2022611","8.5413","0.0012","8.7024","0.0013","20.376","0.003","102.221","0.005","93.891","0.005","109.093","0.005","1383.3","0.4","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl(3,5,7-tribromotropolonato-κ^2^<i>O</i>,<i>O</i>')(triphenylphosphane-κ<i>P</i>)rhenium(I)","","- C28 H17 Br3 O5 P Re -","- C28 H17 Br3 O5 P Re -","- C56 H34 Br6 O10 P2 Re2 -","2","1","OC3014","Schutte-Smith, Marietjie; Visser, Hendrik Gideon","Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]","Acta Crystallographica Section C","2022","78","6","","","10.1107/S205322962200465X","","","0.71073","MoKα","","0.0394","0.0288","","","0.0571","0.0618","","","","","","1.063","","","","has coordinates,has Fobs","275501","2022-05-18","01:31:56",""
"2022612","14.987","0.003","10.835","0.002","15.997","0.003","90","","100.49","0.03","90","","2554.2","0.9","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-2-methylenepropane-1,3-diyl dinicotinate-κ^2^<i>N</i>:<i>N</i>'] chloroform monosolvate","","- C18 H15 Ag Cl3 F3 N2 O7 S -","- C18 H15 Ag Cl3 F3 N2 O7 S -","- C72 H60 Ag4 Cl12 F12 N8 O28 S4 -","4","1","JX3070","Jo, Seong Min; Noh, Tae Hwan","Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004818","","","0.71073","MoKα","","0.0482","0.0432","","","0.1183","0.124","","","","","","1.035","","","","has coordinates,has Fobs","275569","2022-05-20","01:39:54",""
"2022613","8.4347","0.0003","15.5581","0.0006","14.9879","0.0006","90","","100.31","0.001","90","","1935.07","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(trifluoromethanesulfonato-κ<i>O</i>)silver(I)]-μ-2-methylenepropane-1,3-diyl dinicotinate-κ^2^<i>N</i>:<i>N</i>']","","- C17 H14 Ag F3 N2 O7 S -","- C17 H14 Ag F3 N2 O7 S -","- C68 H56 Ag4 F12 N8 O28 S4 -","4","1","JX3070","Jo, Seong Min; Noh, Tae Hwan","Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004818","","","0.71073","MoKα","","0.0328","0.03","","","0.0762","0.0803","","","","","","1.052","","","","has coordinates,has Fobs","275569","2022-05-20","01:39:57",""
"2022614","10.5989","0.0001","10.5989","0.0001","28.4478","0.0002","90","","90","","120","","2767.58","0.04","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Turinabol hemihydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one hemihydrate","","- C20 H28 Cl O2.5 -","- C20 H28 Cl O2.5 -","- C120 H168 Cl6 O15 -","6","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0823","0.0832","","","","","","1.073","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:36",""
"2022615","10.8409","0.0003","10.225","0.0002","16.4751","0.0005","90","","93.759","0.002","90","","1822.31","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turinabol","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","2","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1284","0.1357","","","","","","1.084","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:47",""
"2022616","10.70311","0.0001","10.70311","0.0001","68.7275","0.0008","90","","90","","90","","7873.19","0.14","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Turinabol acetic acid solvate hydrate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one acetic acid hemisolvate hemihydrate","","- C42 H60 Cl2 O7 -","- C42 H60 Cl2 O7 -","- C336 H480 Cl16 O56 -","8","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","","1.54184","CuKα","","0.0451","0.0417","","","0.0959","0.0978","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","275878","2022-06-07","13:20:50",""
"2022617","10.3088","0.0003","12.9337","0.0003","29.6661","0.0007","90","","90","","90","","3955.41","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Turinabol_2,2,2_trifluoroethanol_solvate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one 2,2,2_trifluoroethanol hemisolvate","","- C42 H57 Cl2 F3 O5 -","- C42 H57 Cl2 F3 O5 -","- C168 H228 Cl8 F12 O20 -","4","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.061","0.0471","","","0.114","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:55",""
"2022618","9.0957","0.0003","17.4571","0.0004","11.5422","0.0003","90","","95.107","0.003","90","","1825.45","0.09","293.54","0.1","293.54","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetra-μ~2~-acetato-bis(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraholmium(III)] pentahydrate]","","- C56 H70 Ho4 N4 O33 -","- C56 H70 Ho4 N4 O33 -","- C56 H70 Ho4 N4 O33 -","1","0.25","OC3015","Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian","Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005678","","x-ray","0.71073","MoKα","","0.038","0.0318","","","0.0777","0.0816","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","275901","2022-06-08","02:12:01",""
"2022619","9.3197","0.0004","17.6285","0.0006","11.2707","0.0004","90","","94.131","0.004","90","","1846.88","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetra-μ~2~-acetato-bis(μ~6~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] dimethylacetamide disolvate dihydrate]","","- C64 H82 Eu4 N6 O32 -","- C64 H82 Eu4 N6 O32 -","- C64 H82 Eu4 N6 O32 -","1","0.25","OC3015","Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian","Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005678","","","0.71073","MoKα","","0.0694","0.0469","","","0.0944","0.1045","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","275901","2022-06-08","02:12:02",""
"2022620","7.2057","0.0003","11.0792","0.0004","41.2346","0.0016","90","","90","","90","","3291.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazine 2'-deoxyribonucleoside","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","2","CU3182","Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005964","","","0.71073","MoKα","","0.063","0.0453","","","0.0893","0.0962","","","","","","1.072","","","","has coordinates,has Fobs","276016","2022-06-14","01:54:22",""
"2022621","4.9916","0.0005","10.8497","0.0012","10.0075","0.001","90","","98.411","0.003","90","","536.15","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","<i>N</i>-(Thiophen-2-ylmethyl)thiophene-2-carboxamide","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C20 H18 N2 O2 S4 -","2","1","EF3029","Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt","Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006283","","","0.71073","MoKα","","0.0545","0.0468","","","0.1137","0.1192","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","276217","2022-06-24","02:10:05",""
"2022622","9.4539","0.0006","29.9892","0.0015","13.1934","0.001","90","","106.454","0.007","90","","3587.3","0.4","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Aminotetrazole–3,5-dihydroxybenzoic acid–water (1/4/6)","","- C29 H39 N5 O22 -","- C29 H39 N5 O22 -","- C116 H156 N20 O88 -","4","1","ZO3022","Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford","Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006519","","x-ray","0.71073","MoKα","","0.17","0.0664","","","0.1179","0.1519","","","","","","0.976","","","","has coordinates,has Fobs","276306","2022-06-28","01:47:50",""
"2022623","6.2591","0.0003","11.1312","0.0005","17.2257","0.0009","90","","98.646","0.005","90","","1186.5","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Aminotetrazolium 3,5-dinitrosalicylate","","- C8 H7 N7 O7 -","- C8 H7 N7 O7 -","- C32 H28 N28 O28 -","4","1","ZO3022","Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford","Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006519","","x-ray","1.54184","CuKα","","0.0443","0.0409","","","0.1124","0.1142","","","","","","1.042","","","","has coordinates,has Fobs","276306","2022-06-28","01:47:51",""
"2022624","23.7648","0.0005","8.5785","0.0002","6.9373","0.0002","90","","90","","90","","1414.28","0.06","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Carboxy-2-(pyrazin-2-yl)quinolin-1-ium chloride dihydrate","","- C14 H14 Cl N3 O4 -","- C14 H14 Cl N3 O4 -","- C56 H56 Cl4 N12 O16 -","4","1","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.5418","CuKα","","0.0297","0.0266","","","0.0615","0.0639","","","","","","1.044","","","","has coordinates,has Fobs","276307","2022-06-28","01:48:48",""
"2022625","21.9637","0.0008","12.4106","0.0003","11.5844","0.0004","90","","90","","90","","3157.71","0.18","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Poly[[diaquabis[μ~4~-2-(pyrazin-2-yl)quinoline-4-carboxylato]dicopper(I)copper(II)] bis(tetrafluoridoborate)]","","- C28 H20 B2 Cu3 F8 N6 O6 -","- C28 H20 B2 Cu3 F8.006 N6 O6 -","- C112 H80 B8 Cu12 F32.024 N24 O24 -","4","0.5","DG3031","Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek","A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005812","","","1.54178","CuKα","","0.0357","0.0316","","","0.084","0.088","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","276307","2022-06-28","01:48:49",""
"2022626","9.4503","0.0008","12.7805","0.0011","10.9605","0.0009","90","","100.687","0.001","90","","1300.84","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Diethynylpyridine–<i>N</i>-iodosuccinimide (1/1)","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0292","0.0254","","","0.0529","0.0551","","","","","","1.052","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:51",""
"2022627","10.4088","0.0009","5.32","0.0004","23.5462","0.0019","90","","91.606","0.001","90","","1303.35","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diethynylpyridine–<i>N</i>-iodosuccinimide (1/1)","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0308","0.0219","","","0.0441","0.0463","","","","","","1.017","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:52",""
"2022628","10.2264","0.0009","5.3123","0.0005","23.281","0.002","90","","92.048","0.001","90","","1263.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diethynylpyridine–<i>N</i>-bromosuccinimide (1/1)","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","EF3030","Bosch, Eric; Bowling, Nathan P.","Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622006635","","","0.71073","MoKα","","0.0326","0.025","","","0.0617","0.0641","","","","","","1.061","","","","has coordinates,has Fobs","276425","2022-06-30","01:58:52",""
"2022629","15.58979","0.00016","10.33883","0.0001","9.91195","0.00009","90","","90","","90","","1597.61","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(4-Bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C76 H52 Br4 N8 O4 -","4","1","VM2267","Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E Crystallographic Communications","2022","78","8","","","10.1107/S2056989022006466","","","1.54178","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.049","","","","has coordinates,has Fobs","276585","2022-07-06","01:50:45",""
"2022645","7.7235","0.0007","9.4051","0.0007","10.5846","0.0009","112.585","0.003","102.828","0.004","92.852","0.003","684.36","0.1","298","1","298","1","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^]","","- C12 H12 Fe N8 -","- C12 H12 Fe N8 -","- C24 H24 Fe2 N16 -","2","1","DG3032","Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan","Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006908","","","0.71073","MoKα","","0.0782","0.0474","","","0.1037","0.1281","","","","","","1.141","","","","has coordinates,has Fobs","276891","2022-07-23","03:53:48",""
"2022646","7.4901","0.0002","18.3242","0.0005","10.6219","0.0003","90","","110.017","0.001","90","","1369.79","0.07","298","1","298","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II)]-di-μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^]","","- C12 H12 Fe N8 -","- C12 H12 Fe N8 -","- C48 H48 Fe4 N32 -","4","1","DG3032","Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan","Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)]","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006908","","","0.71073","MoKα","","0.0543","0.0331","","","0.077","0.0887","","","","","","1.066","","","","has coordinates,has Fobs","276891","2022-07-23","03:53:48",""
"2022647","8.7252","0.0004","7.7772","0.0004","10.7406","0.0005","90","","97.969","0.001","90","","721.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Creatininium bromide","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium bromide","","- C4 H8 Br N3 O -","- C4 H8 Br N3 O -","- C16 H32 Br4 N12 O4 -","4","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0289","0.0215","","","0.0464","0.0494","","","","","","1.063","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022648","7.9887","0.0004","6.6098","0.0003","11.4753","0.0006","90","","102.08","0.002","90","","592.52","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Creatininium 3-aminobenzoate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3-aminobenzoate","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C22 H28 N8 O6 -","2","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0589","0.0458","","","0.1159","0.1264","","","","","","1.041","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022649","5.4175","0.0008","22.634","0.003","11.3668","0.0016","90","","98.696","0.003","90","","1377.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatininium 3,5-dinitrobenzoate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 3,5-dinitrobenzoate","","- C11 H11 N5 O7 -","- C11 H11 N5 O7 -","- C44 H44 N20 O28 -","4","1","DG3030","Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim","Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2022","78","8","","","10.1107/S2053229622006684","","","0.71073","MoKα","","0.0877","0.0653","","","0.1786","0.1961","","","","","","1.028","","","","has coordinates,has Fobs","276892","2022-07-23","03:54:51",""
"2022650","5.781","0.002","12.717","0.002","14.655","0.003","67.751","0.018","78.78","0.03","82.94","0.02","976.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","4-Bromo-<i>N</i>-(5,6-diphenyl-2<i>H</i>-1,2,4-triazin-3-ylidene)benzenesulfonamide","","- C21 H15 Br N4 O2 S -","- C21 H15 Br N4 O2 S -","- C42 H30 Br2 N8 O4 S2 -","2","1","EF3031","Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew","Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives","Acta Crystallographica Section C Structural Chemistry","2022","78","9","","","10.1107/S2053229622007781","","x-ray","1.54184","CuKα","","0.1197","0.0792","","","0.2068","0.251","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","277166","2022-08-09","02:26:35",""
"2022651","10.919","0.002","8.0871","0.0016","24.875","0.005","90","","96.65","0.03","90","","2181.8","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfamoyl]methyl}benzoate","","- C24 H20 N4 O4 S -","- C24 H20 N4 O4 S -","- C96 H80 N16 O16 S4 -","4","1","EF3031","Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew","Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives","Acta Crystallographica Section C Structural Chemistry","2022","78","9","","","10.1107/S2053229622007781","","x-ray","1.54178","CuKα","","0.0878","0.0695","","","0.2072","0.2526","","","","","","1.18","","","","has coordinates,has Fobs","277166","2022-08-09","02:26:38",""
"2022652","16.8354","0.001","6.787","0.0004","10.1499","0.0006","90","","93.71","0.003","90","","1157.32","0.12","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium digermanium heptasulfide","","- Cd Ge2 Li4 S7 -","- Cd Ge2 Li4 S7 -","- Cd4 Ge8 Li16 S28 -","4","1","WP3029","Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A.","Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008014","","","0.71073","MoKα","","0.0104","0.0102","","","0.0239","0.0239","","","","","","1.076","","","","has coordinates,has Fobs","277355","2022-08-23","01:40:00",""
"2022653","6.7134","0.0005","15.9685","0.0011","13.3879","0.0008","90","","93.999","0.002","90","","1431.73","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","ZO3025","Çakmak, Şükriye; Aycan, Tuğba; Öztürk, Filiz; Veyisoğlu, Aysel","Design, synthesis and spectroscopic and structural characterization of novel <i>N</i>-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008257","","","0.71073","MoKα","","0.0845","0.0531","","","0.1316","0.157","","","","","","1.076","","","","has coordinates,has Fobs","277421","2022-08-27","02:30:33",""
"2022654","12.5769","0.0003","7.5529","0.0004","18.5933","0.0003","90","","99.863","0.002","90","","1740.11","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-4,4'-bis(2-methylimidazol-1-yl)biphenyl-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[μ~3~-2-(2-carboxylatophenyl)acetato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>'':<i>O</i>'']dicadmium(II)],","","- C19 H15 Cd N2 O4 -","- C19 H15 Cd N2 O4 -","- C76 H60 Cd4 N8 O16 -","4","1","DG3033","Shen, Hong","A new two-dimensional cadmium(II) coordination polymer based on the asymmetric dicarboxylic acid homophthalic acid: synthesis, structure and properties","Acta Crystallographica Section C","2022","78","9","","","10.1107/S2053229622008476","","","0.71073","MoKα","","0.0337","0.0249","","","0.0535","0.0579","","","","","","1.114","","","","has coordinates,has Fobs","277422","2022-08-27","02:31:08",""
"2022655","20.3512","0.0013","6.4815","0.0004","18.049","0.001","90","","100.452","0.003","90","","2341.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>SR</i>)-4,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) tetrachloridoferrate","","- C14 H32 Cl6 Fe2 N4 -","- C14 H32 Cl6 Fe2 N4 -","- C56 H128 Cl24 Fe8 N16 -","4","0.5","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","0.71073","MoKα","","0.0431","0.0271","","","0.0605","0.0669","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","277477","2022-08-31","01:49:23",""
"2022656","8.1632","0.0004","20.847","0.0012","12.1387","0.0007","90","","95.024","0.002","90","","2057.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>RS</i>,14<i>SR</i>)-4,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride methanol monosolvate","","- C15 H36 Cl3 Fe N4 O -","- C15 H36 Cl3 Fe N4 O -","- C60 H144 Cl12 Fe4 N16 O4 -","4","1","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","0.71073","MoKα","","0.0354","0.0243","","","0.0554","0.0608","","","","","","1.036","","","","has coordinates,has Fobs","277477","2022-08-31","01:49:27",""
"2022657","9.2912","0.0012","11.9579","0.0019","17.267","0.003","90","","90","","90","","1918.4","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>cis</i>-Dichlorido[(5<i>SR</i>,7<i>RS</i>,12<i>SR</i>,14<i>RS</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane]iron(III) chloride","","- C14 H32 Cl3 Fe N4 -","- C14 H32 Cl3 Fe N4 -","- C56 H128 Cl12 Fe4 N16 -","4","0.5","LF3128","DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong","Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section C","2022","78","9","507","514","10.1107/S205322962200849X","","","1.54178","CuKα","","0.0992","0.0655","","","0.1679","0.1961","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","277477","2022-08-31","01:49:27",""
"2022660","11.205","0.019","6.687","0.011","8.373","0.015","90","","90","","90","","627.4","1.9","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Compound 1 (s20_07)","1,3,5-Trimethyl-1<i>H</i>-pyrazole","","- C6 H10 N2 -","- C6 H10 N2 -","- C24 H40 N8 -","4","0.5","DJ2050","van Terwingen, Steven; Englert, Ulli","Trimethylpyrazole: a simple heterocycle reflecting Kitaigorodskii's packing principle","Acta Crystallographica Section E Crystallographic Communications","2022","78","10","","","10.1107/S205698902200860X","","","0.71073","MoKα","","0.0907","0.0467","","","0.1095","0.1192","","","","","","0.873","","","","has coordinates,has Fobs","277611","2022-09-03","02:01:49",""
"2022661","6.1202","0.0003","25.213","0.001","10.5669","0.0004","90","","106.403","0.002","90","","1564.2","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C15 H23 N3 O3 S -","- C15 H23 N3 O3 S -","- C60 H92 N12 O12 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.0799","0.049","","","0.1149","0.1288","","","","","","1.023","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:20",""
"2022662","8.504","0.003","12.229","0.005","15.834","0.006","102.194","0.008","91.589","0.007","95.875","0.008","1599","1.1","120","","120","","","","","","","","","5","P -1","-P 1","2","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C14 H21 N3 O4 S -","- C14 H21 N3 O4 S -","- C56 H84 N12 O16 S4 -","4","2","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.2316","0.0854","","","0.1204","0.1529","","","","","","1.014","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022663","8.2022","0.0005","6.3857","0.0004","34.166","0.002","90","","110.022","0.001","90","","1681.35","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate monohydrate","2-Amino-8-oxa-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate monohydrate","","- C14 H23 N3 O5 S -","- C14 H23 N3 O5 S -","- C56 H92 N12 O20 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.064","0.0505","","","0.0966","0.1014","","","","","","1.011","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022664","6.2286","0.0004","8.5209","0.0004","16.2157","0.0007","84.881","0.002","79.671","0.002","84.66","0.002","840.68","0.08","295","","295","","","","","","","","","5","P -1","-P 1","2","2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-thia-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C14 H21 N3 O3 S2 -","- C14 H21 N3 O3 S2 -","- C28 H42 N6 O6 S4 -","2","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.1077","0.0965","","","0.2109","0.2184","","","","","","1.047","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022665","8.4423","0.0003","12.0126","0.0004","20.3063","0.0006","100.315","0.001","96.533","0.001","95.678","0.002","1997.85","0.11","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","2-Amino-8-phenyl-1,5,8-triazaspiro[4.5]dec-1-en-5-ium tosylate","2-Amino-8-phenyl-1,5,8-triazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate","","- C20 H26 N4 O3 S -","- C20 H26 N4 O3 S -","- C80 H104 N16 O12 S4 -","4","2","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.0921","0.0525","","","0.1095","0.1281","","","","","","1.005","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:23",""
"2022666","11.0524","0.0012","19.127","0.002","8.8414","0.001","90","","107.131","0.004","90","","1786.1","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(1<i>H</i>-Benzimidazol-1-yl)-<i>N</i>'-(tosyloxy)propanimidamide","3-(1<i>H</i>-1,3-benzimidazol-1-yl)-<i>N</i>'-{[(4-methylbenzene)sulfonyl]oxy}propanimidamide","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","1","ZO3026","Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys","Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008464","","","0.71073","MoKα","","0.073","0.0454","","","0.1024","0.1099","","","","","","1.038","","","","has coordinates,has Fobs","277787","2022-09-13","01:48:24",""
"2022667","13.5921","0.0007","12.7103","0.0006","7.6215","0.0003","90","","103.133","0.002","90","","1282.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-4-(4-Fluorostyryl)-2-methylquinoline","(<i>E</i>)-4-[2-(4-Fluorophenyl)ethenyl]-2-methylquinoline","","- C18 H14 F N -","- C18 H14 F N -","- C72 H56 F4 N4 -","4","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0588","0.0417","","","0.0897","0.0996","","","","","","1.047","","","","has coordinates,has Fobs","277788","2022-09-13","01:49:56",""
"2022668","17.2696","0.001","10.8096","0.0007","16.1495","0.0008","90","","91.44","0.002","90","","3013.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(<i>E</i>)-2-Methyl-4-[4-(trifluoromethyl)styryl]quinoline","(<i>E</i>)-2-Methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline","","- C19 H14 F3 N -","- C19 H14 F3 N -","- C152 H112 F24 N8 -","8","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0671","0.0474","","","0.1092","0.1213","","","","","","1.034","","","","has coordinates,has Fobs","277788","2022-09-13","01:50:06",""
"2022669","30.5651","0.0015","3.8629","0.0002","25.5357","0.0013","90","","110.497","0.002","90","","2824.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(<i>E</i>)-4-(2,6-Dichlorostyryl)-2-methylquinoline","(<i>E</i>)-4-[2-(2,6-dichlorophenyl)ethenyl]-2-methylquinoline","","- C18 H13 Cl2 N -","- C18 H13 Cl2 N -","- C144 H104 Cl16 N8 -","8","1","KY3221","Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008634","","","0.71073","MoKα","","0.0349","0.0311","","","0.0762","0.0786","","","","","","1.067","","","","has coordinates,has Fobs","277788","2022-09-13","01:50:16",""
"2022670","6.72815","0.00004","11.24661","0.00006","15.51195","0.00008","90","","90","","90","","1173.77","0.011","99.8","0.4","99.8","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>S</i>,4<i>R</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0217","0.0217","","","0.0567","0.0567","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:54",""
"2022671","6.72595","0.00005","11.23408","0.00008","15.51954","0.00011","90","","90","","90","","1172.65","0.015","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>R</i>,4<i>S</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0587","0.0587","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:55",""
"2022672","6.8722","0.0002","11.0502","0.0003","11.209","0.0003","65.618","0.003","89.798","0.002","87.085","0.002","774.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one dimethylformamide monosolvate","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1223","0.1252","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","279111","2022-11-08","19:40:14",""
"2022673","17.4344","0.0003","13.08","0.0003","7.0192","0.0001","90","","92.315","0.001","90","","1599.37","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl [1-(2-ethoxy-2-oxoethoxy)-5-methyl-4-oxo-7-phenyl-3,4-dihydropyrido[3,4-<i>d</i>]pyridazin-3-yl]acetate","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.0593","0.05","","","0.1184","0.1232","","","","","","1.096","","","","has coordinates,has Fobs","279111","2022-11-08","19:40:15",""
"2022674","8.679","0.002","8.751","0.002","15.137","0.004","92.24","0.02","106.06","0.03","109.46","0.03","1030.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl [(5-methyl-4-oxo-7-phenyl-3,4-dihydropyrido[3,4-<i>d</i>]pyridazin-1-yl)oxy]acetate","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C44 H46 N6 O12 -","2","1","QF3056","Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona","Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates","Acta Crystallographica Section C","2022","78","10","559","569","10.1107/S2053229622009202","","x-ray","1.54184","CuKα","","0.103","0.0627","","","0.1474","0.165","","","","","","0.984","","","","has coordinates,has Fobs","279111","2022-11-08","19:40:15",""
"2022675","4.181","0.0005","15.0336","0.0017","6.797","0.0008","90","","96.506","0.002","90","","424.48","0.09","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Diiodo-5-nitrobenzene","","- C6 H3 I2 N O2 -","- C6 H3 I2 N O2 -","- C12 H6 I4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0196","0.0191","","","0.0402","0.0404","","","","","","1.345","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022676","3.9721","0.0007","14.164","0.002","6.7971","0.0011","90","","96.486","0.002","90","","379.96","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dibromo-5-nitrobenzene","","- C6 H3 Br2 N O2 -","- C6 H3 Br2 N O2 -","- C12 H6 Br4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0355","0.0291","","","0.078","0.0812","","","","","","1.085","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022677","3.8115","0.0003","13.6452","0.0011","6.8976","0.0005","90","","94.632","0.001","90","","357.56","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Dichloro-5-nitrobenzene","","- C6 H3 Cl2 N O2 -","- C6 H3 Cl2 N O2 -","- C12 H6 Cl4 N2 O4 -","2","0.5","DV3019","Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D.","A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene","Acta Crystallographica Section C","2022","78","10","552","558","10.1107/S2053229622009275","","","0.71073","MoKα","","0.0303","0.0275","","","0.0691","0.0705","","","","","","1.117","","","","has coordinates,has Fobs","279112","2022-11-08","19:40:23",""
"2022678","9.935","0.0003","17.5133","0.0007","21.4662","0.0008","90","","90","","90","","3735","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1<i>H</i>-pyrazol-5-yl}-2,2,2-trifluoroacetamide","","- C15 H8 Cl2 F6 N4 O S -","- C15 H8 Cl2 F6 N4 O S -","- C120 H64 Cl16 F48 N32 O8 S8 -","8","1","TX2059","Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide","Acta Crystallographica Section E Crystallographic Communications","2022","78","11","","","10.1107/S2056989022009653","","","0.71073","MoKα","","0.0292","0.0257","","","0.0626","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","278354","2022-10-05","01:57:24",""
"2022679","8.4728","0.0003","6.01563","0.00018","6.1537","0.0002","90","","90","","90","","313.649","0.018","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Diiridium trisulfide","","- Ir2 S3 -","- Ir2 S3 -","- Ir8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.0327","0.0174","","","0.0293","0.0318","","","","","","1.047","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:10",""
"2022680","8.4672","0.0003","5.98537","0.00018","6.13921","0.00019","90","","90","","90","","311.131","0.017","293","2","293","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","Dirhodium trisulfide","","- Rh2 S3 -","- Rh2 S3 -","- Rh8 S12 -","4","0.5","EP3024","Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa","Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S2053229622009603","","","0.71073","MoKα","","0.021","0.0176","","","0.044","0.0451","","","","","","1.14","","","","has coordinates,has Fobs","278481","2022-10-07","01:48:11",""
"2022681","7.4465","0.0004","8.0745","0.0005","23.16","0.0013","90","","94.31","0.002","90","","1388.6","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-[(3-Carboxyphenoxy)methyl]isophthalic acid","5-[(3-Carboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C64 H48 O28 -","4","1","EF3033","An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi","Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009445","","","0.71073","MoKα","","0.1181","0.0628","","","0.1234","0.1466","","","","","","0.971","","","","has coordinates,has Fobs","278498","2022-10-08","01:46:07",""
"2022682","10.1105","0.0006","12.0603","0.0006","21.2013","0.0012","90","","103.067","0.0012","90","","2518.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]{μ~2~-5-[(3-carboxyphenoxy)methyl]isophthalato}cadmium(II)]","","- C28 H20 Cd N4 O7 -","- C28 H20 Cd N4 O7 -","- C112 H80 Cd4 N16 O28 -","4","1","EF3033","An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi","Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009445","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0614","","","","","","1.083","","","","has coordinates,has Fobs","278498","2022-10-08","01:46:08",""
"2022683","9.4726","0.0004","10.3","0.0005","15.3583","0.0007","73.378","0.002","88.382","0.002","86.4","0.002","1432.94","0.11","150","2","150","","","","","","","","","3","P 1","P 1","1","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<i>D</i>-mannitol","(1<i>R</i>,2<i>R</i>)-1,2-Bis[(<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-bis(prop-2-yn-1-yloxy)ethane","","- C18 H26 O6 -","- C18 H26 O6 -","- C54 H78 O18 -","3","3","OC3016","Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W.","3,4-Bis-<i>O</i>-propargyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol: a study of multiple weak hydrogen bonds in the solid state","Acta Crystallographica Section C","2022","78","11","","","10.1107/S205322962200897X","","","0.71073","MoKα","","0.0264","0.0255","","","0.0643","0.065","","","","","","1.016","","","","has coordinates,has Fobs","278543","2022-10-12","02:03:47",""
"2022684","7.0903","0.0003","7.4318","0.0005","13.8071","0.0005","88.745","0.004","84.993","0.003","77.728","0.004","708.21","0.06","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis(1,2,3-tribromocyclopentadienyl)iron(II)","","- C10 H4.04 Br5.96 Fe -","- C10 H4.036 Br5.964 Fe -","- C20 H8.072 Br11.928 Fe2 -","2","1","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0622","0.0431","","","0.0832","0.0899","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","278580","2022-10-14","01:47:15",""
"2022685","6.9395","0.0002","7.0548","0.0002","8.9271","0.0003","67.577","0.001","76.16","0.001","86.461","0.001","392.06","0.02","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","Bis(1,2,3,4-tetrabromocyclopentadienyl)iron(II)","","- C10 H2 Br8 Fe -","- C10 H2 Br8 Fe -","- C10 H2 Br8 Fe -","1","0.5","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0529","0.0374","","","0.0713","0.0762","","","","","","1.063","","","","has coordinates,has Fobs","278580","2022-10-14","01:47:20",""
"2022686","8.9784","0.0003","14.0971","0.0004","15.8485","0.0004","90","","90.689","0.001","90","","2005.79","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1-Bromomercurio-2,3,4,5-tetrabromocyclopentadienyl)(1,2,3,4,5-pentabromocyclopentadienyl)iron(II)","","- C10 Br10 Fe Hg -","- C10 Br10 Fe Hg -","- C40 Br40 Fe4 Hg4 -","4","1","QW3001","Blockhaus, Tobias; Sünkel, Karlheinz","Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe]","Acta Crystallographica Section C Structural Chemistry","2022","78","11","","","10.1107/S205322962200955X","","","0.71073","MoKα","","0.0565","0.0362","","","0.0833","0.092","","","","","","1.058","","","","has coordinates,has Fobs","278580","2022-10-14","01:47:26",""
"2022687","9.623","0.0007","10.13","0.0018","10.151","0.0018","104.686","0.012","103.935","0.014","98.024","0.015","907.6","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1-Cyano-4-[<i>trans</i>-4-(<i>trans</i>-4-propylcyclohexyl)cyclohexyl]benzene","4-[<i>trans</i>-4-(<i>trans</i>-4-Propylcyclohexyl)cyclohexyl]benzonitrile","","- C22 H31 N -","- C22 H31 N -","- C44 H62 N2 -","2","1","YP3226","Gupta, Sakuntala; Das, Partha Pratim; Crispini, Alessandra; Scarpelli, Francesca; Borbone, Fabio; Centore, Roberto","Crystal and mesophase structure of a bicyclohexyl cyano mesogen","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622010105","","x-ray","0.71073","MoKα","","0.0626","0.0434","","","0.1245","0.1428","","","","","","1.063","","","","has coordinates,has Fobs","278766","2022-10-25","02:18:10",""
"2022688","15.0438","0.0007","13.42","0.0005","25.3937","0.0009","90","","100.933","0.004","90","","5033.6","0.4","174.1","","174.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(9,9-dimethyl-9<i>H</i>-xanthene-4,5-diyl)bis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>'](pyridine-3-carbonitrile-κ<i>N</i>^3^)copper(I)] hexafluorophosphate dichloromethane trisolvate]","","- C48 H42 Cl6 Cu F6 N2 O P3 -","- C48 H42 Cl6 Cu F6 N2 O P3 -","- C192 H168 Cl24 Cu4 F24 N8 O4 P12 -","4","1","OV3163","Kong, Yu-Jie; Wang, Jian-Teng; Song, Li","A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009809","","","0.71073","MoKα","","0.0871","0.0533","","","0.1276","0.1455","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","278873","2022-10-29","12:06:01",""
"2022689","9.7906","0.0005","9.6859","0.0005","9.8673","0.0005","90","","90","","90","","935.72","0.08","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,4,6-Trimethylpyrylium tetrafluoroborate","","- C8 H11 B F4 O -","- C8 H11 B F4 O -","- C32 H44 B4 F16 O4 -","4","0.5","QZ3001","Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622009469","","","0.71073","MoKα","","0.0417","0.0354","","","0.0854","0.0896","","","","","","1.05","","","","has coordinates,has Fobs","278874","2022-10-29","12:06:47",""
"2022690","9.492","0.0006","10.0234","0.0007","12.0606","0.0008","81.515","0.002","74.038","0.002","67.798","0.002","1020.21","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-Bromophenyl)(triphenylphosphanyl)borane","","- C24 H21 B Br P -","- C24 H21 B Br P -","- C48 H42 B2 Br2 P2 -","2","1","ZO3028","Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R.","Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane","Acta Crystallographica Section C","2022","78","11","","","10.1107/S2053229622010002","","x-ray","1.54178","CuKα","","0.0257","0.0252","","","0.0629","0.0632","","","","","","1.049","","","","has coordinates,has Fobs","278875","2022-10-29","12:07:22",""
"2022691","14.7026","0.0004","8.5449","0.0002","16.9929","0.0004","90","","92.8","0.002","90","","2132.31","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dicarboxyanilinium nitrate monohydrate","","- C8 H10 N2 O8 -","- C8 H10 N2 O8 -","- C64 H80 N16 O64 -","8","2","ZV2018","Boutebdja, Mehdi; Benarous, Nesrine; Boulkedid, Ahlem Linda; Lehleh, Asma; Beghidja, Adel","A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E Crystallographic Communications","2022","78","12","","","10.1107/S2056989022010167","","","0.71073","MoKα","","0.0667","0.0477","","","0.1279","0.1423","","","","","","1.018","","","","has coordinates,has Fobs","278897","2022-11-01","12:23:35",""
"2022692","13.0128","0.0002","27.1423","0.0004","13.9114","0.0003","90","","109.485","0.002","90","","4632.07","0.15","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>closo</i>-9-[4-(Dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12)","","- C22 H29 B10 N -","- C22 H29 B10 N -","- C176 H232 B80 N8 -","8","2","JQ2023","Milewski, Max; Caminade, Anne-Marie; Hey-Hawkins, Evamarie; Lönnecke, Peter","Pitfalls of a structure determination: The structure of closo-9-[4-(dibenzylamino)phenyl]-1,2-dicarbadodecaborane(12)","Acta Crystallographica Section E Crystallographic Communications","2022","78","12","","","10.1107/S205698902201043X","","","0.71073","MoKα","","0.0968","0.0562","","","0.1358","0.1597","","","","","","1.018","","","","has coordinates,has Fobs","279133","2022-11-09","03:04:26",""
"2022693","7.1687","0.0004","10.6689","0.0007","23.4887","0.0015","90","","90","","90","","1796.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","x-ray","0.71073","MoKα","","0.0539","0.0426","","","0.1038","0.1081","","","","","","1.006","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:34",""
"2022694","7.1815","0.0002","10.684","0.0003","23.5104","0.0007","90","","90","","90","","1803.89","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","","1.54184","CuKα","","0.0509","0.0464","","","0.1251","0.1308","","","","","","1.097","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:38",""
"2022695","11.0392","0.0002","8.1756","0.0002","23.3673","0.0004","90","","90","","90","","2108.95","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 I2 N2 S -","- C8 H4 I2 N2 S -","- C64 H32 I16 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0293","0.0262","","","0.0691","0.0709","","","","","","1.088","","","","has coordinates","279171","2022-11-10","02:47:44",""
"2022696","11.1945","0.0005","7.1006","0.0003","25.4725","0.0009","90","","90","","90","","2024.75","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-bromophenyl)-1,3,4-selenadiazole","","- C8 H4 Br2 N2 Se -","- C8 H4 Br2 N2 Se -","- C64 H32 Br16 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0531","0.0442","","","0.104","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:47",""
"2022697","11.1735","0.0004","7.1222","0.0002","26.1875","0.0008","90","","90","","90","","2084","0.11","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-selenadiazole","","- C8 H4 Br I N2 Se -","- C8 H4 Br I N2 Se -","- C64 H32 Br8 I8 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0656","0.0697","","","","","","1.082","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022698","10.9919","0.0002","6.9945","0.0001","26.4076","0.0004","90","","90","","90","","2030.29","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 Br I N2 S -","- C8 H4 Br I N2 S -","- C64 H32 Br8 I8 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0229","0.021","","","0.0509","0.0517","","","","","","1.07","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022708","6.3116","0.0009","6.3116","0.0009","9.944","0.002","90","","90","","90","","396.13","0.11","293","2","293","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ga18 Mg Mn4 -","- Ga18 Mg Mn4 -","- Ga18 Mg Mn4 -","1","0.0625","YP3224","Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Chumak, Ihor; Indris, Sylvio; Schwarz, Bjoern; Ehrenberg, Helmut","MgMn~4~Ga~18~: a novel three-shell gallium cluster structure","Acta Crystallographica, Section C","2022","78","8","455","461","10.1107/S2053229622007185","","","0.71073","MoKα","","0.0522","0.0444","","","0.0805","0.0823","","","","","","1.41","","","","has coordinates,has Fobs","282155","2023-03-31","13:04:13",""
"2108926","9.5015","0.0006","11.992","0.0008","31.506","0.002","90","","95.785","0.006","90","","3571.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C152 H144 N16 O40 S8 -","8","2","XK5087","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V.","1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity","Acta Crystallographica Section B","2022","78","1","","","10.1107/S2052520621013093","","","0.71073","MoKα","","0.0966","0.0472","","","0.1059","0.1294","","","","","","1.011","","","","has coordinates,has Fobs","272269","2022-01-27","02:46:24",""
"2108927","7.2868","0.0004","10.6462","0.0005","11.5637","0.0006","87.896","0.004","76.578","0.004","87.155","0.004","871.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O5 S -","- C19 H18 N2 O5 S -","- C38 H36 N4 O10 S2 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V.","1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity","Acta Crystallographica Section B","2022","78","1","","","10.1107/S2052520621013093","","","0.71073","MoKα","","0.0619","0.057","","","0.1733","0.1802","","","","","","1.056","","","","has coordinates,has Fobs","272269","2022-01-27","02:46:25",""
"2108928","11.7438","0.0005","15.8026","0.0007","12.5832","0.0005","90","","100.074","0.001","90","","2299.22","0.17","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N17 O18 -","- C10 H9 N17 O18 -","- C40 H36 N68 O72 -","4","1","YV5003","Lian, Pengbao; Zhang, Luyao; Su, Hongping; Chen, Jun; Chen, Lizhen; Wang, Jianlong","A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000245","","","0.71073","MoKα","","0.055","0.0424","","","0.0956","0.1047","","","","","","1.043","","","","has coordinates,has Fobs","273190","2022-03-01","02:43:51",""
"2108929","4.5226","0.0006","4.5226","0.0006","4.5226","0.0006","90","0.012","90","0.012","90","0.012","92.5","0.02","440","5","440","5","","","","","","","","3","P m -3 m","-P 4 2 3","221","caesium nitrate","caesium nitrate","","- Cs N O3 -","- Cs N1.0002 O2.9994 -","- Cs N1.0002 O2.9994 -","1","0.0208333","","Fábry, Jan; Kučeráková, Monika; Dušek, Michal; Buixaderas, Elena; Hlinka, Jiří","Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001135","","x-ray","0.71073","MoKα","","0.022","0.0144","","","0.0543","0.0588","","","","2.18","2.18","1.87","","","","has coordinates,has Fobs","273689","2022-03-15","02:44:00",""
"2108930","9.8195","0.0004","9.8992","0.0004","16.2764","0.0007","90","","94.985","0.002","90","","1576.17","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N O3 P -","- C18 H16 N O3 P -","- C72 H64 N4 O12 P4 -","4","1","AW5064","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0649","0.0436","","","0.092","0.1002","","","","","","1.051","","","","has coordinates,has Fobs","273718","2022-03-16","02:56:36",""
"2108931","8.4356","0.0002","9.2086","0.0002","11.2129","0.0002","79.719","0.001","86.293","0.001","73.677","0.001","822.39","0.03","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N O3 P -","- C18 H15 Br N O3 P -","- C36 H30 Br2 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0292","0.0252","","","0.0581","0.0593","","","","","","1.053","","","","has coordinates,has Fobs","273718","2022-03-16","02:56:56",""
"2108932","8.4547","0.0002","9.2155","0.0002","11.0953","0.0002","79.742","0.001","86.939","0.001","72.784","0.001","812.55","0.03","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N O3 P -","- C18 H15 Cl N O3 P -","- C36 H30 Cl2 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0299","0.0289","","","0.0794","0.0803","","","","","","1.056","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:00",""
"2108933","8.4777","0.0006","9.2823","0.0006","11.4187","0.0008","79.545","0.003","85.778","0.003","75.12","0.003","853.67","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 I N O3 P -","- C18 H15 I N O3 P -","- C36 H30 I2 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0259","0.0238","","","0.0567","0.0575","","","","","","1.092","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:11",""
"2108934","10.0639","0.0001","10.2306","0.0001","10.5227","0.0002","107.907","0.001","95.159","0.001","118.01","0.001","874.05","0.02","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N O3 P -","- C18 H15 Br N O3 P -","- C36 H30 Br2 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0356","0.0287","","","0.0624","0.0656","","","","","","1.04","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:14",""
"2108935","9.6702","0.0009","18.1551","0.0017","10.1914","0.001","90","","110.184","0.006","90","","1679.4","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N O3 P -","- C18 H15 Cl N O3 P -","- C72 H60 Cl4 N4 O12 P4 -","4","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0748","0.0588","","","0.1491","0.1593","","","","","","1.045","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108936","35.0174","0.0017","7.3265","0.0003","12.927","0.0005","90","","90","","90","","3316.5","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 F N O3 P -","- C18 H15 F N O3 P -","- C144 H120 F8 N8 O24 P8 -","8","2","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.1147","0.0638","","","0.1316","0.1569","","","","","","0.972","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108937","10.06","0.0002","10.4577","0.0002","10.6104","0.0002","109.098","0.001","95.734","0.001","116.967","0.001","898.35","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 I N O3 P -","- C18 H15 I N O3 P -","- C36 H30 I2 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.044","0.0358","","","0.055","0.0575","","","","","","1.064","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108938","24.8534","0.0005","7.2695","0.0001","19.7913","0.0004","90","","103.346","0.001","90","","3479.16","0.11","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Br N O3 P -","- C18 H15 Br N O3 P -","- C144 H120 Br8 N8 O24 P8 -","8","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0569","0.0388","","","0.0817","0.0874","","","","","","1.026","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108939","10.3815","0.0002","9.3201","0.0002","17.813","0.0003","90","","90.725","0.001","90","","1723.39","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N O3 P -","- C18 H15 Cl N O3 P -","- C72 H60 Cl4 N4 O12 P4 -","4","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0635","0.0475","","","0.1095","0.1163","","","","","","1.04","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108940","10.1285","0.0007","9.148","0.0007","17.8798","0.0014","86.225","0.003","90.171","0.003","91.354","0.003","1652.6","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F N O3 P -","- C18 H15 F N O3 P -","- C72 H60 F4 N4 O12 P4 -","4","2","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.1305","0.0761","","","0.1902","0.2262","","","","","","1.025","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108941","25.2005","0.0005","7.3428","0.0002","19.8275","0.0004","90","","103.083","0.001","90","","3573.69","0.14","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 I N O3 P -","- C18 H15 I N O3 P -","- C144 H120 I8 N8 O24 P8 -","8","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0291","0.0258","","","0.0582","0.0595","","","","","","1.063","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:16",""
"2108942","10.1665","0.0006","9.3374","0.0005","17.5495","0.001","90","","94.912","0.002","90","","1659.83","0.16","100","2","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C72 H56 F8 N4 O12 P4 -","4","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0786","0.049","","","0.0881","0.0981","","","","","","1.031","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:17",""
"2108943","9.2189","0.0006","10.0245","0.0007","10.0445","0.0007","68.276","0.003","84.831","0.003","69.889","0.003","809.02","0.1","100","2","100.25","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F2 N O3 P -","- C18 H14 F2 N O3 P -","- C36 H28 F4 N2 O6 P2 -","2","1","","Hasija, Avantika; Som, Shubham; Chopra, Deepak","Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622000889","","","0.71073","MoKα","","0.0767","0.0461","","","0.0901","0.1003","","","","","","1.056","","","","has coordinates,has Fobs","273718","2022-03-16","02:57:17",""
"2108944","14.2169","0.0017","3.76791","0.00022","13.7214","0.0015","90","","102.298","0.014","90","","718.16","0.13","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,11-Difluoro-quinacridone, alpha-phase","4,11-Difluoroquino[2,3-b]acridine-7,14(5H,12H)-dione, alpha-phase","","- C20 H10 F2 N2 O2 -","- C20 H10 F2 N2 O2 -","- C40 H20 F4 N4 O4 -","2","0.5","RA5106","Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U.","Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001500","powder diffraction","","1.54056","CuKα~1~","","0.02618","","","","","","","","4.402","","","","","","","has coordinates,has Fobs","273773","2022-03-18","02:53:21",""
"2108945","3.7718","0.0011","6.4792","0.0018","15.774","0.0049","93.744","0.026","92.189","0.021","100.918","0.019","377.2","0.19","300","","300","","","","","","","","","5","P -1","-P 1","2","2,9-Dichloro-quinacridone, Pigment Red 202, alpha-phase","2,9-Dichloroquino[2,3-b]acridine-7,14(5H,12H)-dione, alpha-phase","","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","- C20 H10 Cl2 N2 O2 -","1","0.5","RA5106","Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U.","Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001500","powder diffraction","","1.54056","CuKα~1~","","0.190794","","","","","","","","1.135","","","","","","","has coordinates,has Fobs","273773","2022-03-18","02:53:22",""
"2108946","8.7976","0.0003","14.331","0.007","7.986","0.0003","90","","96.276","0.003","90","","1000.8","0.5","298","2","298","2","100000","","100000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","XK5091","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1129","0.0849","","","0.2291","0.2643","","","","","","1.093","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:19",""
"2108947","8.7885","0.0004","14.26","0.008","8.0361","0.0004","90","","96.465","0.004","90","","1000.7","0.6","298","2","298","2","100000","","100000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1273","0.0886","","","0.2202","0.2491","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","273774","2022-03-18","02:54:20",""
"2108948","8.672","0.007","14.14","0.12","8.197","0.01","90","","97.39","0.08","90","","997","9","298","2","298","2","100000","","100000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.2857","0.1553","","","0.4174","0.4823","","","","","","1.302","","","","has coordinates,has disorder,has Fobs","273774","2022-03-18","02:54:20",""
"2108949","8.485","0.002","13.72","0.03","8.568","0.002","90","","99.15","0.02","90","","985","2","298","2","298","2","100000","","100000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1602","0.1046","","","0.2849","0.3304","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","273774","2022-03-18","02:54:20",""
"2108950","8.444","0.0004","13.728","0.009","8.5839","0.0004","90","","99.365","0.004","90","","981.8","0.6","298","2","298","2","100000","","100000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.0812","0.0586","","","0.146","0.1629","","","","","","1.065","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:20",""
"2108951","8.782","0.006","14.117","0.0009","7.9575","0.0005","90","","96.241","0.018","90","","980.7","0.7","298","2","298","2","400000","","400000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1262","0.0635","","","0.1313","0.1574","","","","","","1.043","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:20",""
"2108952","8.785","0.007","14.1121","0.001","7.9525","0.0006","90","","96.26","0.02","90","","980","0.8","298","2","298","2","400000","","400000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1366","0.0621","","","0.1412","0.1744","","","","","","1.058","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:20",""
"2108953","8.7518","0.001","14.129","0.0014","7.9658","0.0009","90","","96.24","0.03","90","","979.17","0.19","298","2","298","2","400000","","400000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.1297","0.0637","","","0.157","0.1806","","","","","","1.055","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:20",""
"2108954","8.7","0.05","14.11","0.008","7.995","0.005","90","","96.57","0.14","90","","975","6","298","2","298","2","400000","","400000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.2232","0.0836","","","0.231","0.308","","","","","","0.916","","","","has coordinates,has disorder,has Fobs","273774","2022-03-18","02:54:21",""
"2108955","8.48","0.05","13.582","0.007","8.538","0.005","90","","99.2","0.17","90","","971","6","298","2","298","2","400000","","400000","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","1","","Bakowicz, Julia; Turowska-Tyrk, Ilona","The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001810","","","0.71073","MoKα","","0.3058","0.1398","","","0.3225","0.4046","","","","","","0.975","","","","has coordinates,has Fobs","273774","2022-03-18","02:54:23",""
"2108956","7.7242","0.0008","9.0042","0.0001","13.3769","0.0001","92.44","0.004","96.223","0.004","112.469","0.003","851.09","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N2 O24 -","- C32 H36 N2 O24 -","- C32 H36 N2 O24 -","1","0.5","","Pal, Rumpa; Jelsch, Christian; Momma, Koichi; Grabowsky, Simon","π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis","Acta Crystallographica Section B","2022","78","2","","","10.1107/S2052520622001457","","","0.71073","MoKα","","0.0309","0.0227","","","0.0284","0.0292","","","","","","1.333","","","","has coordinates,has Fobs","274056","2022-03-29","01:36:40",""
"2108957","52.879","0.0014","52.879","0.0014","5.36308","0.00013","90","","90","","120","","12987.1","0.6","298","","298","","","","","","","","","3","R -3 :H","-R 3","148","<i>N</i>,<i>N</i>',<i>N</i>''-Tributyldiindolocarbazole","5,8,14-Tributyldiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole","","- C36 H39 N3 -","- C36 H39 N3 -","- C648 H702 N54 -","18","1","AW5063","Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina","Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole","Acta Crystallographica Section B","2022","78","2","253","260","10.1107/S2052520622001858","powder diffraction","","1.5418","Cukα","","","","","","","","","0.0354","4.0539","","","","","","","has coordinates","274413","2022-04-07","01:45:24",""
"2108958","20.6752","0.0012","3.7474","0.0001","25.1061","0.0015","90","0.003","111.624","0.006","90","0.003","1808.28","0.18","95","0.1","95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 O2 S -","- C24 H14 N4 O2 S -","- C96 H56 N16 O8 S4 -","4","1","","Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A.","A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties","Acta Crystallographica Section B","2022","78","2","261","269","10.1107/S2052520622001846","","x-ray","0.71073","MoKα","","0.0767","0.0388","","","0.0391","0.0427","","","","1.77","1.77","1.42","","","","has coordinates,has Fobs","274414","2022-04-07","01:45:57",""
"2108959","20.7891","0.0016","3.8267","0.0002","25.145","0.002","90","0.005","111.747","0.007","90","0.005","1858","0.2","295","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N4 O2 S -","- C24 H14 N4 O2 S -","- C96 H56 N16 O8 S4 -","4","1","","Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A.","A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties","Acta Crystallographica Section B","2022","78","2","261","269","10.1107/S2052520622001846","","x-ray","0.71073","MoKα","","0.0936","0.0372","","","0.0364","0.0417","","","","1.64","1.64","1.23","","","","has coordinates,has Fobs","274414","2022-04-07","01:45:58",""
"2108960","12.08917","0.00015","12.08917","0.00015","12.08917","0.00015","90","","90","","90","","1766.81","0.04","270","1","270","1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","RE Garnet","","","- Al5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75 -","- Al5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75 -","- Al40 Dy6 Gd6 Ho6 O96 Tb6 -","8","0.0833333","","Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya","Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002967","","x-ray","0.71073","MoKα","","0.0146","0.0137","","","0.0285","0.0288","","","","","","1.359","","","","has coordinates","274908","2022-05-05","01:44:41",""
"2108961","12.0516","0.0004","12.0516","0.0004","12.0516","0.0004","90","","90","","90","","1750.39","0.1","270","1","270","1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","RE Garnet","","","- Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 -","- Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 -","- Al40 Dy6 Gd6 Lu6 O96 Tb6 -","8","0.0833333","","Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya","Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002967","","x-ray","0.71073","MoKα","","0.0543","0.0539","","","0.142","0.1425","","","","","","1.859","","","","has coordinates","274908","2022-05-05","01:44:42",""
"2108962","12.0703","0.0003","12.0703","0.0003","12.0703","0.0003","90","","90","","90","","1758.55","0.08","270","1","270","1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","RE Garnet","","","- Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 -","- Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 -","- Al40 Dy6 Gd6 Lu6 O96 Tb6 -","8","0.0833333","","Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya","Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002967","","x-ray","0.71073","MoKα","","0.0138","0.0135","","","0.0293","0.0294","","","","","","1.444","","","","has coordinates","274908","2022-05-05","01:44:42",""
"2108963","11.8862","0.0003","13.1419","0.0003","18.8884","0.0004","90","","90","","90","","2950.51","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhetinic acid isopropyl ester","","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0443","0.0387","","","0.1026","0.114","","","","","","1.076","","","","has coordinates,has Fobs","274909","2022-05-05","01:45:49",""
"2108964","13.1807","0.0003","13.2466","0.0004","17.2198","0.0005","90","","90","","90","","3006.57","0.14","298","2","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhetinic acid isopropyl ester","","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0565","0.0544","","","0.1619","0.1656","","","","","","1.051","","","","has coordinates,has disorder","274909","2022-05-05","01:45:49",""
"2108965","13.02432","0.00014","12.99238","0.00013","16.69407","0.00019","90","","90","","90","","2824.92","0.05","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O4 -","- C32 H50 O4 -","- C128 H200 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0411","0.0394","","","0.1038","0.106","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","274909","2022-05-05","01:45:50",""
"2108966","12.9136","0.0002","13.7752","0.0003","18.7441","0.0004","90","","90","","90","","3334.34","0.11","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 N O5 -","- C36 H57 N O5 -","- C144 H228 N4 O20 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54178","CuKα","","0.0411","0.0374","","","0.0961","0.1004","","","","","","1.036","","","","has coordinates,has Fobs","274909","2022-05-05","01:45:50",""
"2108967","6.9129","0.0001","6.4872","0.0001","11.2465","0.0002","90","","90.4816","0.0015","90","","504.336","0.014","80","","80","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0292","0.0267","","","0.0734","0.075","","","","","","1.0223","","","","has coordinates","275356","2022-05-12","01:39:44",""
"2108968","6.9146","0.0001","6.4963","0.0001","11.252","0.0002","90","","90.49","0.0014","90","","505.414","0.014","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0286","0.0261","","","0.0699","0.0714","","","","","","1.0533","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108969","6.9165","0.0001","6.5072","0.0001","11.2575","0.0002","90","","90.4987","0.0013","90","","506.648","0.014","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0303","0.0279","","","0.0731","0.0748","","","","","","1.0408","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108970","6.9184","0.0001","6.5187","0.0001","11.2646","0.0002","90","","90.5108","0.0013","90","","508.002","0.014","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0327","0.0299","","","0.077","0.0793","","","","","","1.0395","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108971","6.9209","0.0001","6.5336","0.0001","11.2726","0.0002","90","","90.5215","0.0014","90","","509.708","0.014","164","","164","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0342","0.0309","","","0.0809","0.0833","","","","","","1.0397","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108972","6.9254","0.0001","6.5582","0.0001","11.2866","0.0002","90","","90.5441","0.0013","90","","512.593","0.014","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0377","0.0334","","","0.088","0.0917","","","","","","1.0317","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108973","6.9303","0.0001","6.5873","0.0001","11.3017","0.0003","90","","90.5672","0.0015","90","","515.92","0.017","240","","240","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0442","0.0387","","","0.1059","0.1106","","","","","","1.0134","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108974","6.935","0.0001","6.619","0.0001","11.3172","0.0002","90","","90.5886","0.0016","90","","519.463","0.014","280","","280","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0696","0.0574","","","0.1682","0.1874","","","","","","1.0455","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108975","6.9413","0.0001","6.6532","0.0002","11.3353","0.0003","90","","90.608","0.002","90","","523.46","0.02","320","","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.0952","0.0774","","","0.2052","0.2402","","","","","","1.0429","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108976","6.9484","0.0001","6.6942","0.0002","11.3547","0.0004","90","","90.618","0.002","90","","528.12","0.03","360","","360","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diamino-2,2-dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","WU5002","Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry","Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002700","","x-ray","0.66418","synchrotron","","0.1182","0.0949","","","0.2478","0.287","","","","","","1.0073","","","","has coordinates","275356","2022-05-12","01:39:45",""
"2108977","7.3806","0.0002","7.3806","0.0002","31.5783","0.0016","90","","90","","120","","1489.71","0.09","257","2","257","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 -","- C8.25015 H25.4988 Br1.5 Fe0.75 N4.5 O0.75 -","- C33.0006 H101.995 Br6 Fe3 N18 O3 -","4","0.111111","","Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm","Preliminary observations of the interplay of radiation damage with spin crossover","Acta Crystallographica Section B","2022","78","3 Part 1","","","10.1107/S205252062200467X","","x-ray","0.78405","synchrotron","","0.0424","0.0422","","","0.1227","0.123","","","","","","1.234","","","","has coordinates,has Fobs","275678","2022-05-28","01:40:04",""
"2108978","7.3869","0.0003","7.3869","0.0003","31.2243","0.0014","90","","90","","120","","1475.53","0.11","152","2","152","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 -","- C8.25015 H25.4988 Br1.5 Fe0.75 N4.5 O0.75 -","- C33.0006 H101.995 Br6 Fe3 N18 O3 -","4","0.111111","","Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm","Preliminary observations of the interplay of radiation damage with spin crossover","Acta Crystallographica Section B","2022","78","3 Part 1","","","10.1107/S205252062200467X","","x-ray","0.78405","synchrotron","","0.0517","0.0487","","","0.1349","0.1407","","","","","","1.093","","","","has coordinates,has Fobs","275678","2022-05-28","01:40:05",""
"2108979","7.4091","0.0004","7.4091","0.0004","31.216","0.002","90","","90","","120","","1484.02","0.15","83","2","83","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 -","- C8.25015 H25.4988 Br1.5 Fe0.75 N4.5 O0.75 -","- C33.0006 H101.995 Br6 Fe3 N18 O3 -","4","0.111111","","Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm","Preliminary observations of the interplay of radiation damage with spin crossover","Acta Crystallographica Section B","2022","78","3 Part 1","","","10.1107/S205252062200467X","","x-ray","0.78405","synchrotron","","0.0952","0.0863","","","0.227","0.2432","","","","","","1.138","","","","has coordinates,has Fobs","275678","2022-05-28","01:40:05",""
"2108980","10.321","0.003","15.231","0.004","15.663","0.004","82.73","0.006","80.201","0.005","71.847","0.006","2298.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 F12 I2 P2 -","- C42 H54 F12 I2 P2 -","- C84 H108 F24 I4 P4 -","2","1","","Zheng, Dan Ni; Szell, Patrick M. J.; Khiri, Safaa; Ovens, Jeffrey S.; Bryce, David L.","Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus···iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622004322","","","0.71073","MoKα","","0.2034","0.1226","","","0.163","0.1922","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","275737","2022-06-02","02:11:07",""
"2108981","12.3686","0.0002","12.3686","0.0002","21.1962","0.0004","90","","90","","120","","2808.21","0.08","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H24 Co2 N6 O15 -","- C6 H24 Co2 N6 O15 -","- C36 H144 Co12 N36 O90 -","6","1","YH5018","Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey","Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S205252062200405X","","x-ray","0.71073","MoKα","","0.0474","0.0318","","","0.0795","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","275738","2022-06-02","02:14:54",""
"2108982","7.56","0.0002","9.7304","0.0003","11.9386","0.0003","84.368","0.001","87.579","0.001","70.534","0.001","823.99","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Ir2 N6 O12 -","- C6 H18 Ir2 N6 O12 -","- C12 H36 Ir4 N12 O24 -","2","1","YH5018","Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey","Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S205252062200405X","","x-ray","0.71073","MoKα","","0.0274","0.0221","","","0.0544","0.0557","","","","","","1.006","","","","has coordinates,has Fobs","275738","2022-06-02","02:14:55",""
"2108983","10.2003","0.0008","10.2003","0.0008","29.408","0.004","90","","90","","120","","2649.9","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H30 Co Ir2 K3 N6 O30 -","- C12 H18 Co Ir2 K3 N6 O30 -","- C36 H54 Co3 Ir6 K9 N18 O90 -","3","0.166667","YH5018","Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey","Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~]","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S205252062200405X","","x-ray","0.71073","MoKα","","0.0205","0.0184","","","0.0417","0.0424","","","","","","1.111","","","","has coordinates,has Fobs","275738","2022-06-02","02:14:57",""
"2108984","12.05","0.008","8.11","0.003","31.47","0.018","90","","92.48","0.03","90","","3073","3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C68 H67 N4 O18 Zn2 -","- C68 H67 N4 O18 Zn2 -","- C136 H134 N8 O36 Zn4 -","2","0.5","LO5107","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","","0.82612","synchrotron","","0.1011","0.0912","","","0.2343","0.2468","","","","","","1.068","","","","has coordinates,has Fobs","275739","2022-06-02","02:16:27",""
"2108985","13.9887","0.0007","6.891","0.0002","14.3405","0.0007","90","","109.51","0.005","90","","1303","0.11","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 Cu N2 O12 -","- C22 H32 Cu N2 O12 -","- C44 H64 Cu2 N4 O24 -","2","1","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","x-ray","0.71073","MoKα","","0.0448","0.0376","","","0.0882","0.0939","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","275739","2022-06-02","02:16:28",""
"2108986","11.279","0.003","5.5252","0.0009","17.45","0.003","90","","96.84","0.02","90","","1079.7","0.4","298.5","","298.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cu N2 O8 -","- C22 H24 Cu N2 O8 -","- C44 H48 Cu2 N4 O16 -","2","0.5","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","","0.71073","MoKα","","0.1085","0.0584","","","0.125","0.1515","","","","","","1.036","","","","has coordinates,has Fobs","275739","2022-06-02","02:16:28",""
"2108987","7.245","0.0017","7.251","0.0012","16.014","0.003","91.685","0.011","97.664","0.007","112.798","0.008","765.6","0.3","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Cu N2 O9 -","- C34 H34 Cu N2 O9 -","- C34 H34 Cu N2 O9 -","1","1","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","","0.79986","synchrotron","","0.0613","0.06","","","0.157","0.1589","","","","","","1.042","","","","has coordinates,has Fobs","275739","2022-06-02","02:16:28",""
"2108988","13.9687","0.0007","6.8845","0.0003","14.3443","0.0007","90","","109.401","0.005","90","","1301.13","0.11","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 Cu N4 O9 -","- C22 H32 Cu N4 O9 -","- C44 H64 Cu2 N8 O18 -","2","1","","Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia","Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003912","","x-ray","0.71073","MoKα","","0.0887","0.0783","","","0.2122","0.2307","","","","","","1.086","","","","has coordinates","275739","2022-06-02","02:16:28",""
"2108989","9.5638","0.0001","9.5638","0.0001","7.579","0.0001","90","","90","","120","","600.349","0.012","90","0.1","90","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0296","0.0296","","","","1.08","1.08","1.08","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:33",""
"2108990","9.5635","0.0001","9.5635","0.0001","7.5823","0.0001","90","","90","","120","","600.572","0.012","199.99","0.19","199.99","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0113","0.0113","","","0.0303","0.0303","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108991","9.5642","0.0001","9.5642","0.0001","7.5883","0.0001","90","","90","","120","","601.136","0.012","293","0.11","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0122","0.0122","","","0.0321","0.0321","","","","1.04","1.04","1.04","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108992","9.565","0.0001","9.565","0.0001","7.5972","0.0001","90","","90","","120","","601.941","0.012","399.97","0.16","399.97","","","","","","","","","5","R 3 2 :H","R 3 2""","155","Samarium bismuth iron borate","Samarium bismuth triiron tetrakis(borate)","","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B4 Bi0.07 Fe3 O12 Sm0.93 -","- B12 Bi0.21 Fe9 O36 Sm2.79 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0123","0.0122","","","0.0293","0.0294","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108993","9.5665","0.0001","9.5665","0.0001","7.5911","0.0001","90","","90","","120","","601.647","0.012","293","","293","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Fe3 O12 Sm -","- B4 Fe3 O12 Sm -","- B12 Fe9 O36 Sm3 -","3","0.166667","XK5093","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A.","Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003948","","x-ray","0.71073","MoKα","","0.0091","0.0091","","","0.0263","0.0263","","","","1.02","1.02","1.02","","","","has coordinates,has Fobs","275740","2022-06-02","02:17:34",""
"2108994","10.4613","0.0003","31.2244","0.0008","12.2241","0.0003","90","","104.45","0.003","90","","3866.66","0.18","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-ium-4-yl)-1,4-dihydroquinoline-3-carboxylato]copper(II) sulfate heptahydrate,","","- C32 H50 Cu F2 N6 O17 S -","- C32 H49 Cu F2 N6 O17 S -","- C128 H196 Cu4 F8 N24 O68 S4 -","4","1","","Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique","Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003766","","","1.5418","CuKα","","0.0688","0.0472","","","0.122","0.1421","","","","","","1.005","","","","has coordinates,has Fobs","275741","2022-06-02","02:18:27",""
"2108995","7.3063","0.0003","10.8907","0.0005","16.4396","0.0005","90","","90.67","0.003","90","","1308.02","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitroimide)dinitratocopper(II)","","- C16 H26 Cu N8 O14 S2 -","- C16 H26 Cu N8 O14 S2 -","- C32 H52 Cu2 N16 O28 S4 -","2","0.5","","Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique","Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003766","","x-ray","0.71073","MoKα","","0.0605","0.0431","","","0.0935","0.1033","","","","","","1.058","","","","has coordinates,has Fobs","275741","2022-06-02","02:18:28",""
"2108996","16.0117","0.0009","9.6657","0.0009","17.4382","0.0009","90","","101.948","0.007","90","","2640.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C96 H128 N16 O40 -","8","1","LO5096","Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V.","Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003900","","","0.71073","MoKα","","0.0724","0.0426","","","0.095","0.1086","","","","","","1.027","","","","has coordinates","275742","2022-06-02","02:19:20",""
"2108997","14.3254","0.001","8.7613","0.0007","11.4085","0.0008","90","","112.48","0.008","90","","1323.07","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V.","Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid","Acta Crystallographica Section B","2022","78","3 Part 2","","","10.1107/S2052520622003900","","","0.71073","MoKα","","0.0702","0.0593","","","0.1648","0.1751","","","","","","1.103","","","","has coordinates,has Fobs","275742","2022-06-02","02:19:24",""
"2108998","6.0931","0.0004","3.4921","0.0002","11.8409","0.0007","90","0","103.842","0.002","90","0","244.63","0.03","100","","100","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","oxalic","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Davidson, Max L.; Grabowsky, Simon; Jayatilaka, Dylan","X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate","Acta Crystallographica Section B","2022","78","3 Part 1","397","415","10.1107/S2052520622004103","","","0.317295","","","0.018","0.018","","0.0226","0.0226","0.0226","0.0306","","1.3431","1.3431","1.3431","1.3431","","","","has coordinates,has disorder","275936","2022-06-09","01:52:32",""
"2108999","3.5885","0.0009","6.7605","0.0017","22.434","0.006","90","","92.748","0.008","90","","543.6","0.2","10","","10","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","SO5076","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0773","0.0432","","","0.0479","0.0502","","","","2.03","2.03","1.72","","","","has coordinates","275937","2022-06-09","01:56:56",""
"2109000","3.633","0.001","6.753","0.002","22.546","0.005","90","","92.39","0.02","90","","552.7","0.3","122","","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0759","0.0368","","","0.0456","0.0477","","","","2.48","2.48","1.97","","","","has coordinates","275937","2022-06-09","01:57:06",""
"2109001","14.3433","0.0009","3.6086","0.0002","10.6023","0.0007","90","","100.982","0.001","90","","538.72","0.06","10","","10","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0376","0.0333","","","0.0462","0.0467","","","","2.86","2.86","2.69","","","","has coordinates","275937","2022-06-09","01:57:06",""
"2109002","14.328","0.0003","3.633","0.0013","10.628","0.0017","90","","101.169","0.007","90","","542.7","0.2","122","","122","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0661","0.037","","","0.0558","0.0567","","","","3.35","3.35","2.73","","","","has coordinates","275937","2022-06-09","01:57:06",""
"2109003","7.1818","0.0007","3.6295","0.0004","10.6533","0.0011","90","","106.377","0.001","90","","266.43","0.05","10","","10","","","","","","","","","4","P 1 c 1","P -2yc","7","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.04","0.037","","","0.0419","0.0423","","","","2.04","2.04","1.98","","","","has coordinates","275937","2022-06-09","01:57:06",""
"2109004","7.173","0.0017","3.65","0.0013","10.686","0.002","90","","106.487","0.017","90","","268.27","0.13","122","","122","","","","","","","","","4","P 1 c 1","P -2yc","7","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0942","0.0474","","","0.0524","0.0545","","","","2.24","2.24","1.81","","","","has coordinates","275937","2022-06-09","01:57:07",""
"2109005","5.1026","0.0006","5.7083","0.0007","9.8487","0.0012","97.526","0.004","98.499","0.003","106.564","0.004","267.37","0.06","10","","10","","","","","","","","","4","P -1","-P 1","2","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.0818","0.0517","","","0.0575","0.0603","","","","2.2","2.2","1.89","","","","has coordinates","275937","2022-06-09","01:57:07",""
"2109006","5.128","0.0014","5.708","0.0012","9.857","0.004","97.45","0.03","98.04","0.03","106.55","0.02","269.45","0.15","122","","122","","","","","","","","","4","P -1","-P 1","2","Pyrazinamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C10 H10 N6 O2 -","2","1","","Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard","Dynamics and disorder: on the stability of pyrazinamide polymorphs","Acta Crystallographica Section B","2022","78","3 Part 1","416","424","10.1107/S2052520622004577","","x-ray","0.71073","MoKα","","0.054","0.0397","","","0.0635","0.0647","","","","2.85","2.85","2.6","","","","has coordinates","275937","2022-06-09","01:57:07",""
"2109007","16.8658","0.0005","9.3282","0.0003","3.63523","0.0001","90","","90","","90","","571.92","0.03","298","","298","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- H2 O8 V3 -","- H2 O8 V3 -","- H8 O32 V12 -","4","0.5","","Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone","Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006473","powder diffraction","","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.6453","","","","","","","","has coordinates,has Fobs","276888","2022-07-23","03:43:47",""
"2109008","16.879","0.0012","9.3325","0.0005","3.64357","0.00019","90","","90","","90","","573.95","0.06","298","","298","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- H2 Mo0.15 O8 V2.85 -","- H2 Mo0.15692 O8 V2.84308 -","- H8 Mo0.62768 O32 V11.3723 -","4","0.5","","Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone","Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006473","powder diffraction","","","'CuKα","","","","","","","","","7.0756","","","","","","","","has coordinates,has Fobs","276888","2022-07-23","03:43:48",""
"2109009","7.1158","0.0002","13.118","0.0003","14.9298","0.0004","91.25","0.002","91.505","0.002","99.452","0.002","1373.75","0.06","130","2","130","2","","","","","","","","3","P 1","P 1","1","methyl ester of oleanolic acid","","","- C31 H50 O3 -","- C31 H50 O3 -","- C62 H100 O6 -","2","2","RM5063","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0314","0.0313","","","0.084","0.0842","","","","","","1.033","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:18",""
"2109010","7.1484","0.0001","13.3087","0.0003","15.0523","0.0003","92.456","0.002","94.221","0.002","98.518","0.002","1410.28","0.05","130","2","130.15","","","","","","","","","3","P 1","P 1","1","ethyl ester of oleanolic acid","","","- C32 H52 O3 -","- C32 H52 O3 -","- C64 H104 O6 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0353","0.0349","","","0.0924","0.0927","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:19",""
"2109011","7.1965","0.0002","13.3283","0.0002","15.0866","0.0003","92.599","0.001","94.416","0.002","98.623","0.002","1424.08","0.05","130","2","130.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H50.57 O4 -","- C32 H50.568 O4 -","- C64 H101.136 O8 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0397","0.039","","","0.1001","0.1008","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:19",""
"2109012","7.1971","0.0002","13.5381","0.0003","15.4611","0.0004","94.146","0.002","96.768","0.002","96.674","0.002","1480.16","0.07","130","2","130","2","","","","","","","","3","P 1","P 1","1","isopropyl ester of oleanolic acid","","","- C33 H54 O3 -","- C33 H54 O3 -","- C66 H108 O6 -","2","2","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0335","0.0326","","","0.0843","0.0854","","","","","","1.029","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:19",""
"2109013","6.8066","0.0001","12.8648","0.0002","17.883","0.0003","90","","94.885","0.001","90","","1560.25","0.04","130","2","130.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","benzyl ester of oleanolic acid","","- C37 H54 O3 -","- C37 H54 O3 -","- C74 H108 O6 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.035","0.0331","","","0.0832","0.0852","","","","","","1.027","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109014","6.7857","0.0002","13","0.0003","17.8671","0.0004","90","","94.87","0.002","90","","1570.44","0.07","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","benzyl ester of 11-keto oleanolic acid","","","- C37 H52 O4 -","- C37 H52 O4 -","- C74 H104 O8 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0319","0.0311","","","0.08","0.0808","","","","","","1.025","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109015","6.8841","0.0001","12.2006","0.0001","17.7696","0.0002","90","","89.794","0.001","90","","1492.46","0.03","130","2","130","2","","","","","","","","3","P 1 21 1","P 2yb","4","n-butyl ester of oleanolic acid","","","- C34 H56 O3 -","- C34 H56 O3 -","- C68 H112 O6 -","2","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0343","0.0332","","","0.0874","0.0884","","","","","","1.044","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109016","12.1308","0.0005","12.7614","0.0003","20.027","0.0004","90","","90","","90","","3100.3","0.16","130","2","130.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","n-butyl ester of 11-keto oleanolic acid","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0779","0.075","","","0.2132","0.216","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:20",""
"2109017","10.7032","0.0001","16.2471","0.0002","17.3698","0.0003","90","","90","","90","","3020.54","0.07","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","n-butyl ester of 11-keto oleanolic acid","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0375","0.0364","","","0.0996","0.1009","","","","","","1.027","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109018","10.3008","0.0002","16.2751","0.0002","17.6374","0.0002","90","","90","","90","","2956.85","0.08","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","iso-butyl ester of oleanolic acid","","","- C34 H56 O3 -","- C34 H56 O3 -","- C136 H224 O12 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0356","0.034","","","0.0868","0.0892","","","","","","1.035","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109019","10.3043","0.0002","16.1852","0.0003","17.627","0.0004","90","","90","","90","","2939.78","0.1","130","2","130.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.039","0.0359","","","0.0887","0.0913","","","","","","1.054","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109020","20.4487","0.0009","7.4362","0.0002","20.4513","0.0009","90","","119.953","0.006","90","","2694.5","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","mimetite","","","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16 Pb6.66667 -","- As24 Cl8 O96 Pb40 -","6","3","TQ5003","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0717","0.0551","","","0.119","0.1288","","","","","","1.075","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:15",""
"2109021","10.2378","0.0003","20.4573","0.0007","7.4457","0.0002","90","","90","","120.039","0.005","1349.96","0.1","288","2","288","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","mimetite","","","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16.1067 Pb6.65733 -","- As12 Cl4 O48.32 Pb19.972 -","3","0.75","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0465","0.0394","","","0.0837","0.0861","","","","","","1.138","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109022","10.2398","0.0004","20.4774","0.0009","7.4554","0.0003","90","","90","","119.981","0.006","1354.1","0.13","273","2","273","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","mimetite","","","- As3 Cl O12 Pb5 -","- As3 Cl O12 Pb5 -","- As12 Cl4 O48 Pb20 -","4","1","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0411","0.0318","","","0.0683","0.0714","","","","","","1.05","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109023","10.2552","0.0003","20.4913","0.0006","7.4576","0.0002","90","","90","","119.993","0.002","1357.29","0.07","288","2","288","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","mimetite","- As2 Cl0.67 O8 Pb3.33 -","- As2 Cl0.666667 O8 Pb3.33333 -","- As12 Cl4 O48 Pb20 -","6","1.5","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0426","0.0327","","","0.0745","0.078","","","","","","1.056","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109024","10.2544","0.0004","20.5052","0.0007","7.4568","0.0002","90","","90","","119.971","0.005","1358.26","0.1","353","2","353","2","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","","mimetite","- As4 Cl1.33 O16 Pb6.67 -","- As4 Cl1.33333 O16 Pb6.66667 -","- As12 Cl4 O48 Pb20 -","3","0.75","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0395","0.0289","","","0.0658","0.0688","","","","","","1.079","","","","has coordinates,has Fobs","276890","2022-07-23","03:48:16",""
"2109025","10.2722","0.0003","10.2722","0.0003","7.4537","0.0003","90","","90","","120","","681.13","0.04","393","2","393","2","","","","","","","","4","P 63/m","-P 6c","176","mimetite","","","- As3 Cl O12 Pb5 -","- As3 Cl O12 Pb5 -","- As6 Cl2 O24 Pb10 -","2","0.166667","","Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.","Role of lone-pair electron localization in temperature-induced phase transitions in mimetite","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622006254","","","0.56087","AgKα","","0.0317","0.0265","","","0.0581","0.0594","","","","","","1.145","","","","has coordinates","276890","2022-07-23","03:48:16",""
"2109026","7.9341","0.0003","8.014","0.0003","15.3431","0.0006","90","","91.259","0.001","90","","975.34","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 N4 O2 Pb S -","- C21 H18 N4 O2 Pb S -","- C42 H36 N8 O4 Pb2 S2 -","2","1","LO5101","Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A.","The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative","Acta Crystallographica Section B","2022","78","4","685","694","10.1107/S2052520622005789","","","0.71073","MoKα","","0.0157","0.0146","","","0.033","0.0336","","","","","","1.045","","","","has coordinates,has Fobs","276974","2022-07-28","01:45:36",""
"2109027","9.7872","0.001","8.4868","0.0005","7.407","0.007","90","","100.43","0.03","90","","605.1","0.6","298","2","298","2","0","","0","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","XK5096","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.0567","","","0.1269","0.165","","","","","","1.093","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:09",""
"2109028","9.7823","0.0009","8.4929","0.0005","7.412","0.007","90","","100.44","0.03","90","","605.6","0.6","298","2","298","2","10000","","10000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.098","0.0576","","","0.1321","0.1526","","","","","","1.059","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:18",""
"2109029","9.7272","0.0009","8.4963","0.0005","7.332","0.007","90","","100.45","0.03","90","","595.9","0.6","298","2","298","2","360000","","360000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0847","0.0512","","","0.1126","0.1313","","","","","","1.058","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:38",""
"2109030","9.6758","0.0008","8.4905","0.0004","7.306","0.005","90","","100.43","0.03","90","","590.3","0.4","293","2","293","2","510000","","510000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1044","0.06","","","0.1358","0.1738","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:43",""
"2109031","9.6118","0.0008","8.4921","0.0004","7.251","0.005","90","","100.4","0.03","90","","582.1","0.4","293","2","293","2","880000","","880000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0926","0.0525","","","0.1197","0.1476","","","","","","1.078","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:45",""
"2109032","9.5551","0.0009","8.501","0.0005","7.182","0.006","90","","100.35","0.03","90","","573.9","0.5","293","2","293","2","1210000","","1210000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0972","0.0576","","","0.1291","0.1568","","","","","","1.051","","","","has coordinates,has Fobs","277573","2022-09-02","01:50:51",""
"2109033","9.4961","0.0009","8.5028","0.0005","7.127","0.006","90","","100.38","0.03","90","","566","0.5","293","2","293","2","1630000","","1630000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0947","0.0554","","","0.1297","0.1607","","","","","","1.06","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:08",""
"2109034","9.4462","0.001","8.5075","0.0006","7.057","0.007","90","","100.46","0.03","90","","557.7","0.6","293","2","293","2","1940000","","1940000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0912","0.0533","","","0.1289","0.1522","","","","","","1.094","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:13",""
"2109035","9.3869","0.0008","8.5115","0.0004","6.98","0.005","90","","100.5","0.03","90","","548.3","0.4","293","2","293","2","","","2460000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2.66667 H10.6667 N1.33333 O6.66667 P1.33333 -","- C8 H32 N4 O20 P4 -","3","0.75","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0856","0.0511","","","0.1115","0.1325","","","","","","1.061","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:27",""
"2109036","9.3265","0.0008","8.5118","0.0005","6.889","0.006","90","","100.68","0.03","90","","537.4","0.5","293","2","293","2","3080000","","3080000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0855","0.0536","","","0.1166","0.1417","","","","","","1.095","","","","has coordinates,has Fobs","277573","2022-09-02","01:51:39",""
"2109037","9.2779","0.0011","8.5031","0.0006","6.835","0.007","90","","100.76","0.04","90","","529.7","0.6","293","2","293","2","3600000","","3600000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0934","0.0558","","","0.1248","0.1444","","","","","","1.097","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:04",""
"2109038","9.2492","0.001","8.5144","0.0006","6.769","0.006","90","","100.94","0.03","90","","523.4","0.5","293","2","293","2","4060000","","4060000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0946","0.0516","","","0.1142","0.1335","","","","","","1.037","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:20",""
"2109039","9.2008","0.0008","8.5014","0.0005","6.745","0.005","90","","100.94","0.03","90","","518","0.4","293","2","293","2","4540000","","4540000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.117","0.0659","","","0.1507","0.1865","","","","","","1.154","","","","has coordinates,has Fobs","277573","2022-09-02","01:52:45",""
"2109040","9.1703","0.001","8.4987","0.0005","6.695","0.006","90","","101.01","0.03","90","","512.2","0.5","293","2","293","2","5000000","","5000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.0993","0.057","","","0.1252","0.149","","","","","","1.039","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:03",""
"2109041","9.1302","0.0011","8.4972","0.0005","6.657","0.007","90","","101","0.04","90","","507","0.5","293","2","293","2","5520000","","5520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1194","0.0672","","","0.1435","0.1774","","","","","","1.053","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:17",""
"2109042","9.1044","0.0014","8.4959","0.0008","6.628","0.009","90","","100.98","0.05","90","","503.3","0.7","293","2","293","2","6000000","","6000000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1258","0.0714","","","0.1586","0.189","","","","","","1.079","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:32",""
"2109043","9.07","0.0017","8.4856","0.0009","6.61","0.011","90","","100.98","0.06","90","","499.4","0.8","293","2","293","2","6520000","","6520000","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","","Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V.","The effect of hydrostatic compression on the crystal structure of glycinium phosphite","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008289","","x-ray","0.71073","MoKα","","0.1422","0.0752","","","0.1739","0.2197","","","","","","1.074","","","","has coordinates,has Fobs","277573","2022-09-02","01:53:36",""
"2109044","16.4064","0.0014","8.7386","0.0009","14.8229","0.0014","90","","104.983","0.003","90","","2052.9","0.3","99.99","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 S -","- C23 H30 N2 S -","- C92 H120 N8 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0435","0.0368","","","0.0899","0.0972","","","","","","1.032","","","","has coordinates,has Fobs","277574","2022-09-02","02:02:50",""
"2109045","17.4279","0.0004","15.2522","0.0004","31.0253","0.0007","90","","90","","90","","8247","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N2 Se -","- C23 H30 N2 Se -","- C368 H480 N32 Se16 -","16","2","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0517","0.0361","","","0.0721","0.0777","","","","","","1.027","","","","has coordinates,has Fobs","277574","2022-09-02","02:02:57",""
"2109046","13.0884","0.0006","12.976","0.0005","14.4293","0.0007","90","","113.028","0.002","90","","2255.32","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N3 S -","- C25 H33 N3 S -","- C100 H132 N12 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0483","0.0383","","","0.0865","0.0956","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:02",""
"2109047","13.1365","0.0003","13.3024","0.0002","14.2478","0.0003","90","","113.156","0.0007","90","","2289.18","0.08","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N3 Se -","- C25 H33 N3 Se -","- C100 H132 N12 Se4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0332","0.0257","","","0.0563","0.0611","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:13",""
"2109048","7.9505","0.0004","8.5048","0.0004","18.2812","0.0009","81.04","0.003","89.926","0.002","85.125","0.002","1216.54","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I2 N2 S -","- C23 H30 I2 N2 S -","- C46 H60 I4 N4 S2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0405","0.0344","","","0.0696","0.0717","","","","","","1.121","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:16",""
"2109049","8.0282","0.0006","8.4305","0.0008","18.3525","0.0016","81.814","0.004","89.706","0.004","85.171","0.004","1225.08","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I2 N2 Se -","- C23 H30 I2 N2 Se -","- C46 H60 I4 N4 Se2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0314","0.0229","","","0.0446","0.0491","","","","","","1.1","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:24",""
"2109050","8.3022","0.0009","11.351","0.0011","15.5656","0.0016","83.691","0.004","87.18","0.004","75.024","0.004","1408.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I4 N2 S -","- C23 H30 I4 N2 S -","- C46 H60 I8 N4 S2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0206","0.0172","","","0.0369","0.0392","","","","","","1.183","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2109051","11.0063","0.0007","22.9632","0.0014","11.1015","0.0006","90","","93.024","0.002","90","","2801.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 I4 N2 Se -","- C23 H30 I4 N2 Se -","- C92 H120 I16 N8 Se4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0753","0.0624","","","0.1194","0.1269","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:24",""
"2109052","8.4541","0.0004","8.5353","0.0004","22.0045","0.0011","93.258","0.002","90.198","0.002","98.032","0.002","1569.59","0.13","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl2 I4 N2 Se -","- C24 H32 Cl2 I4 N2 Se -","- C48 H64 Cl4 I8 N4 Se2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0239","0.0193","","","0.0398","0.0426","","","","","","1.13","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109053","13.2501","0.0006","11.0708","0.0006","45.509","0.003","90","","96.722","0.002","90","","6629.8","0.6","100.01","","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 I5 N2 O Se -","- C26 H35 I5 N2 O Se -","- C208 H280 I40 N16 O8 Se8 -","8","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0772","0.067","","","0.1363","0.1419","","","","","","1.098","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109054","8.7838","0.0008","14.2194","0.0015","15.1418","0.0015","63.522","0.003","74.494","0.004","80.494","0.004","1628.9","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H41 I3 N2 O S -","- C29 H41 I3 N2 O S -","- C58 H82 I6 N4 O2 S2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0553","0.0331","","","0.057","0.0691","","","","","","1.195","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109055","8.8091","0.0005","14.2584","0.0008","15.1228","0.0009","63.952","0.002","74.061","0.002","81.113","0.002","1639.67","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H41 I3 N2 O Se -","- C29 H41 I3 N2 O Se -","- C58 H82 I6 N4 O2 Se2 -","2","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0329","0.0243","","","0.0466","0.0515","","","","","","1.142","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109056","7.6668","0.0005","16.8546","0.0011","22.3786","0.0015","90","","90","","90","","2891.8","0.3","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 F4 I2 N2 S -","- C29 H30 F4 I2 N2 S -","- C116 H120 F16 I8 N8 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0288","0.0253","","","0.0554","0.0583","","","","","","1.104","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109057","8.208","0.0002","12.9974","0.0002","27.2463","0.0005","90","","90","","90","","2906.71","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 F4 I2 N2 S -","- C29 H30 F4 I2 N2 S -","- C116 H120 F16 I8 N8 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0381","0.0313","","","0.06","0.0646","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:25",""
"2109058","8.2583","0.0002","12.9953","0.0004","27.224","0.0007","90","","90","","90","","2921.65","0.14","99.99","","99.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 F4 I2 N2 Se -","- C29 H30 F4 I2 N2 Se -","- C116 H120 F16 I8 N8 Se4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0253","0.0219","","","0.0423","0.0443","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:25",""
"2109059","39.0981","0.0014","17.0474","0.0006","7.3957","0.0002","90","","94.344","0.001","90","","4915.2","0.3","99.99","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 F4 I2 N4 S2 -","- C52 H60 F4 I2 N4 S2 -","- C208 H240 F16 I8 N16 S8 -","4","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0412","0.0285","","","0.0529","0.0613","","","","","","1.159","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:25",""
"2109060","39.058","0.004","17.2429","0.0014","7.4287","0.0006","90","","94.012","0.004","90","","4990.8","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 F4 I2 N4 Se2 -","- C52 H60 F4 I2 N4 Se2 -","- C208 H240 F16 I8 N16 Se8 -","4","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0446","0.0312","","","0.0585","0.068","","","","","","1.237","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109061","7.502","0.0007","12.2475","0.0011","14.478","0.0013","104.905","0.003","95.822","0.003","104.609","0.003","1224.1","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 F4 I2 N4 S2 -","- C52 H60 F4 I2 N4 S2 -","- C52 H60 F4 I2 N4 S2 -","1","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0391","0.0296","","","0.0541","0.06","","","","","","1.133","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109062","7.5969","0.0004","12.1995","0.0007","14.4439","0.0008","104.613","0.0018","95.7464","0.0019","104.119","0.0018","1237.43","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 F4 I2 N4 Se2 -","- C52 H60 F4 I2 N4 Se2 -","- C52 H60 F4 I2 N4 Se2 -","1","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0183","0.0168","","","0.0405","0.0414","","","","","","1.065","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109063","13.3377","0.0006","15.2129","0.0006","13.0613","0.0005","90","","109.998","0.001","90","","2490.41","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 F4 I2 N4 S2 -","- C52 H60 F4 I2 N4 S2 -","- C104 H120 F8 I4 N8 S4 -","2","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.029","0.024","","","0.0518","0.0558","","","","","","1.095","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:25",""
"2109064","39.226","0.004","7.9811","0.0009","30.341","0.004","90","","106.162","0.004","90","","9123.3","1.8","99.99","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H90 F9 I9 N6 S3 -","- C87 H90 F9 I9 N6 S3 -","- C348 H360 F36 I36 N24 S12 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0603","0.0533","","","0.1144","0.1171","","","","","","1.27","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:29",""
"2109065","8.0412","0.0006","30.07","0.002","12.4774","0.001","90","","92.632","0.003","90","","3013.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 F3 I3 N2 Se -","- C29 H30 F3 I3 N2 Se -","- C116 H120 F12 I12 N8 Se4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0457","0.0306","","","0.0548","0.0635","","","","","","1.173","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:29",""
"2109066","7.8472","0.0005","16.1751","0.0013","21.7956","0.0019","90","","90","","90","","2766.5","0.4","100.01","","100.01","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H30 F5 I N2 S -","- C29 H30 F5 I N2 S -","- C116 H120 F20 I4 N8 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0369","0.0281","","","0.0565","0.0628","","","","","","1.117","","","","has coordinates,has Fobs","277574","2022-09-02","02:03:29",""
"2109067","25.9292","0.0014","8.0709","0.0004","20.4309","0.0011","90","","113.037","0.002","90","","3934.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 F25 I5 N4 Se2 -","- C76 H60 F25 I5 N4 Se2 -","- C152 H120 F50 I10 N8 Se4 -","2","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0277","0.0236","","","0.0512","0.0528","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:29",""
"2109068","7.917","0.0006","11.6457","0.0008","15.0306","0.001","67.358","0.002","83.953","0.002","72.067","0.002","1216.73","0.15","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 I2 N2 S -","- C24 H30 I2 N2 S -","- C48 H60 I4 N4 S2 -","2","1","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0362","0.0318","","","0.067","0.0704","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:29",""
"2109069","7.9777","0.0005","11.7334","0.0007","15.0059","0.0009","67.54","0.002","82.671","0.002","71.632","0.002","1231.91","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 I4 N4 Se2 -","- C48 H60 I4 N4 Se2 -","- C48 H60 I4 N4 Se2 -","1","0.5","","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0341","0.0296","","","0.0612","0.065","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:29",""
"2109070","10.149","0.0013","10.149","0.0013","6.7957","0.0018","90","","90","","120","","606.19","0.19","294","","294","","","","","","","","synthetic","4","P 63/m","-P 6c","176","","","","- Ca5 Cl O12 V3 -","- Ca5 Cl O12 V3 -","- Ca10 Cl2 O24 V6 -","2","0.166667","","Matsuura, Mimiko; Okudera, Hiroki","Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008095","powder diffraction","","0.71069","Mo-Kα","","","0.0188","","","","0.0178","","","","","","0.3924","","","","has coordinates,has Fobs","277758","2022-09-10","01:16:55",""
"2109071","9.5773","0.0005","9.5773","0.0005","6.8033","0.0006","90","","90","","120","","540.43","0.06","294","","294","","","","","","","","synthetic","5","P 63/m","-P 6c","176","","","","- Ca4.78 Cl0.78 Na0.22 O12 P3 -","- Ca4.78 Cl0.78 Na0.22 O12 P3 -","- Ca9.56 Cl1.56 Na0.44 O24 P6 -","2","0.166667","","Matsuura, Mimiko; Okudera, Hiroki","Structures of Ca~5~(VO~4~)~3~Cl and Ca~4.78(1)~Na~0.22~(PO~4~)~3~Cl~0.78~: positions of channel anions and repulsion on the anion in apatite-type compounds","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008095","powder diffraction","","0.71069","Mo-Kα","","","0.0269","","","","0.0286","","","","","","0.8593","","","","has coordinates,has Fobs","277758","2022-09-10","01:16:55",""
"2109073","8.6385","0.0001","6.6817","","11.6069","0.0001","90","","107.466","0.001","90","","639.061","0.01","100","0.11","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyanuric acid dihydrate","1,3,5-triazine-2,4,6-triol","","- C3 H7 N3 O5 -","- C3 H7 N3 O5 -","- C12 H28 N12 O20 -","4","0.5","PX5048","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","","0.71073","MoKα","","0.017","0.017","","","","0.034","","","","","","0.995","","","","has coordinates,has Fobs","278939","2022-11-04","02:48:41",""
"2109074","8.0808","0.0003","8.1662","0.0003","20.3821","0.0008","90","","90","","90","","1345","0.09","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","x-ray","0.71073","MoKα","","0.0301","0.0218","","","0.0436","0.0462","","","","","","0.939","","","","has coordinates,has Fobs","278939","2022-11-04","02:48:45",""
"2109075","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","triptycene","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","neutron","","neutron","","0.0629","0.0627","","","0.0987","0.0989","","","","4.38","4.38","4.39","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2109076","9.246","0.0014","12.2731","0.0018","3.0092","0.0005","90","","90","","90","","341.48","0.09","293","","293","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3 -","- Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3 -","- Al0.4 B4 Fe1.8 Mg8.6 O20 Ti1.2 -","4","0.5","","Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Cherosov, Mikhail A.; Bubnova, Rimma S.; Vagizov, Farit G.; Krzhizhanovskaya, Maria G.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.","X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe^2+^)~2~(Fe^3+^,Ti,Mg,Al)O~2~(BO~3~): an <i>in situ</i> temperature-dependent investigation (5 {łeq} <i>T</i> {łeq} 1650K)","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009349","","x-ray","0.71069","MoKα","","0.0601","0.0497","","","0.0679","0.069","","","","3.02","3.02","2.76","","","","has coordinates","278940","2022-11-04","02:49:47",""
"2109077","5.5329","0.0005","9.9018","0.001","7.0147","0.0007","90","","100.309","0.009","90","","378.1","0.06","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0272","0.0211","","","0.0416","0.0433","","","","","","1.044","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:47",""
"2109078","5.5204","0.0005","9.8941","0.0008","6.9655","0.0006","90","","100.34","0.009","90","","374.27","0.06","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0277","0.022","","","0.0481","0.0506","","","","","","1.094","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:47",""
"2109079","5.5087","0.0004","9.8814","0.0008","6.9315","0.0006","90","","100.379","0.008","90","","371.13","0.05","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0252","0.0211","","","0.0469","0.0484","","","","","","1.082","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:47",""
"2109080","5.2831","0.0006","9.491","0.0009","6.5957","0.0006","90","","100.623","0.011","90","","325.05","0.06","295","2","295","2","","","1830000","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0183","0.0163","","","0.0423","0.0425","","","","","","1.245","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:47",""
"2109081","5.2524","0.0006","9.4479","0.0012","6.535","0.0006","90","","100.664","0.01","90","","318.69","0.06","295","2","295","2","","","2130000","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0194","0.0189","","","0.0518","0.0521","","","","","","1.15","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:47",""
"2109082","5.173","0.0008","9.3305","0.0018","6.3822","0.0009","90","","100.777","0.017","90","","302.61","0.09","295","2","295","2","","","3070000","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0358","0.0314","","","0.0867","0.0892","","","","","","1.174","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:48",""
"2109083","5.107","0.003","9.206","0.007","6.285","0.003","90","","101.08","0.06","90","","290","0.3","295","2","295","2","","","3870000","","","","","3","P 1 21/n 1","-P 2yn","14","","bromoethane","","- C2 H5 Br -","- C2 H5 Br -","- C8 H20 Br4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0747","0.0584","","","0.129","0.1346","","","","","","1.226","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109084","5.85463","0.00016","10.1532","0.0003","7.2722","0.0002","90","","102.701","0.003","90","","421.71","0.02","140","0.1","140","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0123","0.0119","","","0.027","0.0272","","","","","","1.246","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109085","5.83962","0.00016","10.1442","0.0003","7.2368","0.0002","90","","102.705","0.003","90","","418.2","0.02","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0119","0.0115","","","0.0253","0.0254","","","","","","1.272","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109086","5.82719","0.00015","10.1348","0.0002","7.20284","0.00019","90","","102.711","0.003","90","","414.956","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0112","0.011","","","0.023","0.0231","","","","","","1.314","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109087","5.5767","0.0013","9.7073","0.0006","6.8424","0.0003","90","","102.262","0.01","90","","361.96","0.09","295","2","295","2","","","1880000","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0268","0.0256","","","0.0682","0.0685","","","","","","1.256","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109088","5.5292","0.0009","9.6336","0.0007","6.7597","0.0002","90","","102.209","0.008","90","","351.92","0.06","295","2","295","2","","","2400000","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0379","0.0375","","","0.1374","0.1378","","","","","","1.38","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109089","5.4696","0.0008","9.5403","0.0006","6.6492","0.0006","90","","102.28","0.013","90","","339.03","0.06","295","2","295","2","","","3180000","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.0355","0.0352","","","0.0968","0.0969","","","","","","1.324","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109090","5.4335","0.0011","9.4863","0.0007","6.584","0.0004","90","","102.191","0.012","90","","331.71","0.08","295","2","295","2","","","3620000","","","","","3","P 1 21/n 1","-P 2yn","14","","iodoethane","","- C2 H5 I -","- C2 H5 I -","- C8 H20 I4 -","4","1","AW5073","Bujak, Maciej; Olejniczak, Anna; Podsiadło, Marcin","Evolution of intermolecular contacts with temperature and pressure in bromoethane and iodoethane – a comparative study","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622010149","","","0.71073","MoKα","","0.027","0.0263","","","0.0696","0.07","","","","","","1.357","","","","has coordinates,has Fobs","279168","2022-11-10","02:38:50",""
"2109091","7.0381","0.0001","12.2643","0.0002","12.4636","0.0002","103.215","0.001","97.797","0.001","93.497","0.001","1032.92","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cl N4 O6 -","- C19 H21 Cl N4 O6 -","- C38 H42 Cl2 N8 O12 -","2","1","AW5075","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0752","0.0438","","","0.1047","0.1167","","","","","","1.056","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:14",""
"2109092","8.7472","0.0003","16.9734","0.0005","13.248","0.0004","90","","94.886","0.001","90","","1959.78","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0645","0.0512","","","0.1351","0.1445","","","","","","1.06","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:15",""
"2109093","6.9734","0.0003","11.254","0.0005","13.4029","0.0006","89.949","0.002","82.689","0.002","74.261","0.002","1003.55","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C42 H50 N6 O8 -","2","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0492","0.0393","","","0.0992","0.1074","","","","","","1.035","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:18",""
"2109094","6.9538","0.0003","18.9491","0.0008","15.9042","0.0007","90","","99.261","0.002","90","","2068.35","0.15","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O8 -","- C19 H21 N5 O8 -","- C76 H84 N20 O32 -","4","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0701","0.0539","","","0.1288","0.1395","","","","","","1.074","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:18",""
"2109095","6.9773","0.0004","20.6482","0.0011","10.5035","0.0005","90","","98.764","0.002","90","","1495.56","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N3 O4 -","- C14 H20 N3 O4 -","- C56 H80 N12 O16 -","4","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0533","0.0437","","","0.1045","0.1125","","","","","","1.027","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:18",""
"2109096","6.8701","0.0003","12.1647","0.0006","12.1779","0.0006","101.13","0.002","92.818","0.002","105.005","0.002","959.26","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0579","0.045","","","0.12","0.1357","","","","","","1.071","","","","has coordinates,has Fobs","279169","2022-11-10","02:41:18",""
"2109097","8.5777","0.0005","17.5407","0.0009","13.22","0.0008","90","","96.605","0.002","90","","1975.86","0.19","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O6 -","- C19 H23 N3 O6 -","- C76 H92 N12 O24 -","4","1","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","x-ray","0.71073","MoKα","","0.0425","0.0377","","","0.1009","0.1049","","","","","","0.993","","","","has coordinates","279169","2022-11-10","02:41:18",""
"2109098","41.7","0.002","8.2992","0.0004","12.9536","0.0008","90","","97.033","0.002","90","","4449.2","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 N6 O13 -","- C45 H52 N6 O13 -","- C180 H208 N24 O52 -","4","0.5","","Scheepers, Matthew Clarke; Lemmerer, Andreas","Design of a series of cocrystals featuring isoniazid modified with diacetone alcohol","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622009532","","","0.71073","MoKα","","0.0704","0.056","","","0.1366","0.1502","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","279169","2022-11-10","02:41:18",""
"2243944","6.8913","0.0005","7.6898","0.0005","19.7527","0.0014","90","","90","","90","","1046.75","0.13","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-Baclofen","(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","YZ2013","Belov, Feodor; Villinger, Alexander; von Langermann, Jan","(<i>R</i>)-Baclofen [(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid]","Acta Crystallographica Section E","2022","78","1","33","35","10.1107/S2056989021012809","","","0.71073","MoKα","","0.0405","0.0334","","","0.0787","0.0817","","","","","","1.072","","","","has coordinates,has Fobs","272814","2022-02-06","04:34:17",""
"2243945","8.6382","0.0003","9.8182","0.0003","12.1922","0.0004","77.2839","0.0012","85.1708","0.0011","74.7224","0.001","972.65","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","(<i>E</i>)-2-Benzyl-1,3-diphenylisothiouronium iodide","<i>N</i>-[(Benzylsulfanyl)(phenylamino)methylidene]anilinium iodide","","- C20 H19 I N2 S -","- C20 H19 I N2 S -","- C40 H38 I2 N4 S2 -","2","1","HB7997","Kang, Sungmin; Kim, Taek Hyeon; Kwak, Chee-Hun","Synthesis and crystal structure of (<i>E</i>)-2-benzyl-1,3-diphenylisothiouronium iodide","Acta Crystallographica Section E","2022","78","1","51","53","10.1107/S2056989021013086","","","0.71073","MoKα","","0.0271","0.0253","","","0.0612","0.0625","","","","","","1.092","","","","has coordinates,has Fobs","272815","2022-02-06","04:35:05",""
"2243946","11.7685","0.0003","16.3641","0.0003","16.3798","0.0003","90","","110.646","0.002","90","","2951.85","0.11","566","2","566","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4-oxo-<i>N</i>-phenyl-3,4-dihydroquinazoline-2-carbothioamide","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","2","WM5629","Pirnazarova, Nasiba; Yakubov, Ubaydullo; Allabergenova, Sevara; Tojiboev, Akmaljon; Turgunov, Kambarali; Elmuradov, Burkhon","Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-<i>N</i>-phenyl-3,4-dihydroquinazoline-2-carbothioamide","Acta Crystallographica Section E","2022","78","1","47","50","10.1107/S2056989021013116","","","1.54184","CuKα","","0.0496","0.0424","","","0.1153","0.1209","","","","","","1.057","","","","has coordinates,has Fobs","272817","2022-02-06","04:36:16",""
"2243947","8.2422","0.0003","8.3075","0.0004","8.294","0.0004","94.149","0.002","103.012","0.001","104.909","0.001","529.55","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","Bis(4,5-dihydrofuran-2-yl)dimethylsilane","","- C10 H16 O2 Si -","- C10 H16 O2 Si -","- C20 H32 O4 Si2 -","2","1","VM2257","Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten","Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021012548","","x-ray","0.71073","MoKα","","0.0291","0.0257","","","0.0858","0.0889","","","","","","1.063","","","","has coordinates,has Fobs","271437","2021-12-15","03:08:07",""
"2243948","8.7737","0.0004","9.1715","0.0004","9.813","0.0004","102.219","0.002","90.613","0.002","110.28","0.002","720.85","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","(4,5-Dihydrofuran-2-yl)(methyl)diphenylsilane","","- C17 H18 O Si -","- C17 H18 O Si -","- C34 H36 O2 Si2 -","2","1","","Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten","Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021012548","","x-ray","0.71073","MoKα","","0.0497","0.0398","","","0.0964","0.1049","","","","","","1.062","","","","has coordinates,has Fobs","271437","2021-12-15","03:08:08",""
"2243949","17.3298","0.0008","14.1856","0.0007","6.5857","0.0003","90","","90","","90","","1618.99","0.13","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","YK2159","Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021012640","","","0.71073","MoKα","","0.0617","0.0414","","","0.0898","0.0964","","","","","","1.014","","","","has coordinates,has Fobs","271438","2021-12-15","03:08:39",""
"2243950","5.6987","0.0013","8.311","0.002","8.453","0.002","90","","106.954","0.009","90","","382.95","0.16","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethanediamine","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethane-1,2-diamine","","- C6 H16 N2 -","- C6 H16 N2 -","- C12 H32 N4 -","2","0.5","HB8002","Schrimpf, Tobias; Otte, Felix; Strohmann, Carsten","Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethanediamine","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021012457","","x-ray","0.71073","MoKα","","0.0482","0.038","","","0.103","0.1097","","","","","","1.049","","","","has coordinates,has Fobs","271439","2021-12-15","03:09:01",""
"2243951","11.8528","0.0011","10.9022","0.001","24.927","0.002","90","","93.057","0.002","90","","3216.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(1,2,3,4-η)-Anthracene]tris(2,6-dimethylphenyl isocyanide)iron","","- C41 H37 Fe N3 -","- C41 H37 Fe N3 -","- C164 H148 Fe4 N12 -","4","1","YZ2014","Brennessel, William W.; Ellis, John E.","Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)","Acta Crystallographica Section E","2022","78","1","","","10.1107/S205698902101313X","","","0.71073","MoKα","","0.0968","0.0597","","","0.1089","0.1202","","","","","","1.05","","","","has coordinates,has Fobs","271492","2021-12-17","02:58:31",""
"2243952","13.8912","0.001","15.4941","0.0011","19.7902","0.0014","85.342","0.003","74.001","0.003","70.884","0.003","3868.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{5,6-Bis(2,6-dimethylanilino)-3-(2,6-dimethylphenyl)-1,2,7-tris[(2,6-dimethylphenyl)imino]-3-azoniahept-3-ene-1,4,7-triido}tris(2,6-dimethylphenyl isocyanide)iron tetrahydrofuran disolvate","","- C89 H99 Fe N9 O2 -","- C89 H99 Fe N9 O2 -","- C178 H198 Fe2 N18 O4 -","2","1","YZ2014","Brennessel, William W.; Ellis, John E.","Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)","Acta Crystallographica Section E","2022","78","1","","","10.1107/S205698902101313X","","","0.71073","MoKα","","0.0842","0.0513","","","0.119","0.1357","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","271492","2021-12-17","02:58:32",""
"2243953","10.784","0.003","9.754","0.003","21.783","0.007","90","","91.864","0.004","90","","2290.1","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(7-Methylindolin-1-ido-κ<i>N</i>)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C21 H32 K N O6 -","- C21 H32 K N O6 -","- C84 H128 K4 N4 O24 -","4","1","YZ2014","Brennessel, William W.; Ellis, John E.","Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)","Acta Crystallographica Section E","2022","78","1","","","10.1107/S205698902101313X","","","0.71073","MoKα","","0.0866","0.0586","","","0.149","0.1698","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","271492","2021-12-17","02:58:32",""
"2243954","10.6287","0.0005","12.374","0.0004","17.5419","0.0007","90","","92.836","0.003","90","","2304.28","0.16","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-[(2-Carboxyphenylamino)methylidene]pentane-2,4-dione","2-[(2-Acetyl-3-oxobut-1-en-1-yl)amino]benzoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","1","WM5628","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013050","","","0.71073","MoKα","","0.0507","0.0463","","","0.1209","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","271493","2021-12-17","02:59:23",""
"2243955","11.488","0.0004","6.4726","0.0003","15.2012","0.0005","90","","90","","90","","1130.32","0.08","170","","170","","","","","","","","","4","P n m a","-P 2ac 2n","62","3-[(3-Carboxyphenylamino)methylidene]pentane-2,4-dione","3-[(2-Acetyl-3-oxobut-1-en-1-yl)amino]benzoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","0.5","","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013050","","","0.71073","MoKα","","0.0546","0.044","","","0.1169","0.1277","","","","","","1.083","","","","has coordinates,has Fobs","271493","2021-12-17","02:59:24",""
"2243956","10.8649","0.0006","10.6185","0.0005","11.3616","0.0006","90","","118.422","0.004","90","","1152.78","0.11","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-[(4-Carboxyphenylamino)methylidene]pentane-2,4-dione","4-[(2-Acetyl-3-oxobut-1-en-1-yl)amino]benzoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt","Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013050","","","0.71073","MoKα","","0.0553","0.0447","","","0.1187","0.1294","","","","","","1.06","","","","has coordinates,has Fobs","271493","2021-12-17","02:59:24",""
"2243957","14.4934","0.0005","5.8247","0.0002","9.7836","0.0003","90","","90.87","0.002","90","","825.83","0.05","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(Perfluorophenyl)acetamide","2-(2,3,4,5,6-Pentafluorophenyl)acetamide","","- C8 H4 F5 N O -","- C8 H4 F5 N O -","- C32 H16 F20 N4 O4 -","4","1","ZV2012","Novikov, Anton P.; Bezdomnikov, Alexey A.; Grigoriev, Mikhail S.; German, Konstantin E.","Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds","Acta Crystallographica Section E","2022","78","1","80","83","10.1107/S2056989021013359","","","0.71073","MoKα","","0.051","0.0362","","","0.0923","0.1014","","","","","","1.015","","","","has coordinates,has Fobs","272816","2022-02-06","04:35:38",""
"2243958","5.4676","0.0003","5.4676","0.0003","3.10837","0.00016","90","","90","","120","","80.474","0.007","293","2","298","2","","","","","","","synthesised by authors, see text","3","P 6/m m m","-P 6 2","191","","Praseodymium trirhodium diboride","","- B2 Pr Rh3 -","- B2 Pr Rh3 -","- B2 Pr Rh3 -","1","0.0416667","WM5627","Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa","Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013311","","","0.71073","MoKα","","0.0185","0.0182","","","0.0525","0.0526","","","","","","1.214","","","","has coordinates,has Fobs","271579","2021-12-22","03:13:16",""
"2243959","5.4527","0.0002","5.4527","0.0002","3.11066","0.00013","90","","90","","120","","80.095","0.005","293","2","298","2","","","","","","","synthesised by authors, see text","3","P 6/m m m","-P 6 2","191","","Neodymium trirhodium diboride","","- B2 Nd Rh3 -","- B2 Nd Rh3 -","- B2 Nd Rh3 -","1","0.0416667","WM5627","Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa","Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013311","","","0.71073","MoKα","","0.0125","0.0121","","","0.0314","0.0315","","","","","","1.147","","","","has coordinates,has Fobs","271579","2021-12-22","03:13:17",""
"2243960","5.4438","0.0002","5.4438","0.0002","3.11901","0.00012","90","","90","","120","","80.048","0.005","293","2","298","2","","","","","","","synthesised by authors, see text","3","P 6/m m m","-P 6 2","191","","Samarium trirhodium diboride","","- B2 Rh3 Sm -","- B2 Rh3 Sm -","- B2 Rh3 Sm -","1","0.0416667","WM5627","Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa","Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013311","","","0.71073","MoKα","","0.0128","0.0122","","","0.0317","0.0318","","","","","","1.13","","","","has coordinates,has Fobs","271579","2021-12-22","03:13:17",""
"2243961","24.0667","0.0004","8.8282","0.0001","18.891","0.0003","90","","125.619","0.002","90","","3262.76","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II)","","- C28 H48 Co N6 S4 -","- C28 H48 Co N6 S4 -","- C112 H192 Co4 N24 S16 -","4","0.5","ZQ2269","Krebs, Christoph; Jess, Inke; Näther, Christian","Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2022","78","1","","","10.1107/S205698902101327X","","x-ray","1.54184","CuKα","","0.0348","0.0345","","","0.0956","0.0958","","","","","","1.048","","","","has coordinates,has Fobs","271580","2021-12-22","03:14:00",""
"2243962","4.7339","0.001","18.406","0.004","11.88","0.002","90","","98.47","0.03","90","","1023.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,6'-((1<i>E</i>,1'<i>E</i>)-{[1,4-Phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol)","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","JQ2011","Kansiz, Sevgi; Yesilbag, Semanur; Dege, Necmi; Saif, Eiad; Agar, Erbil","Crystal structure and Hirshfeld surface analysis of 6,6'-((1<i>E</i>,1'<i>E</i>)-{[1,4-phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol)","Acta Crystallographica Section E","2022","78","1","","","10.1107/S2056989021013347","","","0.71073","MoKα","","0.0609","0.037","","","0.0847","0.0924","","","","","","1.008","","","","has coordinates,has Fobs","271581","2021-12-22","03:14:39",""
"2243963","8.1864","0.0004","9.2061","0.0005","27.7903","0.0018","90","","90","","90","","2094.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diethyl 2,2'-({[(1<i>E</i>,1'<i>E</i>)-(hydrazine-1,2-diylidene)bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))diacetate","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","ZN2012","Daoui, Said; Kansiz, Sevgi; Aktas, Feyzi Alkim; Dege, Necmi; Saif, Eiad; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and molecular docking study of diethyl 2,2'-({[(1<i>E</i>,1'<i>E</i>)-(hydrazine-1,2-diylidene)bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))diacetate","Acta Crystallographica Section E","2022","78","1","88","91","10.1107/S205698902101344X","","","0.71073","MoKα","","0.113","0.0729","","","0.2199","0.2455","","","","","","1.005","","","","has coordinates,has Fobs","271616","2021-12-24","02:59:05",""
"2243964","8.2449","0.0004","9.1248","0.0004","12.1825","0.0006","101.53","0.002","102.729","0.003","109.2","0.002","806.53","0.07","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","3,3'-([1,1':4',1''-Terphenyl]-2,2''-diyl)bis(2,2,4,4-tetramethylpentan-3-ol) dichloromethane monosolvate","","- C37 H52 Cl2 O2 -","- C37 H52 Cl2 O2 -","- C37 H52 Cl2 O2 -","1","0.5","JY2014","Kurup, Sudheer S.; Nasser, Sandra; Ward, Cassandra L.; Groysman, Stanislav","Synthesis and structure of a new bulky bis(alkoxide) ligand on a terphenyl platform","Acta Crystallographica Section E","2022","78","1","92","96","10.1107/S2056989021013438","","","0.71073","MoKα","","0.0698","0.0513","","","0.1246","0.1357","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","271617","2021-12-24","02:59:29",""
"2243965","5.4384","0.0001","8.8298","0.0002","10.0744","0.0002","102.501","0.002","96.764","0.002","91.415","0.002","468.387","0.017","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2,2,2-Trifluoro-1-(7-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)ethan-1-one","","- C10 H7 F3 N2 O -","- C10 H7 F3 N2 O -","- C20 H14 F6 N4 O2 -","2","1","YK2161","Guseinov, Firudin I.; Kobrakov, Konstantin I.; Ugrak, Bogdan I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 2,2,2-trifluoro-1-(7-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)ethan-1-one","Acta Crystallographica Section E","2022","78","1","12","17","10.1107/S2056989021012676","","x-ray","1.54184","CuKα","","0.0378","0.0371","","","0.1044","0.1052","","","","","","1.085","","","","has coordinates,has Fobs","271670","2022-01-01","04:52:08",""
"2243966","23.5167","0.0019","16.1492","0.0014","24.0414","0.0018","90","","90","","90","","9130.3","1.3","193","2","193","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis{2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolato}palladium(II) bis(hexafluoridoantimonate) dichloromethane monosolvate)","","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C264 H352 Cl16 F96 N16 P16 Pd16 S16 Sb16 -","8","1","ZQ2270","Clerc, Arnaud; Saffon-Merceron, Nathalie; Monot, Julien; Martin Vaca, Blanca; Bourissou, Didier","Crystal structure of a dicationic Pd^II^ dimer containing a 2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolate pincer ligand","Acta Crystallographica Section E","2022","78","1","18","22","10.1107/S2056989021012561","","","0.71073","MoKα","","0.0959","0.0458","","","0.0928","0.1132","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","271671","2022-01-01","04:53:22",""
"2243967","7.3514","0.0004","11.5539","0.0007","41.397","0.003","90","","90","","90","","3516.2","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-((<i>E</i>)-2-{4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C160 H136 Cl8 N16 O24 -","8","1","YK2160","Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2022","78","1","8","11","10.1107/S205698902101238X","","","0.71073","MoKα","","0.1208","0.0602","","","0.1066","0.1276","","","","","","0.993","","","","has coordinates,has Fobs","271672","2022-01-01","04:54:41",""
"2243996","7.7687","0.0017","12.099","0.005","12.572","0.002","85.843","0.013","81.208","0.008","83.107","0.016","1157.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-4-trifluoromethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II) 0.762-pentane 0.238-tetrahydrofuran solvate","","- C44.76 H43.05 F12 Mo2 O10.24 -","- C44.762 H43.048 F12 Mo2 O10.238 -","- C44.762 H43.048 F12 Mo2 O10.238 -","1","0.5","MW2183","Aigeldinger, Elisabeth; Brandao, Lilliana; Powell, Troy; Hartnett, Alaina C.; Sun, Rui; Dogutan, Dilek K.; Zheng, Shao-Liang","Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex","Acta Crystallographica Section E","2022","78","2","","","10.1107/S205698902200010X","","","0.71073","MoKα","","0.032","0.0284","","","0.0621","0.064","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","271957","2022-01-08","02:46:08",""
"2243997","8.8579","0.0005","10.5336","0.0006","11.0893","0.0006","62.282","0.002","75.437","0.002","88.241","0.002","882.03","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3-(3-bromophenyl)-6-methyl-7-oxo-3,5,6,7-tetrahydropyrazolo[1,2-<i>a</i>]pyrazole-1,2-dicarboxylate","","- C17 H17 Br N2 O5 -","- C17 H17 Br N2 O5 -","- C34 H34 Br2 N4 O10 -","2","1","HB8006","El Ajlaoui, Rahhal; Hakmaoui, Yassine; Rakib, El Mostapha; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen","Synthesis, crystal structure and Hirshfeld surface analysis of dimethyl 3-(3-bromophenyl)-6-methyl-7-oxo-3,5,6,7-tetrahydropyrazolo[1,2-<i>a</i>]pyrazole-1,2-dicarboxylate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989021013621","","","0.71073","MoKα","","0.0355","0.0274","","","0.0738","0.0781","","","","","","1.036","","","","has coordinates,has Fobs","271958","2022-01-08","02:46:38",""
"2243998","5.9685","0.0004","11.058","0.0009","26.215","0.002","90","","90","","90","","1730.2","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-4-{[4-(3-Methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","JQ2012","Simsek, Okan; Dincer, Muharrem; Dege, Necmi; Saif, Eiad; Yilmaz, Ibrahim; Cukurovali, Alaaddin","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-{[4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000032","","","0.71073","MoKα","","0.0536","0.0446","","","0.108","0.1126","","","","","","0.972","","","","has coordinates,has Fobs","271959","2022-01-08","02:47:05",""
"2243999","47.641","0.003","10.1522","0.0007","7.8747","0.0006","90","","97.091","0.004","90","","3779.6","0.5","92","2","92","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Ferrocenylundecane-1,11-diol","","- C21 H32 Fe O2 -","- C21 H32 Fe O2 -","- C168 H256 Fe8 O16 -","8","1","HB8007","McAdam, C. John; Simpson, Jim","Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol","Acta Crystallographica Section E","2022","78","2","","","10.1107/S205698902101358X","","","0.71073","MoKα","","0.0452","0.0374","","","0.1006","0.1056","","","","","","1.062","","","","has coordinates,has Fobs","271960","2022-01-08","02:47:32",""
"2244000","8.4627","0.0008","12.8187","0.0011","10.3926","0.0009","90","","107.033","0.003","90","","1077.95","0.17","100.01","","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-[(Benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate","","- C19 H35 N O4 S Si -","- C19 H35 N O4 S Si -","- C38 H70 N2 O8 S2 Si2 -","2","1","HB8003","Kirchhoff, Jan-Lukas; Koller, Stephan G.; Louven, Kathrin; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of 1-[(benzyldimethylsilyl)methyl]-1-ethylpiperidin-1-ium ethanesulfonate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S205698902101361X","","x-ray","0.71073","MoKα","","0.0245","0.024","","","0.0647","0.0651","","","","","","1.051","","","","has coordinates,has Fobs","271963","2022-01-08","02:47:59",""
"2244001","6.7723","0.0006","7.1806","0.0005","20.542","0.002","90","","90","","90","","998.94","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-Methyl-1-phenylethan-1-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C36 H56 Cl4 N4 -","4","1","DX2041","Kirchhoff, Jan-Lukas; Brieger, Lukas; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of (<i>S</i>)-<i>N</i>-methyl-1-phenylethan-1-aminium chloride","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989021013645","","","0.71073","MoKα","","0.0114","0.011","","","0.0242","0.0244","","","","","","1.1409","","","","has coordinates","271964","2022-01-08","02:48:30",""
"2244002","8.4389","0.0006","8.8929","0.0007","9.7293","0.0008","91.315","0.003","106.113","0.002","97.158","0.0017","694.73","0.09","298","","298","","","","","","","","Commercial","6","P -1","-P 1","2","(<i>RS</i>)-Trichlormethiazide","(<i>RS</i>)-6-Chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2<i>H</i>-1λ^6^,2,4-benzothiadiazine-7-sulfonamide","","- C8 H8 Cl3 N3 O4 S2 -","- C8 H8 Cl3 N3 O4 S2 -","- C16 H16 Cl6 N6 O8 S4 -","2","1","","Toro, Robert A.; Dugarte-Dugarte, Analio; van de Streek, Jacco; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela","Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (<i>RS</i>)-trichlormethiazide","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989021013633","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","","2.704","","","","","","","has coordinates,has Fobs","271965","2022-01-08","02:49:01",""
"2244003","11.036","0.0018","10.1005","0.0016","19.291","0.003","90","","90","","90","","2150.4","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","HB8000","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0468","0.0302","","","0.0834","0.0874","","","","","","1.062","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:55",""
"2244004","11.0924","0.0004","10.1898","0.0004","19.6434","0.0008","90","","90","","90","","2220.28","0.15","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0686","0.0476","","","0.1118","0.1239","","","","","","1.052","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:59",""
"2244005","6.6211","0.0016","11.891","0.003","12.389","0.003","116.32","0.005","98.878","0.005","98.39","0.005","838.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis(piperazine-1,4-diium)-3,5-dinitro-2-oxidobenzoate–piperazine (1/1)","","- C13 H21 N5 O8 -","- C13 H21 N5 O8 -","- C26 H42 N10 O16 -","2","1","","Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Judith Percino, M.; Venkatesan, Perumal","Crystal structure and Hirshfeld surface analysis of the hydrated 2:1 adduct of piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate and piperazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000226","","","0.71073","MoKα","","0.1076","0.0485","","","0.1073","0.1333","","","","","","1.02","","","","has coordinates,has Fobs","272049","2022-01-15","02:34:47",""
"2244006","9.5828","0.0004","8.8467","0.0003","17.64","0.0008","90","","90","","90","","1495.45","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0209","0.0184","","","0.0519","0.0528","","","","","","1.055","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:16",""
"2244007","9.716","0.0011","8.9709","0.001","17.8577","0.0017","90","","90","","90","","1556.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0356","0.027","","","0.0694","0.0747","","","","","","1.022","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:17",""
"2244008","8.3063","0.0004","7.5842","0.0004","13.841","0.0007","90","","104.174","0.002","90","","845.39","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>-Acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine","1-(3-Methyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C20 H23 N O -","- C20 H23 N O -","- C40 H46 N2 O2 -","2","1","JY2013","Periyannan, P.; Beemarao, M.; Karthik, K .; Ponnuswamy, S.; Ravichandran, K.","Crystal structure, DFT and Hirshfeld surface analysis of <i>N</i>-acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000275","","","0.71073","MoKα","","0.0494","0.0365","","","0.0911","0.101","","","","","","1.029","","","","has coordinates,has Fobs","272051","2022-01-15","02:35:42",""
"2244009","7.2131","0.0002","13.8648","0.0005","53.4532","0.0018","90","","90","","90","","5345.8","0.3","100","","100","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","2-(4-Methylphenyl)-1<i>H</i>-perimidine hemihydrate","","- C18 H15 N2 O0.5 -","- C18 H15 N2 O0.5 -","- C288 H240 N32 O8 -","16","0.5","WM5631","Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I.","Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000287","","x-ray","0.71073","MoKα","","0.0668","0.0492","","","0.1284","0.14","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","272052","2022-01-15","02:36:25",""
"2244010","11.6878","0.0004","18.0941","0.0006","26.9604","0.0008","90","","90","","90","","5701.6","0.3","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Methyl-2-(<i>p</i>-tolyl)-1-<i>H</i>-perimidine","","- C19 H16 N2 -","- C19 H16 N2 -","- C304 H256 N32 -","16","2","","Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I.","Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000287","","x-ray","0.71073","MoKα","","0.0982","0.0732","","","0.1475","0.1574","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","272052","2022-01-15","02:36:25",""
"2244011","11.2378","0.0004","14.7792","0.0005","11.3165","0.0005","90","","102.042","0.003","90","","1838.15","0.12","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>'-Tribenzylthiourea","","- C22 H22 N2 S -","- C22 H22 N2 S -","- C88 H88 N8 S4 -","4","1","","Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof","Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000147","","x-ray","1.54184","CuKα","","0.0465","0.043","","","0.1186","0.123","","","","","","1.062","","","","has coordinates,has Fobs","272053","2022-01-15","02:37:22",""
"2244012","9.8379","0.0006","10.8014","0.0006","13.2328","0.0006","65.913","0.005","87.752","0.004","84.059","0.005","1276.82","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-methyl-<i>N</i>,<i>N</i>'-Diphenylthiourea","","- C14 H14 N2 S -","- C14 H14 N2 S -","- C56 H56 N8 S4 -","4","2","","Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof","Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000147","","x-ray","1.54184","CuKα","","0.0531","0.049","","","0.1356","0.142","","","","","","1.056","","","","has coordinates,has Fobs","272053","2022-01-15","02:37:22",""
"2244013","25.5231","0.0003","25.5231","0.0003","12.6225","0.0002","90","","90","","120","","7121.03","0.16","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","<i>N</i>,<i>N</i>-Di-<i>n</i>-butyl-<i>N</i>'-phenylthiourea","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C270 H432 N36 S18 -","18","1","","Dhaene, Evert; Van Driessche, Isabel; De Buysser, Klaartje; Van Hecke, Kristof","Crystal structures of three <i>N</i>,<i>N</i>,<i>N</i>'-trisubstituted thioureas for reactivity-controlled nanocrystal synthesis","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000147","","x-ray","1.54184","CuKα","","0.0335","0.0321","","","0.0854","0.0866","","","","","","1.057","","","","has coordinates,has Fobs","272053","2022-01-15","02:37:23",""
"2244014","8.3057","0.0004","9.23","0.0004","14.397","0.0007","95.338","0.004","104.493","0.004","112.592","0.005","964.23","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","{4-Bromo-2-[({<i>N</i>'-[(2-oxidobenzylidene)amino]carbamimidoyl}imino)methyl]phenolato}nickel(II) <i>N</i>,<i>N</i>-dimethylformamide monosolvate monohydrate","","- C18 H20 Br N5 Ni O4 -","- C18 H20 Br N5 Ni O4 -","- C36 H40 Br2 N10 Ni2 O8 -","2","1","DJ2041","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Studzinsky, Sergey L.; Skelton, Brian W.; Vasyliev, Georgii S.","Ni^II^ molecular complex with a tetradentate aminoguanidine-derived Schiff base ligand: structural, spectroscopic and electrochemical studies and photoelectric response","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000317","","","0.71073","MoKα","","0.0484","0.0356","","","0.078","0.0826","","","","","","1.044","","","","has coordinates,has Fobs","272055","2022-01-15","02:38:27",""
"2244015","10.163","0.0003","10.163","0.0003","16.5742","0.0006","90","","90","","120","","1482.54","0.08","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","sodium magnesium borosilicide","3 sodium 1 magnesium 37 boron 9 silicon","","- B37 Mg Na3 Si9 -","- B37 Mg Na3 Si9 -","- B111 Mg3 Na9 Si27 -","3","0.0833333","HB8005","Morito, Haruhiko; Ikeda, Takuji; Katsura, Yukari; Yamane, Hisanori","Na~3~MgB~37~Si~9~: an icosahedral B~12~ cluster framework containing {Si~8~} units","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000494","","","0.71073","MoKα","","0.039","0.0353","","","0.0753","0.0761","","","","","","1.309","","","","has coordinates,has Fobs","272124","2022-01-19","02:44:24",""
"2244016","12.0541","0.0008","12.0821","0.0008","12.705","0.0008","73.18","0.002","65.308","0.002","64.345","0.002","1502.07","0.17","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","Sodium-serinol paratungstate B","Hexasodium tetraserinolium di-μ~3~-hydroxido-tetra-μ~3~-oxido-octadeca-μ-oxido-octadecaoxidododecatungstate decahydrate","","- C12 H62 N4 Na6 O60 W12 -","- C12 H56 N4 Na6 O60 W12 -","- C12 H56 N4 Na6 O60 W12 -","1","0.5","WM5630","Sifaki, Kleanthi; Gumerova, Nadiia I.; Giester, Gerald; Rompel, Annette","Crystal structure of hexasodium tetraserinolium paratungstate B decahydrate, [Na~6~{(CH~2~OH)~2~CHNH~3~}~4~][W~12~O~40~(OH)~2~]·10H~2~O","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000457","","x-ray","0.71073","MoKα","","0.0176","0.0171","","","0.0422","0.0425","","","","","","1.247","","","","has coordinates,has Fobs","272125","2022-01-19","02:44:52",""
"2244017","5.852","0.002","12.437","0.003","12.444","0.003","90","","90","","90","","905.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-Hydroxypropyl)-1<i>H</i>-benzimidazole","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","DX2040","Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana","The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000585","","","1.54178","CuKα","","0.049","0.0394","","","0.0864","0.0912","","","","","","1.059","","","","has coordinates,has Fobs","272183","2022-01-21","03:02:00",""
"2244018","8.51","0.0003","8.2525","0.0004","16.513","0.0007","90","","93.76","0.004","90","","1157.19","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Hydroxypropyl)-1<i>H</i>-benzimidazol-3-ium nitrate","","- C10 H13 N3 O4 -","- C10 H13 N3 O4 -","- C40 H52 N12 O16 -","4","1","DX2040","Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana","The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000585","","","1.54184","CuKα","","0.0666","0.0437","","","0.1158","0.128","","","","","","1.036","","","","has coordinates,has Fobs","272183","2022-01-21","03:02:02",""
"2244019","10.0643","0.0006","10.3592","0.0007","12.0685","0.0008","83.296","0.001","80.77","0.001","75.638","0.001","1199.23","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C50 H56 N4 O10 S2 -","2","1","VM2259","Al-Taifi, Elham A.; Marae, Islam S.; El-Ossaily, Yasser A.; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.","Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetic acid ethyl ester","Acta Crystallographica Section E","2022","78","2","220","224","10.1107/S2056989022000378","","","0.71073","MoKα","","0.0558","0.0449","","","0.1264","0.1327","","","","","","1.107","","","","has coordinates,has Fobs","272341","2022-01-29","02:59:44",""
"2244020","16.1179","0.0014","11.8796","0.0011","16.5649","0.0015","90","","91.974","0.008","90","","3169.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Amino-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","","- C7 H7 N3 S -","- C7 H7 N3 S -","- C112 H112 N48 S16 -","16","2","EX2051","Rakhmonova, Dilnoza; Gapurova, Lobar; Razzoqova, Surayyo; Kadirova, Shakhnoza; Torambetov, Batirbay; Kadirova, Zukhra; Shishkina, Svitlana","5-Amino-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione: molecular, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2022","78","2","231","234","10.1107/S2056989022000792","","","0.71073","MoKα","","0.0593","0.0518","","","0.1305","0.1375","","","","","","1.054","","","","has coordinates,has Fobs","272342","2022-01-29","03:00:09",""
"2244021","18.2782","0.0005","19.1455","0.0006","24.6978","0.0007","90","","96.323","0.001","90","","8590.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Acetyl-3-amino-6-methyl-<i>N</i>-phenyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2-carboxamide","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C400 H336 N48 O32 S16 -","16","4","WM5633","Mohamed, Shaaban K.; Bakhite, Etify A.; Çelikesir, Sevim Türktekin; Abdu-Allah, Hajjaj H. M.; Akkurt, Mehmet; Ibrahim, Omaima F.; Mague, Joel T.; Al-Waleedy, Safiyyah A. H.","Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-<i>N</i>-phenyl-4-[(<i>E</i>)-2-phenylethenyl]thieno[2,3-<i>b</i>]pyridine-2-carboxamide","Acta Crystallographica Section E","2022","78","2","225","230","10.1107/S2056989022000743","","","1.54178","CuKα","","0.0536","0.0433","","","0.106","0.1144","","","","","","1.043","","","","has coordinates,has Fobs","272343","2022-01-29","03:00:39",""
"2244022","15.6121","0.0016","15.6121","0.0016","11.8359","0.0013","90","","90","","90","","2884.9","0.5","298","2","298.15","","","","","","","","","6","P -4 21 c","P -4 2n","114","","Tetra-μ~3~-sulfato-tetrakis[bis(3-methylpyridine)cobalt(II)]","","- C48 H56 Co4 N8 O16 S4 -","- C48 H56 Co4 N8 O16 S4 -","- C96 H112 Co8 N16 O32 S8 -","2","0.25","ZL5027","Park, Ava M.; Golen, James A.; Manke, David R.","A cuboidal [Cu~4~(SO~4~)~4~] structure supported by β-picoline ligands","Acta Crystallographica Section E","2022","78","2","108","110","10.1107/S2056989022000780","","","0.71073","MoKα","","0.0212","0.019","","","0.0445","0.0459","","","","","","1.139","","","","has coordinates,has Fobs","272344","2022-01-29","03:01:04",""
"2244023","10.5089","0.0003","10.5089","0.0003","10.5089","0.0003","90","","90","","90","","1160.57","0.06","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Poly[[diaquatetra-μ~2~-cyanido-platinum(II)iron(II)] methanol 1.33-solvate]","","- C5.33 H9.33 Fe N4 O3.33 Pt -","- C5.33333 H9.332 Fe N4 O3.33333 Pt -","- C16 H27.996 Fe3 N12 O10 Pt3 -","3","0.0625","WM5624","Hiiuk, Volodymyr M.; Mykhailovych, Vasyl; Shova, Sergiu; Golenya, Irina A.; Gural'skiy, Il'ya A.","Crystal structure of poly[[diaquatetra-μ~2~-cyanido-platinum(II)iron(II)] methanol 4/3-solvate]: a three-dimensional Hofmann clathrate analogue","Acta Crystallographica Section E","2022","78","2","216","219","10.1107/S2056989022000573","","x-ray","0.71073","MoKα","","0.0693","0.0545","","","0.1242","0.1334","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","272345","2022-01-29","03:01:36",""
"2244024","10.116","0.005","12.186","0.005","10.979","0.005","90","","98.26","0.005","90","","1339.4","1.1","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","Poly[[[μ~3~-2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.1^3,7^]decan-7-yl)ethanoate-κ^4^<i>N</i>:<i>N</i>':<i>O</i>,<i>O</i>']silver(I)] tetrafluoroborate]","","- C9 H16 Ag B F4 N3 O2 P -","- C9 H16 Ag B F4 N3 O2 P -","- C36 H64 Ag4 B4 F16 N12 O8 P4 -","4","1","EX2052","Udvardy, Antal; Kathó, Ágnes; Papp, Gábor; Joó, Ferenc; Gál, Gyula Tamás","Novel three-dimensional coordination polymer of 2-(1,3,5-triaza-7-phosphoniatricyclo[3.3.1.1^3,7^]decan-7-yl)ethanoic acid with silver(I) tetrafluoroborate","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000767","","","0.71073","MoKα","","0.0486","0.0482","","","0.1216","0.1225","","","","","","1.129","","","","has coordinates,has Fobs","272411","2022-02-02","03:00:16",""
"2244025","8.2471","0.0008","9.9562","0.0008","15.7601","0.0014","90","","98.967","0.003","90","","1278.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2-(phenylsulfanyl)benzo[<i>b</i>]thiophene","","- C14 H9 Br S2 -","- C14 H9 Br S2 -","- C56 H36 Br4 S8 -","4","1","","Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S.","Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000962","","","0.71073","MoKα","","0.0402","0.0289","","","0.0684","0.0726","","","","","","1.036","","","","has coordinates,has Fobs","272546","2022-02-04","03:20:18",""
"2244026","8.4872","0.0003","9.9629","0.0004","15.6485","0.0007","90","","97.052","0.001","90","","1313.18","0.09","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Iodo-2-(phenylsulfanyl)benzo[<i>b</i>]thiophene","","- C14 H9 I S2 -","- C14 H9 I S2 -","- C56 H36 I4 S8 -","4","1","","Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S.","Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000962","","","0.71073","MoKα","","0.0302","0.0219","","","0.0485","0.0506","","","","","","1.082","","","","has coordinates,has Fobs","272546","2022-02-04","03:20:19",""
"2244027","12.3864","0.0011","13.6816","0.0011","8.0982","0.0006","90","","96.398","0.003","90","","1363.82","0.19","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2-(phenylselanyl)benzo[<i>b</i>]selenophene","","- C14 H9 Br Se2 -","- C14 H9 Br Se2 -","- C56 H36 Br4 Se8 -","4","1","","Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S.","Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000962","","","0.71073","MoKα","","0.0568","0.0345","","","0.063","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","272546","2022-02-04","03:20:19",""
"2244028","12.9606","0.0006","13.5999","0.0007","8.0448","0.0004","90","","95.585","0.002","90","","1411.27","0.12","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Iodo-2-(phenylselanyl)benzo[<i>b</i>]selenophene","","- C14 H9 I Se2 -","- C14 H9 I Se2 -","- C56 H36 I4 Se8 -","4","1","","Luz, Eduardo Q.; Santana, Francielli S.; Silverio, Gabriel L.; Tullio, Suelen C. M. C.; Iodice, Bianca; Prola, Liziê D. T.; Barbosa, Ronilson V.; Rampon, Daniel S.","Crystal structures of 3-halo-2-organochalcogenylbenzo[<i>b</i>]chalcogenophenes","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000962","","","0.71073","MoKα","","0.053","0.0366","","","0.0768","0.0832","","","","","","1.042","","","","has coordinates,has Fobs","272546","2022-02-04","03:20:19",""
"2244029","8.7025","0.0004","9.0903","0.0004","9.2033","0.0004","80.829","0.002","81.151","0.002","63.004","0.001","637.68","0.05","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","1,1',2,2',4,4'-Hexaisopropylmagnesocene","","- C28 H46 Mg -","- C28 H46 Mg -","- C28 H46 Mg -","1","0.5","PK2661","Bachmann, Nico; Wirtz, Lisa; Morgenstern, Bernd; Müller, Carsten; Schäfer, André","Crystal structure of 1,1',2,2',4,4'-hexaisopropylmagnesocene","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001189","","","0.71073","MoKα","","0.0527","0.0409","","","0.0931","0.1003","","","","","","1.06","","","","has coordinates,has Fobs","272547","2022-02-04","03:20:52",""
"2244030","12.1536","0.0002","12.9256","0.0003","12.9374","0.0003","76.629","0.002","80.395","0.002","80.578","0.002","1932.9","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(ethanol-κ<i>O</i>)bis(hexamethylenetetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)–diaqua-κ<i>^2^O</i>-bis(hexamethylenetetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)–ethanol–hexamethylenetetramine (1.2/0.8/1.6/4)","","- C60 H123.2 Co2 N36 O5.6 S4 -","- C60 H123.2 Co2 N36 O5.6 S4 -","- C60 H123.2 Co2 N36 O5.6 S4 -","1","0.5","TX2047","Krebs, Christoph; Jess, Inke; Näther, Christian","Crystal structures of two Co(NCS)~2~ urotropine coordination compounds with different Co coordinations","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001037","","x-ray","1.54178","CuKα","","0.042","0.04","","","0.1022","0.1032","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","272548","2022-02-04","03:21:22",""
"2244031","11.1463","0.0001","15.7705","0.0001","12.1824","0.0001","90","","103.886","0.001","90","","2078.87","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(ethanol-κ<i>O</i>)(hexamethylenetetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C14 H30 Co N6 O3 S2 -","- C14 H30 Co N6 O3 S2 -","- C56 H120 Co4 N24 O12 S8 -","4","1","","Krebs, Christoph; Jess, Inke; Näther, Christian","Crystal structures of two Co(NCS)~2~ urotropine coordination compounds with different Co coordinations","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001037","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0678","0.068","","","","","","1.076","","","","has coordinates,has Fobs","272548","2022-02-04","03:21:22",""
"2244032","9.5889","0.0007","13.2144","0.001","14.4529","0.001","90","","103.939","0.0018","90","","1777.4","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-Acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","","- C20 H16 Br N3 O2 -","- C20 H16 Br N3 O2 -","- C80 H64 Br4 N12 O8 -","4","2","YK2165","Mamedov, Ibrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Novikov, Anton P.; Asgarova, Ayten R.; Aliyeva, Khatira N.; Akobirshoeva, Anzurat A.","Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001232","","","0.71073","MoKα","","0.1679","0.0645","","","0.1014","0.1323","","","","","","0.976","","","","has coordinates,has Fobs","272549","2022-02-04","03:21:49",""
"2244033","7.9722","0.0005","21.2705","0.0011","13.086","0.0007","90","","101.805","0.006","90","","2172.1","0.2","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ciprofloxacin 2,6-Dihydroxybenzoate","4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,6-dihydroxybenzoate","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C96 H96 F4 N12 O28 -","4","1","DX2042","Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro","Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001177","","x-ray","1.54184","CuKα","","0.0641","0.0529","","","0.1316","0.1393","","","","","","1.035","","","","has coordinates,has Fobs","272550","2022-02-04","03:22:20",""
"2244034","7.2165","0.0002","8.8298","0.0004","10.1184","0.0003","92.997","0.003","95.219","0.002","111.557","0.004","594.6","0.04","93.15","","93.15","","","","","","","","","6","P 1","P 1","1","Ciprofloxacin chloride–3,5-hydroxybenzoic acid–water (1/1/1)","4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium chloride–3,5-hydroxybenzoic acid–water (1/1/1)","","- C24 H27 Cl F N3 O8 -","- C24 H27 Cl F N3 O8 -","- C24 H27 Cl F N3 O8 -","1","1","DX2042","Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro","Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001177","","x-ray","1.54184","CuKα","","0.0347","0.0341","","","0.0937","0.0941","","","","","","1.122","","","","has coordinates,has Fobs","272550","2022-02-04","03:22:20",""
"2244035","8.7292","0.0003","12.968","0.0005","13.8936","0.0005","66.218","0.003","77.035","0.003","83.321","0.003","1401.93","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Poly[[di-μ~3~-tetrathioantimonato-tris[(cyclam)cobalt(II)]] acetonitrile disolvate dihydrate]","","- C34 H82 Co3 N14 O2 S8 Sb2 -","- C34 H82 Co3 N14 O2 S8 Sb2 -","- C34 H82 Co3 N14 O2 S8 Sb2 -","1","0.5","MW2184","Näther, Christian; Danker, Felix; Bensch, Wolfgang","Synthesis and crystal structure of poly[[di-μ~3~-tetrathioantimonato-tris[(cyclam)cobalt(II)]] acetonitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001074","","","0.71073","MoKα","","0.0583","0.0467","","","0.1197","0.1263","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","272551","2022-02-04","03:22:41",""
"2244036","5.3606","0.0011","7.7831","0.0016","14.415","0.003","77.17","0.007","79.421","0.007","89.719","0.007","576","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[4-(Trifluoromethyl)phenyl]benzamide","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","WM5620","Pearson, Wayne H.; Urban, Joseph J.; MacArthur, Amy H. Roy; Lin, Shirley; Cabrera, Dylan W. L.","Crystal structures of <i>N</i>-[4-(trifluoromethyl)phenyl]benzamide and <i>N</i>-(4-methoxyphenyl)benzamide at 173K: a study of the energetics of conformational changes due to crystal packing","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000950","","","0.71073","MoKα","","0.1116","0.0684","","","0.1662","0.1892","","","","","","1.113","","","","has coordinates,has Fobs","272867","2022-02-09","02:58:14",""
"2244037","26.783","0.0015","5.2477","0.0003","8.1343","0.0005","90","","97.594","0.002","90","","1133.24","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methoxyphenyl)benzamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","WM5620","Pearson, Wayne H.; Urban, Joseph J.; MacArthur, Amy H. Roy; Lin, Shirley; Cabrera, Dylan W. L.","Crystal structures of <i>N</i>-[4-(trifluoromethyl)phenyl]benzamide and <i>N</i>-(4-methoxyphenyl)benzamide at 173K: a study of the energetics of conformational changes due to crystal packing","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022000950","","","0.71073","MoKα","","0.0714","0.0485","","","0.1142","0.126","","","","","","1.076","","","","has coordinates,has Fobs","272867","2022-02-09","02:58:15",""
"2244038","14.6212","0.0004","14.8002","0.0004","20.1288","0.0007","90","","101.719","0.003","90","","4265","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-ethoxy-2-{[(2-methoxyethyl)imino]methyl}propan-1-olato)zinc","","- C18 H32 N2 O6 Zn -","- C18 H32 N2 O6 Zn -","- C144 H256 N16 O48 Zn8 -","8","2","HB8009","Johnson, Keneshia O.; Brown, Antionette; Farris, Gabriella; Starks, Alexabria; Butcher, Ray J.; Matthews, Jason S.","Distorted zinc coordination polyhedra in bis(1-ethoxy-2-{[(2-methoxyethyl)imino]methyl}propan-1-olato)zinc, a possible CVD precursor for zinc oxide thin films","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001475","","","1.54184","CuKα","","0.1323","0.1105","","","0.2573","0.2766","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","272917","2022-02-11","03:05:25",""
"2244039","15.9256","0.0014","14.8256","0.0014","7.6787","0.0006","90","","90.566","0.007","90","","1812.9","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-<i>a</i>]pyridine-8-carboxylate","","- C22 H15 N3 O4 -","- C22 H15 N3 O4 -","- C88 H60 N12 O16 -","4","1","WM5632","El Kalai, Fouad; Baydere, Cemile; Dege, Necmi; Abudunia, Abdulmalik; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenylethyl 3-nitroso-2-phenylimidazo[1,2-<i>a</i>]pyridine-8-carboxylate","Acta Crystallographica Section E","2022","78","3","","","10.1107/S2056989022001517","","","0.71073","MoKα","","0.1312","0.0464","","","0.0953","0.1175","","","","","","0.92","","","","has coordinates,has Fobs","272988","2022-02-16","03:14:01",""
"2244040","12.91","0.003","6.32","0.0013","21.17","0.004","90","","106.48","0.03","90","","1656.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","VM2260","Asadov, Khammed A.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Huseynova, Afet T.; Akobirshoeva, Anzurat A.; Huseynov, Elnur Z.","Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section E","2022","78","3","","","10.1107/S205698902200175X","","","0.80246","synchrotron","","0.0608","0.0538","","","0.1384","0.1434","","","","","","1.048","","","","has coordinates,has Fobs","273126","2022-02-23","03:10:20",""
"2244041","3.9608","0.0004","24.104","0.003","11.1762","0.001","90","","90.189","0.009","90","","1067","0.2","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","HB8013","Pintro, Chirs J.; Long, Analeece K.; Amonette, Allison J.; Lobue, James M.; Padgett, Clifford W.","Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid and 5-amino-3-(4-methoxyphenyl)isoxazole","Acta Crystallographica Section E","2022","78","3","336","339","10.1107/S2056989022001827","","x-ray","0.71073","MoKα","","0.0971","0.0492","","","0.119","0.1545","","","","","","1.029","","","","has coordinates,has Fobs","273175","2022-02-26","03:01:06",""
"2244042","7.6496","0.0011","8.7565","0.0015","14.128","0.002","90","","90","","90","","946.3","0.3","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Amino-3-(4-methoxyphenyl)isoxazole","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","HB8013","Pintro, Chirs J.; Long, Analeece K.; Amonette, Allison J.; Lobue, James M.; Padgett, Clifford W.","Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid and 5-amino-3-(4-methoxyphenyl)isoxazole","Acta Crystallographica Section E","2022","78","3","336","339","10.1107/S2056989022001827","","x-ray","0.71073","MoKα","","0.1069","0.0518","","","0.1184","0.1678","","","","","","1.019","","","","has coordinates,has Fobs","273175","2022-02-26","03:01:07",""
"2244043","9.4329","0.0003","10.9974","0.0004","11.931","0.0003","115.244","0.003","93.939","0.002","104.18","0.003","1064.01","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>R</i>/<i>S</i>,<i>E</i>)-2-(4-Hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C46 H48 N4 O10 -","2","1","JY2016","Yennawar, Hemant P.; Sigmon, Anna","Crystal structure of racemic (<i>R</i>/<i>S</i>,<i>E</i>)-2-(4-hydroxyphenyl)-4-(2-phenylhydrazin-1-ylidene)chromane-5,7-diol ethanol monosolvate","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002079","","x-ray","1.54184","CuKα","","0.0607","0.049","","","0.149","0.1605","","","","","","1.074","","","","has coordinates,has disorder","273203","2022-03-02","03:03:37",""
"2244044","6.9688","0.0001","25.8066","0.0004","22.829","0.0004","90","","95.418","0.002","90","","4087.25","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ~3~-Acetato)(μ~2~-acetato)bis(μ~3~-1,3-bis{[1-(2-oxidophenyl)ethylidene]amino}propan-2-olato)tetracopper(II) monohydrate","","- C21 H23 Cu2 N2 O5.5 -","- C21 H23 Cu2 N2 O5.5 -","- C168 H184 Cu16 N16 O44 -","8","2","EX2053","Diallo, Alassane Saïdou; Thiam, Ibrahima Elhadji; Gueye-Ndiaye, Mbossé; Dieng, Moussa; Orton, James; Simon, Coles; Gaye, Mohamed","Tetranuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002225","","","0.71075","MoKα","","0.0675","0.0561","","","0.1265","0.1305","","","","","","1.133","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2244045","9.4588","0.0006","10.8892","0.0008","10.8343","0.0009","100.305","0.007","110.91","0.007","90.955","0.006","1021.67","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazo[1,5-<i>a</i>]pyridinium) trichloridoiodidozincate(II),","","- C16 H18 Cl3.19 I0.81 N4 Zn -","- C16 H18 Cl3.1866 I0.8134 N4 Zn -","- C32 H36 Cl6.3732 I1.6268 N8 Zn2 -","2","1","ZN2015","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002420","","x-ray","0.71073","MoKα","","0.0585","0.0438","","","0.0954","0.1035","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","273552","2022-03-09","02:56:18",""
"2244046","9.5172","0.0005","10.8293","0.0006","10.9697","0.0006","99.62","0.005","110.413","0.005","90.827","0.005","1041.45","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazo[1,5-<i>a</i>]pyridinium) dibromidodichloridozincate(II)","","- C16 H18 Br2.42 Cd Cl1.58 N4 -","- C16 H18 Br2.422 Cd Cl1.578 N4 -","- C32 H36 Br4.844 Cd2 Cl3.156 N8 -","2","1","ZN2015","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002420","","x-ray","0.71073","MoKα","","0.0551","0.0358","","","0.0607","0.0681","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","273552","2022-03-09","02:56:19",""
"2244047","9.4304","0.0003","10.7968","0.0003","10.7565","0.0003","99.209","0.003","110.746","0.003","90.837","0.002","1007.97","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazo[1,5-<i>a</i>]pyridinium) trichloridoiodidozincate(II)","","- C16 H18 Cd Cl3.9 I0.1 N4 -","- C16 H18 Cd Cl3.9008 I0.0992 N4 -","- C32 H36 Cd2 Cl7.8016 I0.1984 N8 -","2","1","ZN2015","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic–inorganic hybrid mixed-halide Zn^II^ and Cd^II^ tetrahalometallates with the 2-methylimidazo[1,5-<i>a</i>]pyridinium cation","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002420","","x-ray","1.54178","CuKα","","0.0297","0.0267","","","0.0652","0.0675","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","273552","2022-03-09","02:56:19",""
"2244048","8.2248","0.0006","8.7542","0.0006","13.0712","0.001","90","","90","","90","","941.15","0.12","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serotonin or 5-hydroxytryptamine (5-HT)","3-(2-Aminoethyl)-1<i>H</i>-indol-5-ol","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","HB8014","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Crystal structure of serotonin","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002559","","","0.71073","MoKα","","0.0364","0.0302","","","0.0696","0.0728","","","","","","1.046","","","","has coordinates,has Fobs","273637","2022-03-11","03:13:47",""
"2244049","10.0771","0.0003","16.0292","0.0005","17.8768","0.0006","90","","90","","90","","2887.6","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","","- C14 H14 N2 S3 -","- C14 H14 N2 S3 -","- C112 H112 N16 S24 -","8","1","EX2055","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Gad, Nagwa M.; Jones, Peter G.","Crystal structure of 2-(benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002572","","","0.71073","MoKα","","0.0449","0.0322","","","0.0717","0.0773","","","","","","1.048","","","","has coordinates,has Fobs","273638","2022-03-11","03:14:29",""
"2244050","10.6201","0.0008","8.0201","0.0008","18.2085","0.0016","90","","91.262","0.007","90","","1550.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hydroxymethylimidazole","1<i>H</i>-Imidazole-1-methanol","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C48 H72 N24 O12 -","12","3","PK2662","Wysocki, Megan M.; Puzovic, Gorana; Dowell, Keith L.; Reinheimer, Eric W.; Gerlach, Deidra L.","Crystal structure of 1<i>H</i>-imidazole-1-methanol","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002614","","x-ray","0.71073","MoKα","","0.0789","0.041","","","0.0962","0.11","","","","","","1.024","","","","has coordinates,has Fobs","273639","2022-03-11","03:15:21",""
"2244051","5.7062","0.0004","34.009","0.003","8.5042","0.0008","90","","98.178","0.007","90","","1633.6","0.2","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,7-Dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-1,5(2<i>H</i>)-dione","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","JY2017","Cheng, Dong; Gao, Xinlei; Huang, Jiating; Meng, Xiang-Zhen","Crystal structure and Hirshfeld surface analysis of 7,7-dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-1,5(2<i>H</i>)-dione","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002353","","x-ray","0.71073","MoKα","","0.0846","0.0561","","","0.1234","0.1426","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","273640","2022-03-11","03:15:49",""
"2244052","4.7727","0.0002","17.5228","0.0008","21.8526","0.0009","90","","90","","90","","1827.56","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ceftibuten","(6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","","- C15 H14 N4 O6 S2 -","- C15 H14 N4 O6 S2 -","- C60 H56 N16 O24 S8 -","4","1","HB8008","Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F.","Crystal structures of anhydrous and hydrated ceftibuten","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002110","","","1.54178","CuKα","","0.1163","0.0596","","","0.1212","0.1455","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","273641","2022-03-11","03:16:51",""
"2244053","4.669","0.0001","17.8029","0.0004","23.1486","0.0005","90","","90","","90","","1924.15","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ceftibuten 2.652-hydrate","(6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2.652-hydrate","","- C15 H19.3 N4 O8.65 S2 -","- C15 H19.304 N4 O8.652 S2 -","- C60 H77.216 N16 O34.608 S8 -","4","1","","Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F.","Crystal structures of anhydrous and hydrated ceftibuten","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002110","","","1.54178","CuKα","","0.0456","0.0381","","","0.0824","0.0854","","","","","","1.043","","","","has coordinates,has Fobs","273641","2022-03-11","03:16:51",""
"2244054","10.0193","0.0004","15.2554","0.0008","17.7983","0.001","69.918","0.002","74.926","0.002","84.14","0.002","2466.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Chlorin dimethylaminopyridine monosolvate","<i>cis</i>-7,8-Dihydroxy-5,10,15,20-tetraphenylchlorin dimethylaminopyridine monosolvate","","- C51 H42 N6 O2 -","- C51 H42 N6 O2 -","- C102 H84 N12 O4 -","2","1","DJ2044","Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias","Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002729","","","0.71073","MoKα","","0.0798","0.0478","","","0.1193","0.1332","","","","","","1.039","","","","has coordinates,has Fobs","273719","2022-03-16","03:12:05",""
"2244055","10.1249","0.0003","13.54","0.0004","27.0447","0.0008","90","","95.1464","0.0011","90","","3692.64","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Chlorin(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136)","[<i>cis</i>-7,8-Dihydroxy-5,10,15,20-tetraphenylchlorinato(2-)]zinc(II)–ethylenediamine–methanol (1/1/0.136)","","- C46.14 H38.54 N6 O2.14 Zn -","- C46.136 H38.544 N6 O2.136 Zn -","- C184.544 H154.176 N24 O8.544 Zn4 -","4","1","","Chaudhri, Nivedita; Brückner, Christian; Zeller, Matthias","Crystal structure of <i>cis</i>-7,8-dihydroxy-5,10,15,20-tetraphenylchlorin and its zinc(II)–ethylenediamine complex","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002729","","","1.54178","CuKα","","0.0337","0.0314","","","0.0857","0.0875","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","273719","2022-03-16","03:12:08",""
"2244056","5.7667","0.0002","28.4129","0.0007","15.5339","0.0005","90","","91.728","0.003","90","","2544.05","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Hydroxyphenyl)quinoline-6-sulfonamide","","- C15 H12 N2 O3 S -","- C15 H12 N2 O3 S -","- C120 H96 N16 O24 S8 -","8","2","ZN2017","Benarous, Nesrine; Moussa Slimane, Nabila; Bougueria, Hassiba; Boutebdja, Mehdi; Cherouana, Aouatef","Crystal structure and Hirshfeld surface analysis of 2-(2-hydroxyphenyl)quinoline-6-sulfonamide","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002870","","","0.71073","MoKα","","0.092","0.0596","","","0.1562","0.1838","","","","","","1.053","","","","has coordinates,has Fobs","273775","2022-03-18","03:09:47",""
"2244057","14.87","0.0004","15.2915","0.0004","13.103","0.0004","90","","90","","90","","2979.42","0.14","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(<i>E</i>)-1-[2,2-Dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","","- C14 H8 Br2 F N3 O2 -","- C14 H8 Br2 F N3 O2 -","- C112 H64 Br16 F8 N24 O16 -","8","1","HB8012","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Suleymanova, Gulnar T.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","Acta Crystallographica Section E","2022","78","4","","","10.1107/S205698902200278X","","","0.71073","MoKα","","0.0291","0.023","","","0.0547","0.0572","","","","","","1.061","","","","has coordinates,has Fobs","273776","2022-03-18","03:10:19",""
"2244058","8.3515","0.0003","16.6672","0.0006","7.9705","0.0003","90","","107.191","0.002","90","","1059.9","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","WM5635","Filali Baba, Yassir; Hayani, Sonia; Dalbouha, Samira; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Kandri Rodi, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis, interaction energy and DFT calculations and energy frameworks of methyl 6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002912","","","0.71073","MoKα","","0.0502","0.0408","","","0.1079","0.1152","","","","","","1.057","","","","has coordinates,has Fobs","273914","2022-03-23","03:02:33",""
"2244059","7.776","0.0003","9.9573","0.0004","11.4124","0.0006","90.97","0.004","92.771","0.004","94.283","0.003","879.95","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","5-[1-(Benzenesulfonyl)-1<i>H</i>-indol-3-yl]-2,1,3-benzoselenadiazole","","- C20 H13 N3 O2 S Se -","- C20 H13 N3 O2 S Se -","- C40 H26 N6 O4 S2 Se2 -","2","1","VM2261","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0466","0.0367","","","0.094","0.1014","","","","","","1.04","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:23",""
"2244060","7.5884","0.0001","7.106","0.0001","43.2464","0.0007","90","","90","","90","","2331.98","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzothiadiazole","5-[1-(Benzenesulfonyl)-1<i>H</i>-indol-3-yl]-2,1,3-benzothiadiazole","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C112 H72 N24 S8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0397","0.035","","","0.094","0.0978","","","","","","1.07","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244061","12.0256","0.0007","7.7396","0.0005","23.8551","0.0016","90","","90","","90","","2220.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzoxadiazole","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0829","0.0497","","","0.1151","0.1337","","","","","","1.063","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244062","7.3003","0.0001","18.9557","0.0003","21.9045","0.0003","90","","90","","90","","3031.2","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","PRAAQ","1-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","","- C18 H14 N2 O3 S -","- C18 H14 N2 O3 S -","- C144 H112 N16 O24 S8 -","8","1","ZN2016","Ifeanyieze, Kenechukwu J.; Ayiya, Bikimi B.; Okpareke, Obinna C.; Groutso, Tatiana V.; Asegbeloyin, Jonnie N.","Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022003127","","x-ray","1.54184","CuKα","","0.0506","0.0479","","","0.1417","0.1436","","","","","","1.129","","","","has coordinates","274094","2022-03-30","01:49:57",""
"2244063","11.142","0.002","7.2555","0.0015","27.333","0.006","90","","90","","90","","2209.6","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(5-Phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine","","- C11 H8 N4 O S -","- C11 H8 N4 O S -","- C88 H64 N32 O8 S8 -","8","2","YK2168","Nikitina, Evgeniya V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Petkevich, Sergey K.; Akishina, Ekaterina A.; Khrustalev, Victor N.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2022","78","4","453","457","10.1107/S2056989022003450","","","0.71073","MoKα","","0.0944","0.0534","","","0.1088","0.1254","","","","","","1.03","","","","has coordinates,has Fobs","274188","2022-04-01","02:07:36",""
"2244064","14.6666","0.0002","13.8922","0.0002","6.26063","0.0001","90","","100.127","0.0014","90","","1255.74","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,5-Dimethoxyphenyl)benzo[<i>d</i>]thiazole","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","VM2262","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 2-(2,5-dimethoxyphenyl)benzo[<i>d</i>]thiazole","Acta Crystallographica Section E","2022","78","4","445","448","10.1107/S2056989022003279","","","0.71073","MoKα","","0.0302","0.0272","","","0.082","0.0838","","","","","","1.035","","","","has coordinates,has Fobs","274189","2022-04-01","02:08:17",""
"2244065","19.6562","0.0014","7.5587","0.0003","26.4903","0.0016","90","","109.762","0.005","90","","3704","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-3-({6-[2-(4-Chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate","","- C18 H19 Cl2 N3 O3 -","- C18 H19 Cl2 N3 O3 -","- C144 H152 Cl16 N24 O24 -","8","1","JQ2014","Daoui, Said; Çınar, Emine Berrin; Dege, Necmi; Benchat, Noureddine; Saif, Eiad; Karrouchi, Khalid","Crystal structure of (<i>E</i>)-3-({6-[2-(4-chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate","Acta Crystallographica Section E","2022","78","4","458","462","10.1107/S2056989022003346","","","0.71073","MoKα","","0.0964","0.0499","","","0.121","0.1421","","","","","","0.982","","","","has coordinates,has Fobs","274190","2022-04-01","02:08:48",""
"2244066","5.87685","0.00019","7.5999","0.0003","28.4578","0.0011","90","","90.604","0.003","90","","1270.95","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(1<i>H</i>-Indol-2-ylmethylidene)-4-methoxyaniline","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","YK2166","Taneda, Masatsugu; Nishi, Masato; Kubono, Koji; Kashiwagi, Yukiyasu; Matsumoto, Taisuke","Crystal structure of <i>N</i>-(1<i>H</i>-indol-2-ylmethylidene)-4-methoxyaniline","Acta Crystallographica Section E","2022","78","4","449","452","10.1107/S2056989022002973","","x-ray","0.71073","MoKα","","0.0563","0.0487","","","0.1214","0.1266","","","","","","1.049","","","","has coordinates,has Fobs","274191","2022-04-01","02:09:21",""
"2244067","7.9106","0.0003","10.4468","0.0004","15.5735","0.0005","79.988","0.003","77.717","0.003","77.909","0.003","1218.33","0.08","100","","100","","","","","","","","","3","P -1","-P 1","2","","<i>anti</i>-10-Butyl-10,11,22,23-tetrahydro-9<i>H</i>,21<i>H</i>-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-<i>a</i>:5,6-<i>a</i>']diindole","","- C33 H33 N3 -","- C33 H33 N3 -","- C66 H66 N6 -","2","1","YK2167","Kubono, Koji; Tani, Keita; Kashiwagi, Yukiyasu; Tani, Fumito; Matsumoto, Taisuke","Synthesis and crystal structure of <i>anti</i>-10-butyl-10,11,22,23-tetrahydro-9<i>H</i>,21<i>H</i>-5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16-<i>a</i>:5,6-<i>a</i>']diindole","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003383","","","1.54184","CuKα","","0.0479","0.0442","","","0.1148","0.118","","","","","","1.05","","","","has coordinates,has Fobs","274370","2022-04-06","02:17:26",""
"2244068","15.5436","0.0006","8.6538","0.0004","16.7362","0.0007","90","","108.628","0.001","90","","2133.27","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate","","- C6 H50 N4 O44 V10 Zn2 -","- C6 H50 N4 O44 V10 Zn2 -","- C12 H100 N8 O88 V20 Zn4 -","2","0.5","YZ2017","Ebrahimi, Arash; Gyepes, Róbert; Bujdoš, Marek; Krivosudský, Lukáš","Crystal structure of bis(ammonium) bis[pentaaqua(dimethylformamide)zinc(II)] decavanadate tetrahydrate","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003449","","","0.71073","MoKα","","0.0293","0.0232","","","0.0541","0.0564","","","","","","1.06","","","","has coordinates,has Fobs","274371","2022-04-06","02:19:25",""
"2244069","7.332","0.002","9.886","0.003","13.27","0.004","93.359","0.008","102.703","0.008","92.41","0.008","935.2","0.5","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","9,10-Dimethoxy-5,6-dihydro-2H-7λ^5^-[1,3]dioxolo[4,5-<i>g</i>]isoquinolino[3,2-<i>a</i>]isoquinolin-7-ylium chloride methanol monosolvate","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C42 H44 Cl2 N2 O10 -","2","1","YK2164","Kornilova, Tatiana; Glebov, Viktor; Castañeda, Raúl; Timofeeva, Tatiana V.","A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003309","","","0.71073","MoKα","","0.0412","0.0335","","","0.0893","0.0946","","","","","","1.026","","","","has coordinates,has Fobs","274372","2022-04-06","02:21:16",""
"2244070","21.0939","0.0012","9.252","0.0006","15.0283","0.001","90","","116.211","0.004","90","","2631.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bromopropamide","4-Bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide","","- C10 H13 Br N2 O3 S -","- C10 H13 Br N2 O3 S -","- C80 H104 Br8 N16 O24 S8 -","8","1","MW2187","Bookwala, Mustafa; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.","Crystal structure of 4-bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003723","","","0.71073","MoKα","","0.0765","0.0364","","","0.0824","0.095","","","","","","1.012","","","","has coordinates,has Fobs","274427","2022-04-08","02:03:32",""
"2244071","8.7856","0.0003","13.1738","0.0006","14.0096","0.0006","67.018","0.003","77.677","0.003","84.22","0.003","1458.1","0.11","200","2","200","2","","","","","","","","7","P -1","-P 1","2","μ~3~-Tetrathioantimonato-tris[(1,4,8,11-tetraazacyclotetradecane)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate","μ~3~-Tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate","","- C34 H82 N14 O2 S8 Sb2 Zn3 -","- C34 H82 N14 O2 S8 Sb2 Zn3 -","- C34 H82 N14 O2 S8 Sb2 Zn3 -","1","0.5","WM5639","Näther, Christian; Danker, Felix; Bensch, Wolfgang","Crystal structure of μ~3~-tetrathioantimonato-tris[(cyclam)zinc(II)] tetrathioantimonate acetonitrile disolvate dihydrate showing Zn disorder over the cyclam ring planes (cyclam = 1,4,8,11-tetraazacyclotetradecane)","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003759","","","0.71073","MoKα","","0.0344","0.0289","","","0.0744","0.0766","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","274505","2022-04-13","02:00:05",""
"2244072","9.6519","0.0006","28.312","0.0016","11.1909","0.0006","90","","92.154","0.001","90","","3055.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2,3,4-Tetrachloro-5,6-diiodobenzene–\ 4-[2,4-diphenyl-3-(pyridin-4-yl)cyclobutyl]pyridine (1/1)","","- C32 H22 Cl4 I2 N2 -","- C32 H22 Cl4 I2 N2 -","- C128 H88 Cl16 I8 N8 -","4","1","DX2043","Dunning, Taylor J.; Bosch, Eric; Groeneman, Ryan H.","Halogen-bonded zigzag molecular network based upon 1,2-diiodoperchlorobenzene and the photoproduct <i>rctt</i>-1,3-bis(pyridin-4-yl)-2,4-diphenylcyclobutane","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004200","","","0.71073","MoKα","","0.0567","0.0557","","","0.1177","0.118","","","","","","1.391","","","","has coordinates,has Fobs","274652","2022-04-23","01:46:56",""
"2244073","7.8601","0.0014","9.8884","0.0017","18.19","0.003","90","","98.677","0.003","90","","1397.6","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[({2-[(2-Aminoethyl-κ<i>N</i>)(methyl)amino-κ<i>N</i>]ethyl}imino-κ<i>N</i>)methyl]benzenethiolato-κ<i>S</i>}nickel(II) chloride","","- C12 H18 Cl N3 Ni S -","- C12 H18 Cl N3 Ni S -","- C48 H72 Cl4 N12 Ni4 S4 -","4","1","DJ2045","Hirotsu, Masakazu; Sanou, Junhei; Nakae, Toyotaka; Matsunaga, Takumi; Kinoshita, Isamu","Crystal structures and electrochemical properties of nickel(II) complexes with <i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>-tetradentate Schiff base ligands","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003954","","","0.71075","MoKα","","0.0314","0.0241","","","0.0542","0.0571","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","274653","2022-04-23","01:47:41",""
"2244074","8.725","0.003","10.507","0.004","11.316","0.004","98.065","0.004","101.274","0.006","96.15","0.005","997.6","0.6","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","[2-({[2-(Piperazin-1-yl-κ^2^<i>N</i>^1^,<i>N</i>^4^)ethyl]imino-κ<i>N</i>}methyl)benzenethiolato-κ<i>S</i>]nickel(II) hexafluorophosphate dichloromethane monosolvate","","- C14 H20 Cl2 F6 N3 Ni P S -","- C14 H20 Cl2 F6 N3 Ni P S -","- C28 H40 Cl4 F12 N6 Ni2 P2 S2 -","2","1","","Hirotsu, Masakazu; Sanou, Junhei; Nakae, Toyotaka; Matsunaga, Takumi; Kinoshita, Isamu","Crystal structures and electrochemical properties of nickel(II) complexes with <i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>-tetradentate Schiff base ligands","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022003954","","","0.71075","MoKα","","0.0539","0.0368","","","0.082","0.0871","","","","","","0.93","","","","has coordinates,has Fobs","274653","2022-04-23","01:47:45",""
"2244075","7.738","0.001","9.32","0.001","13.949","0.002","94.46","0.01","95.04","0.01","104.71","0.02","964","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 4-bromobenzoate dihydrate","","- C17 H22 Br N3 O6 -","- C17 H22 Br N3 O6 -","- C34 H44 Br2 N6 O12 -","2","1","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.0549","0.0366","","","0.0984","0.1036","","","","","","1.041","","","","has coordinates,has Fobs","274714","2022-04-27","01:54:05",""
"2244076","7.7652","0.0004","9.2852","0.0005","13.93","0.001","94.985","0.005","95.331","0.005","104.875","0.006","960.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 4-iodobenzoate dihydrate","","- C17 H22 I N3 O6 -","- C17 H22 I N3 O6 -","- C34 H44 I2 N6 O12 -","2","1","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.0386","0.0287","","","0.0651","0.069","","","","","","1.029","","","","has coordinates,has Fobs","274714","2022-04-27","01:54:05",""
"2244077","9.636","0.001","10.301","0.001","10.867","0.001","103.9","0.01","108.32","0.01","112.96","0.01","857.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 4-hydroxybenzoate monohydrate","","- C17 H21 N3 O6 -","- C17 H21 N3 O6 -","- C34 H42 N6 O12 -","2","1","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.0652","0.0429","","","0.0935","0.1058","","","","","","1.051","","","","has coordinates,has Fobs","274714","2022-04-27","01:54:06",""
"2244078","6.1136","0.0005","7.6965","0.0007","19.708","0.002","79.577","0.008","87.162","0.008","86.699","0.008","909.79","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 4-methylbenzoate monohydrate","","- C18 H23 N3 O5 -","- C18 H23 N3 O5 -","- C36 H46 N6 O10 -","2","1","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.108","0.0533","","","0.1146","0.1377","","","","","","1.009","","","","has coordinates,has Fobs","274714","2022-04-27","01:54:06",""
"2244079","15.808","0.001","7.5198","0.0007","31.02","0.002","90","","92.561","0.007","90","","3683.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrophenyl)piperazin-1-ium 4-methoxybenzoate hemihydrate","","- C36 H44 N6 O11 -","- C36 H44 N6 O11 -","- C144 H176 N24 O44 -","4","1","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.2248","0.074","","","0.123","0.169","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","274714","2022-04-27","01:54:06",""
"2244080","7.874","0.001","9.263","0.001","27.996","0.003","81.03","0.006","85.675","0.006","68.229","0.005","1872.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 4-ethoxybenzoate","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","2","EX2056","Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004157","","x-ray","0.71073","MoKα","","0.1263","0.0606","","","0.1133","0.1366","","","","","","1.045","","","","has coordinates,has Fobs","274714","2022-04-27","01:54:06",""
"2244081","4.1549","0.0004","28.708","0.003","13.2735","0.0013","90","","95.564","0.002","90","","1575.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromidobis(2,3-dihydro-1<i>H</i>-1,3-benzodiazole-2-thione)copper(I)","","- C14 H12 Br Cu N4 S2 -","- C14 H12 Br Cu N4 S2 -","- C56 H48 Br4 Cu4 N16 S8 -","4","1","HB7984","Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak","Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004224","","","0.71073","MoKα","","0.0564","0.0408","","","0.0868","0.093","","","","","","1.084","","","","has coordinates,has Fobs","274715","2022-04-27","01:55:08",""
"2244082","4.5154","0.0003","22.2157","0.0015","20.4062","0.0014","90","","94.818","0.001","90","","2039.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(2,3-dihydro-1<i>H</i>-1,3-benzodiazole-2-thione)iodidocopper(I) acetone solvate","","- C17 H18 Cu I N4 O S2 -","- C17 H18 Cu I N4 O S2 -","- C68 H72 Cu4 I4 N16 O4 S8 -","4","1","HB7984","Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak","Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes","Acta Crystallographica Section E","2022","78","5","","","10.1107/S2056989022004224","","","0.71073","MoKα","","0.0438","0.0386","","","0.0858","0.0892","","","","","","1.076","","","","has coordinates,has Fobs","274715","2022-04-27","01:55:13",""
"2244083","13.06508","0.00016","5.81242","0.00006","41.7384","0.0005","90","","93.3315","0.0011","90","","3164.25","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(<i>tert</i>-Butylamino)-3-(2,4,6-trimethylphenyl)propan-2-ol hemihydrate","","- C32 H56 N2 O3 -","- C32 H56 N2 O3 -","- C128 H224 N8 O12 -","4","1","JY2019","Khalilov, Ali N.; Khrustalev, Victor N.; Tereshina, Tatiana A.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 1-(<i>tert</i>-butylamino)-3-mesitylpropan-2-ol hemihydrate","Acta Crystallographica Section E","2022","78","5","525","529","10.1107/S2056989022004297","","","1.54184","CuKα","","0.0473","0.0438","","","0.1119","0.1144","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","274830","2022-05-03","02:23:55",""
"2244084","16.0658","0.0002","7.0329","0.0001","12.7934","0.0002","90","","96.847","0.0006","90","","1435.21","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[2,2-Dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","","- C14 H8 Br2 F N3 O2 -","- C14 H8 Br2 F N3 O2 -","- C56 H32 Br8 F4 N12 O8 -","4","1","WM5642","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene","Acta Crystallographica Section E","2022","78","5","530","535","10.1107/S2056989022004388","","","0.71073","MoKα","","0.0377","0.0344","","","0.0926","0.0955","","","","","","1.049","","","","has coordinates,has Fobs","274831","2022-05-03","02:24:35",""
"2244085","26.5184","0.0015","7.2632","0.0002","15.3622","0.0008","90","","130.906","0.009","90","","2236.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[(acetato)aqua(μ~3~-phthalato)europium(III)]","","- C10 H9 Eu O7 -","- C10 H9 Eu O7 -","- C80 H72 Eu8 O56 -","8","1","ZN2019","Jittipiboonwat, Prakottakarn; Chuasaard, Thammanoon; Rujiwatra, Apinpus","Crystal structure and photoluminescent properties of a new Eu^III^–phthalate–acetate coordination polymer","Acta Crystallographica Section E","2022","78","5","536","539","10.1107/S2056989022004339","","x-ray","0.71073","MoKα","","0.0274","0.0239","","","0.0504","0.0524","","","","","","1.054","","","","has coordinates,has Fobs","274832","2022-05-03","02:25:04",""
"2244086","13.229","0.001","10.5551","0.0007","17.8346","0.0013","90","","90","","90","","2490.3","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Baeocystin","3-[2-(Methylazaniumyl)ethyl]-1<i>H</i>-indol-4-yl hydrogen phosphate","","- C11 H15 N2 O4 P -","- C11 H15 N2 O4 P -","- C88 H120 N16 O32 P8 -","8","1","HB8018","Naeem, Marilyn; Sherwood, Alexander M.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystal structure of baeocystin","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004467","","","0.71073","MoKα","","0.0483","0.0371","","","0.0888","0.0964","","","","","","1.071","","","","has coordinates,has Fobs","275186","2022-05-07","01:45:32",""
"2244087","10.394","0.0001","26.2421","0.0002","8.986","0.0001","90","","108.056","0.001","90","","2330.32","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate","","- C20 H23 Br N6 O3 S2 -","- C20 H23 Br N6 O3 S2 -","- C80 H92 Br4 N24 O12 S8 -","4","1","ZV2013","Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004741","","","1.54184","CuKα","","0.039","0.0389","","","0.0943","0.0943","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","275319","2022-05-11","01:45:48",""
"2244088","8.7055","0.0003","25.9927","0.0013","13.6479","0.0005","90","","91.864","0.003","90","","3086.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hypoxanthinium 5-sulfosalicylate dihydrate","6-Oxo-1,9-dihydropurin-7-ium 5-sulfosalicylate dihydrate","","- C12 H14 N4 O9 S -","- C12 H12 N4 O9 S -","- C96 H96 N32 O72 S8 -","8","2","WM5640","Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim","Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004753","","","0.71073","MoKα","","0.1","0.0869","","","0.1843","0.1896","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","275426","2022-05-14","01:42:39",""
"2244089","5.0307","0.0006","20.386","0.002","9.0181","0.001","90","","94.233","0.002","90","","922.34","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hypoxanthinium perchlorate monohydrate","6-Oxo-1,9-dihydropurin-7-ium perchlorate monohydrate","","- C5 H7 Cl N4 O6 -","- C5 H7 Cl N4 O6 -","- C20 H28 Cl4 N16 O24 -","4","1","WM5640","Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim","Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004753","","","0.71073","MoKα","","0.0452","0.0381","","","0.1055","0.1112","","","","","","1.049","","","","has coordinates,has Fobs","275426","2022-05-14","01:42:40",""
"2244090","15.835","0.002","7.0408","0.0008","37.245","0.004","90","","96.464","0.004","90","","4126.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[8-Phenyl-9-(phenylethynyl)-4<i>H</i>-benzo[<i>def</i>]carbazol-4-yl]ethan-1-one","","- C30 H19 N O -","- C30 H19 N O -","- C240 H152 N8 O8 -","8","2","EX2054","Hsiao, Huan-Chang; Chen, Pei-Lin; Chuang, Shih-Ching","Crystal structure and fluorescence of 1-[8-phenyl-9-(phenylethynyl)-4<i>H</i>-benzo[<i>def</i>]carbazol-4-yl]ethan-1-one","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004509","","","0.71073","MoKα","","0.0907","0.0496","","","0.0976","0.113","","","","","","1.003","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2244091","10.1072","0.0003","10.1072","0.0003","18.2874","0.0006","90","","90","","90","","1868.16","0.1","100","1","100","1","","","","","","","","2","P 42/n :2","-P 4bc","86","","Lanthanum telluride (1/1.9)","","- La Te1.9 -","- La Te1.9 -","- La20 Te38 -","20","2.5","WM5644","Poddig, Hagen; Doert, Thomas","LaTe~1.9~: a tenfold superstructure of the ZrSSi type","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004844","","x-ray","0.71073","MoKα","","0.0417","0.0271","","","0.0564","0.0606","","","","","","1.122","","","","has coordinates,has Fobs","275428","2022-05-14","01:43:39",""
"2244092","13.9798","0.0003","11.8411","0.0002","15.7406","0.0003","90","","91.901","0.002","90","","2604.21","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C128 H112 N8 O16 -","4","1","WM5643","Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004777","","","1.54184","CuKα","","0.0746","0.0738","","","0.1858","0.1866","","","","","","1.108","","","","has coordinates,has Fobs","275429","2022-05-14","01:44:05",""
"2244093","15.5987","0.0003","13.0782","0.0003","11.0396","0.0002","90","","109.063","0.001","90","","2128.6","0.08","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-Benzylidene-4-oxopentanoic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","2","VM2263","Assila, Hamza; Zaoui, Younes; Ameziane El Hassani, Issam; El Ghammarti, Samira; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-benzylidene-4-oxopentanoic acid","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004789","","","1.54178","CuKα","","0.042","0.0371","","","0.0937","0.0977","","","","","","1.039","","","","has coordinates,has Fobs","275430","2022-05-14","01:44:34",""
"2244094","11.4741","0.001","7.677","0.0005","17.2226","0.0014","90","","108.166","0.006","90","","1441.5","0.2","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-<i>tert</i>-Butyl-4-methylphenol–\ 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (2/1)","","- C30 H48 N4 O2 -","- C30 H48 N4 O2 -","- C60 H96 N8 O4 -","2","0.5","YZ2019","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","First hydrogen-bonded adduct of sterically hindered 2-<i>tert</i>-butyl-4-methylphenol (TBMP) with 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD) <i>via</i> coupling of classical hydrogen bonds and C—H···π non-covalent interactions","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004972","","","0.71073","MoKα","","0.0575","0.0495","","","0.1268","0.1318","","","","","","1.05","","","","has coordinates,has Fobs","275502","2022-05-18","01:43:32",""
"2244095","10.7979","0.0001","10.2238","0.001","17.7316","0.0002","90","","100.526","0.001","90","","1924.55","0.19","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","<i>N</i>-{[5-(4-Methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-<i>N</i>-(prop-2-en-1-yl)methanesulfonamide","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","JY2020","Khrustalev, Victor N.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Potkin, Vladimir I.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of <i>N</i>-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-<i>N</i>-(prop-2-en-1-yl)methanesulfonamide","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005035","","","1.54178","CuKα","","0.0452","0.0451","","","0.1244","0.1246","","","","","","1.094","","","","has coordinates,has Fobs","275503","2022-05-18","01:43:59",""
"2244096","11.2574","0.0007","8.8445","0.0005","11.9039","0.0009","90","","110.126","0.008","90","","1112.85","0.14","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","<i>N</i>-Benzylcinchonidinium bromide","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol bromide","","- C26 H29 Br N2 O -","- C26 H29 Br N2 O -","- C52 H58 Br2 N4 O2 -","2","1","PK2664","Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W.","Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005096","","x-ray","0.71073","MoKα","","0.0615","0.0405","","","0.0777","0.0844","","","","","","1.012","","","","has coordinates,has Fobs","275504","2022-05-18","01:44:56",""
"2244097","9.9254","0.0002","9.9254","0.0002","47.1267","0.0014","90","","90","","90","","4642.62","0.19","173","","173","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","<i>N</i>-Benzylcinchonidinium bromide sesquihydrate","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol bromide sesquihydrate","","- C26 H32 Br N2 O2.5 -","- C26 H32 Br N2 O2.5 -","- C208 H256 Br8 N16 O20 -","8","1","PK2664","Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W.","Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005096","","","0.71073","MoKα","","0.0546","0.0509","","","0.1091","0.1105","","","","","","1.054","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2244098","9.2135","0.0004","9.406","0.0004","12.9032","0.0005","79.866","0.002","70","0.002","67.753","0.002","971.17","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II)","","- C19 H20 Cl2 N2 Pd S -","- C19 H20 Cl2 N2 Pd S -","- C38 H40 Cl4 N4 Pd2 S2 -","2","1","TX2049","Butcher, Ray J.; Singh, Puspendra; Shabbani, Gulam","Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II)","Acta Crystallographica Section E","2022","78","6","1","0","10.1107/S2056989022004960","","","0.71073","MoKα","","0.085","0.0454","","","0.0792","0.0897","","","","","","1.041","","","","has coordinates,has Fobs","275507","2022-05-18","01:46:35",""
"2244099","6.7641","0.0003","6.9254","0.0003","31.4538","0.0014","90","","90","","90","","1473.42","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-Acetoxylinden-7(11),8-trieno-12,8-lactone","(4a<i>R</i>,5<i>S</i>,5a<i>R</i>,6a<i>S</i>,6b<i>R</i>)-5-(Acetoxymethyl)-4a,5,5a,6,6a,6b-hexahydro-3,6b-dimethylcyclopropa[2,3]indeno[5,6-<i>b</i>]furan-2(4<i>H</i>)-one","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","ZN2018","Lu, Qiang-Qiang; Shi, Xin-Wei; Zhou, Ya-Fu; Cui, Xin-Ai; Wang, Hong","Crystal structure and Hirshfeld analysis of (1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-acetoxylinden-7(11),8-trieno-12,8-lactone","Acta Crystallographica Section E","2022","78","6","1","0","10.1107/S2056989022004625","","","0.71073","MoKα","","0.0842","0.0505","","","0.1014","0.1168","","","","","","1.054","","","","has coordinates,has Fobs","275591","2022-05-21","02:01:57",""
"2244100","4.8487","0.0004","18.4455","0.0015","9.0782","0.0007","90","","94.808","0.001","90","","809.07","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hypoxanthinium bromide monohydrate","6-Oxo-6,9-dihydro-1<i>H</i>-purin-7-ium bromide monohydrate","","- C5 H7 Br N4 O2 -","- C5 H7 Br N4 O2 -","- C20 H28 Br4 N16 O8 -","4","1","JQ2017","Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim","A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005278","","","0.71073","MoKα","","0.0276","0.0213","","","0.0536","0.0561","","","","","","1.049","","","","has coordinates,has Fobs","275592","2022-05-21","02:02:36",""
"2244101","4.9225","0.0002","22.7572","0.0017","7.5601","0.0005","90","","103.003","0.003","90","","825.18","0.09","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xanthinium bromide monohydrate","2,6-Dioxo-2,3,6,9-tetrahydro-1<i>H</i>-purin-7-ium bromide monohydrate","","- C5 H7 Br N4 O3 -","- C5 H7 Br N4 O3 -","- C20 H28 Br4 N16 O12 -","4","1","JQ2017","Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim","A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005278","","","0.71073","MoKα","","0.0621","0.036","","","0.0687","0.0802","","","","","","1.1","","","","has coordinates,has Fobs","275592","2022-05-21","02:02:37",""
"2244102","25.3144","0.0003","9.25765","0.00011","15.6778","0.0002","90","","97.8724","0.001","90","","3639.49","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-5,6,7,8-tetrahydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4<i>H</i>-chromene-3-carbonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C176 H160 N16 O16 -","8","1","HB8021","Hebishy, Ali M. S.; Elgemeie, Galal H.; Ali, Rasha A. E.; Jones, Peter G.","Crystal structure of 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005199","","","1.54184","CuKα","","0.0373","0.0355","","","0.0848","0.086","","","","","","1.067","","","","has coordinates,has Fobs","275593","2022-05-21","02:03:09",""
"2244103","12.0085","0.0001","12.4719","0.0001","15.4909","0.0001","90","","94.489","0.001","90","","2312.94","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4'-amino-3',5'-dicyano-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indolin]-3'-ene-5'-carboximidate","","- C23 H16 N6 O3 -","- C23 H16 N6 O3 -","- C92 H64 N24 O12 -","4","1","DX2045","Naghiyev, Farid N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of methyl 4'-amino-3',5'-dicyano-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indolin]-3'-ene-5'-carboximidate with an unknown solvent","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005370","","","1.54184","CuKα","","0.047","0.0457","","","0.1269","0.1283","","","","","","1.042","","","","has coordinates,has Fobs","275636","2022-05-25","01:56:03",""
"2244104","11.0812","0.0002","7.63258","0.00017","23.7986","0.0005","90","","90","","90","","2012.84","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","","- C14 H26 Ni O14 -","- C14 H26 Ni O14 -","- C56 H104 Ni4 O56 -","4","0.5","YZ2020","Ruzmetov, Abror; Ibragimov, Aziz; Ashurov, Jamshid; Boltaeva, Zebo; Ibragimov, Bakhtiyar; Usmanov, Sultan","Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","Acta Crystallographica Section E","2022","78","6","","","10.1107/S205698902200531X","","","1.54184","CuKα","","0.04","0.0338","","","0.0964","0.1012","","","","","","1.05","","","","has coordinates,has Fobs","275637","2022-05-25","01:56:36",""
"2244105","7.865","0.0005","9.9173","0.0006","12.2291","0.0007","90","","100.836","0.002","90","","936.86","0.1","276","2","276","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Triaminopyrimidine-1,3-diium dinitrate","","- C4 H9 N7 O6 -","- C4 H9 N7 O6 -","- C16 H36 N28 O24 -","4","1","MW2185","Dilshad, Sumra; Çınar, Emine Berrin; Ali, Arif; Ahmed, Adeeba; Alam, Mohd Jane; Ahmad, Musheer; Ahmad, Aiman; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 2,4,6-triaminopyrimidine-1,3-diium dinitrate","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005333","","","0.71073","MoKα","","0.046","0.0399","","","0.1041","0.1099","","","","","","1.074","","","","has coordinates,has Fobs","275667","2022-05-27","01:55:44",""
"2244106","6.6235","0.0001","25.1848","0.0003","9.8283","0.0001","90","","96.504","0.001","90","","1628.92","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","HB8023","Guseinov, Firudin I.; Kobrakov, Konstantin I.; Shuvalova, Elena V.; Tuzharov, Egor I.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022005564","","x-ray","1.54184","CuKα","","0.0565","0.0549","","","0.1522","0.153","","","","","","1.118","","","","has coordinates,has Fobs","275668","2022-05-27","01:56:13",""
"2244107","18.7222","0.0014","9.787","0.0006","16.9398","0.0015","90","","113.758","0.004","90","","2840.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6-Diacetylresorcinol–1-aminopyrene (2/1)","","- C36 H31 N O8 -","- C36 H31 N O8 -","- C144 H124 N4 O32 -","4","0.5","YK2169","Magrashi, Maryam Ali; Aazam, Elham Shafik","The co-crystal 4,6-diacetylresorcinol–1-aminopyrene (2/1)","Acta Crystallographica Section E","2022","78","6","679","681","10.1107/S2056989022005588","","","0.71073","MoKα","","0.0686","0.0611","","","0.1492","0.1529","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","275714","2022-06-01","02:04:31",""
"2244108","10.0939","0.0005","9.6423","0.0005","10.2799","0.0005","90","","115.531","0.002","90","","902.83","0.08","172","2","172","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-(4-methoxyphenyl)acetamide","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","VM2264","Missioui, Mohcine; Guerrab, Walid; Nchioua, Intissar; El Moutaouakil Ala Allah, Abderrazzak; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 2-chloro-<i>N</i>-(4-methoxyphenyl)acetamide","Acta Crystallographica Section E","2022","78","7","","","10.1107/S205698902200576X","","","0.71073","MoKα","","0.0384","0.0323","","","0.0864","0.0913","","","","","","1.103","","","","has coordinates,has Fobs","275902","2022-06-08","02:17:43",""
"2244109","20.8269","0.0002","9.09843","0.0001","9.0158","0.0001","90","","90","","90","","1708.42","0.03","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,2'-(Phenylazanediyl)bis(1-phenylethan-1-one)","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","0.5","TX2050","Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one)","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005382","","","1.54184","CuKα","","0.0517","0.0505","","","0.1407","0.1418","","","","","","1.089","","","","has coordinates,has Fobs","275903","2022-06-08","02:18:07",""
"2244110","21.1019","0.0003","9.01359","0.00011","10.03985","0.00011","90","","96.1425","0.0011","90","","1898.65","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","TX2051","Khalilov, Ali N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005928","","","1.54184","CuKα","","0.0357","0.0334","","","0.0942","0.0958","","","","","","1.072","","","","has coordinates,has Fobs","275968","2022-06-11","01:49:40",""
"2244111","8.5167","0.0004","7.8697","0.0004","13.1617","0.0007","90","","94.89","0.005","90","","878.94","0.08","298","0.4","298","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Cl2 N2 O2 Zn -","- C18 H14 Cl2 N2 O2 Zn -","- C36 H28 Cl4 N4 O4 Zn2 -","2","1","ZV2014","Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree","Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005953","","x-ray","0.71073","MoKα","","0.0693","0.044","","","0.067","0.0773","","","","","","1.029","","","","has coordinates,has Fobs","275969","2022-06-11","01:50:28",""
"2244112","16.3922","0.0011","7.3527","0.0006","15.5809","0.001","90","","97.113","0.006","90","","1863.5","0.2","297.8","0.3","297.8","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromidobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 Br2 N2 O2 Zn -","- C18 H14 Br2 N2 O2 Zn -","- C72 H56 Br8 N8 O8 Zn4 -","4","1","ZV2014","Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree","Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005953","","x-ray","0.71073","MoKα","","0.0883","0.0416","","","0.0729","0.0903","","","","","","1.015","","","","has coordinates,has Fobs","275969","2022-06-11","01:50:29",""
"2244113","16.7231","0.0007","7.6155","0.0004","15.8689","0.0007","90","","97.192","0.004","90","","2005.08","0.16","297.4","0.5","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diiodidodobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)","","- C18 H14 I2 N2 O2 Zn -","- C18 H14 I2 N2 O2 Zn -","- C72 H56 I8 N8 O8 Zn4 -","4","1","ZV2014","Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree","Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005953","","","0.71073","MoKα","","0.0536","0.0349","","","0.0726","0.0851","","","","","","1.069","","","","has coordinates,has Fobs","275969","2022-06-11","01:50:29",""
"2244114","8.6752","0.0002","8.8765","0.0002","20.2299","0.0006","78.107","0.002","87.922","0.002","89.512","0.002","1523.37","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","<i>rac</i>-2-[7-Methyl-4-(4-methylphenyl)-4-(phenylimino)-6,6-bis(propan-2-yl)-3-oxa-4λ^6^-thia-5-aza-6-silaoct-4-en-1-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione","","- C32 H41 N3 O3 S Si -","- C32 H41 N3 O3 S Si -","- C64 H82 N6 O6 S2 Si2 -","2","1","ZL5029","Friedrich, Erik; Heinrich, Timo; Rosenberger, Lara; Krier, Mireille; Marek, Stephanie; Reggelin, Michael","Synthesis and crystal structure of <i>rac</i>-2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methyl-<i>N</i>-phenyl-<i>N</i>'-(triisopropylsilyl)benzenesulfondiimidoate: the first member of a new substance class","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005904","","x-ray","1.54184","CuKα","","0.0518","0.0408","","","0.103","0.1083","","","","","","1.054","","","","has coordinates,has Fobs","275970","2022-06-11","01:51:10",""
"2244115","16.4968","0.001","14.8697","0.0009","16.1836","0.0009","90","","114.879","0.003","90","","3601.5","0.4","99.9","","99.9","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 5-methyl-3-(10-nitroanthracen-9-yl)isoxazole-4-carboxylate","","- C21 H16 N2 O5 -","- C21 H16 N2 O5 -","- C168 H128 N16 O40 -","8","2","HB8020","Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R.","Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005710","","","0.71073","MoKα","","0.0863","0.0587","","","0.1416","0.1584","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","275971","2022-06-11","01:51:52",""
"2244116","8.2862","0.0004","23.5895","0.0011","8.6219","0.0004","90","","97.728","0.002","90","","1669.99","0.14","100.01","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(9-hydroxy-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-carboxylate","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","HB8020","Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R.","Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022005710","","","0.71073","MoKα","","0.0711","0.0512","","","0.1072","0.1142","","","","","","1.128","","","","has coordinates,has Fobs","275971","2022-06-11","01:51:53",""
"2244117","13.8678","0.0005","13.5442","0.0005","8.3017","0.0003","90","","90","","90","","1559.29","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2-(4-Bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene","","- C14 H8 Br3 N3 O2 -","- C14 H8 Br3 N3 O2 -","- C56 H32 Br12 N12 O8 -","4","1","YK2170","Akkurt, Mehmet; Yıldırım, Sema Öztürk; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Niyazova, Ayten A.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2022","78","7","","","10.1107/S205698902200620X","","","0.71073","MoKα","","0.0489","0.0333","","","0.0769","0.0847","","","","","","1.023","","","","has coordinates,has Fobs","276079","2022-06-17","01:55:24",""
"2244118","19.998","0.003","9.7472","0.0009","23.54","0.003","90","","90","","90","","4588.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C208 H240 N16 O32 -","8","1","JQ2018","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022006508","","","0.71073","MoKα","","0.1354","0.0601","","","0.09","0.1086","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","276377","2022-06-29","01:55:26",""
"2244119","17.47811","0.0001","8.9357","0.00006","17.36177","0.0001","90","","90","","90","","2711.55","0.03","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","","- C26 H28 Mn N6 S2 -","- C26 H28 Mn N6 S2 -","- C104 H112 Mn4 N24 S8 -","4","0.5","HB8024","Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian","Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2022","78","7","755","760","10.1107/S2056989022006491","","x-ray","1.54184","CuKα","","0.0282","0.0277","","","0.0777","0.0782","","","","","","1.066","","","","has coordinates,has Fobs","276466","2022-07-01","01:56:49",""
"2244120","17.3733","0.0001","8.94119","0.00005","17.24862","0.0001","90","","90","","90","","2679.37","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C104 H112 Fe4 N24 S8 -","4","0.5","","Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian","Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II)","Acta Crystallographica Section E","2022","78","7","755","760","10.1107/S2056989022006491","","x-ray","1.54184","CuKα","","0.0261","0.0256","","","0.0723","0.0728","","","","","","1.056","","","","has coordinates,has Fobs","276466","2022-07-01","01:56:50",""
"2244121","11.6365","0.0003","11.6365","0.0003","16.304","0.0004","90","","90","","90","","2207.69","0.1","300","2","300","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Nonastrontium dilanthanum tetrakis[orthotungstate(VI)]","","- La2 O24 Sr9 W4 -","- La2.0002 O24 Sr8.9998 W4 -","- La8.0008 O96 Sr35.9992 W16 -","4","0.25","WM5650","Simura, Rayko; Watanabe, Tomoki; Yamane, Hisanori","Sr~9~La~2~(WO~6~)~4~ containing [WO~6~] octahedra","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006648","","","0.71073","MoKα","","0.028","0.0252","","","0.0458","0.0464","","","","","","1.366","","","","has coordinates,has Fobs","276583","2022-07-06","01:49:36",""
"2244122","14.416","0.003","5.8569","0.001","25.354","0.005","90","","96.116","0.003","90","","2128.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","ZV2017","Liu, Xiaozhou; Wang, Lu; Feng, Ying; Cui, Deliang; Liu, Zhi","Crystal structure of 8-hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006740","","","0.71073","MoKα","","0.1086","0.0445","","","0.1142","0.1404","","","","","","1","","","","has coordinates,has Fobs","276584","2022-07-06","01:50:15",""
"2244123","9.255","0.0006","9.255","0.0006","11.4441","0.0008","90","","90","","120","","848.92","0.1","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","Tribarium hexahydroxidostannate(IV) bis[selenate(VI)] trihydrate","","- Ba3 H12 O17 Se2 Sn -","- Ba3 H12 O17 Se2 Sn -","- Ba6 H24 O34 Se4 Sn2 -","2","0.333333","PK2667","Reuter, Hans; Kamaha, Shouassi","Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007198","","","0.71073","MoKα","","0.0081","0.0081","","","0.0179","0.0179","","","","","","1.127","","","","has coordinates,has Fobs","276893","2022-07-23","04:06:02",""
"2244124","7.3729","0.0006","8.4842","0.0007","15.5411","0.0013","88.954","0.004","81.333","0.004","89.352","0.003","960.85","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","1-(2-Methoxyphenyl)piperazinium 3,5-dintrosalicylate","4-(2-Methoxyphenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C36 H40 N8 O16 -","2","1","","Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal","Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006831","","","0.71073","MoKα","","0.1005","0.048","","","0.1108","0.1395","","","","","","1.023","","","","has coordinates,has disorder","276894","2022-07-23","04:06:23",""
"2244125","9.2008","0.0004","9.3137","0.0004","10.647","0.0004","86.551","0.002","79.378","0.002","72.369","0.002","854.61","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt","","- C26 H40 Co2 N4 O22 -","- C26 H40 Co2 N4 O22 -","- C26 H40 Co2 N4 O22 -","1","0.5","JQ2016","Velazquez-Garcia, Jose de Jesus; Techert, Simone","Synthesis and structure of hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007046","","","0.71073","MoKα","","0.0315","0.0263","","","0.0662","0.0693","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","276895","2022-07-23","04:07:01",""
"2244126","7.1426","0.0004","17.0566","0.0009","11.152","0.0006","90","","90","","90","","1358.63","0.13","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4'-ethoxy-4-fluorochalcone","(2<i>E</i>)-1-(4-Ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","ZL5033","Bernhard, Merle; Lutter, Jacob C.; Predecki, Allison","Crystal structure of (2<i>E</i>)-1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007423","","","0.71073","MoKα","","0.04","0.039","","","0.1032","0.1042","","","","","","1.096","","","","has coordinates,has Fobs","276896","2022-07-23","04:07:22",""
"2244127","10.443","0.0006","18.4563","0.0011","14.2378","0.0009","90","","107.93","0.002","90","","2610.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Benzyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-\ hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","YK2171","Sughanya, V.; Loganathan, B.; Praveenkumar, D.; Ayyappan, J.; Sundararajan, M. L.; Prabhakaran, A.; Dhandapani, A.; Suresh Babu, N.","Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006557","","","0.71073","MoKα","","0.1017","0.0518","","","0.1115","0.1453","","","","","","1.02","","","","has coordinates,has Fobs","276897","2022-07-23","04:07:47",""
"2244128","20.4223","0.0003","11.326","0.0002","7.4019","0.0001","90","","98.31","0.001","90","","1694.11","0.05","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[zinc(II)-bis(μ~2~-5-phenyl-1,3,4-oxadiazole-2-thiolato)-κ^2^<i>N</i>^3^:<i>S</i>;κ^2^<i>S</i>: <i>N</i>^3^]","","- C16 H10 N4 O2 S2 Zn -","- C16 H10 N4 O2 S2 Zn -","- C64 H40 N16 O8 S8 Zn4 -","4","0.5","DJ2049","Pirimova, Mehribon; Torambetov, Batirbay; Kadirova, Shakhnoza; Ziyaev, Abdukhakim; Gonnade, Rajesh G.; Ashurov, Jamshid","Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006922","","x-ray","1.54184","CuKα","","0.0267","0.0256","","","0.072","0.0728","","","","","","1.088","","","","has coordinates,has Fobs","276898","2022-07-23","04:08:09",""
"2244129","8.9102","0.0004","13.5595","0.0007","22.052","0.0012","90","","98.024","0.002","90","","2638.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(4-Amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)malononitrile dimethylformamide hemisolvate","2-(4-Amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)propanedinitrile dimethylformamide hemisolvate","","- C27 H27 N13 O -","- C27 H27 N13 O -","- C108 H108 N52 O4 -","4","1","ZL5032","Mahmudov, Ibadulla; Atioğlu, Zeliha; Akkurt, Mehmet; Abdullayev, Yusif; Sujayev, Afsun; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)malononitrile dimethylformamide hemisolvate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022006910","","","0.71073","MoKα","","0.0639","0.0453","","","0.1015","0.1107","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","276899","2022-07-23","04:08:44",""
"2244130","6.6579","0.0001","15.7683","0.0003","29.0301","0.0006","90","","90","","90","","3047.69","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-Bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","","- C14 H8 Br3 N3 O2 -","- C14 H8 Br3 N3 O2 -","- C112 H64 Br24 N24 O16 -","8","1","YK2172","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gülnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007113","","","0.71073","MoKα","","0.0337","0.0244","","","0.0596","0.064","","","","","","1.047","","","","has coordinates,has Fobs","276900","2022-07-23","04:09:23",""
"2244131","6.0768","0.0003","7.4427","0.0004","18.4737","0.0009","78.894","0.002","85.87","0.003","83.668","0.002","813.77","0.07","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium benzoate monohydrate","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","HB8030","Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher","Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007472","","","0.71073","MoKα","","0.045","0.0355","","","0.085","0.0911","","","","","","1.04","","","","has coordinates,has Fobs","276956","2022-07-27","02:06:58",""
"2244132","7.9599","0.0004","8.5391","0.0004","14.2227","0.0005","90.426","0.002","105.273","0.001","98.538","0.002","921.15","0.07","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C17 H17 N5 O9 -","- C17 H17 N5 O9 -","- C34 H34 N10 O18 -","2","1","HB8030","Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher","Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007472","","","0.71073","MoKα","","0.0363","0.0293","","","0.0728","0.0772","","","","","","1.043","","","","has coordinates,has Fobs","276956","2022-07-27","02:06:58",""
"2244133","27.539","0.003","6.343","0.0006","21.354","0.0019","90","","118.17","0.012","90","","3288.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate","","- C36 H30 Br2 N6 O3 -","- C36 H30 Br2 N6 O3 -","- C144 H120 Br8 N24 O12 -","4","0.5","TX2055","Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007356","","","0.745","synchrotron","","0.035","0.0307","","","0.0824","0.0855","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","276957","2022-07-27","02:07:40",""
"2244134","8.6444","0.0001","8.9104","0.0002","16.0902","0.0002","79.196","0.001","86.485","0.001","69.003","0.002","1136.52","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile","","- C13 H9 N5 O -","- C13 H9 N5 O -","- C52 H36 N20 O4 -","4","2","TX2055","Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007356","","","0.71073","MoKα","","0.0438","0.0394","","","0.1146","0.1177","","","","","","1.028","","","","has coordinates,has Fobs","276957","2022-07-27","02:07:40",""
"2244135","9.9635","0.0004","14.4905","0.0006","20.1131","0.0008","96.736","0.004","101.49","0.004","95.216","0.004","2806.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^4^,<i>N</i>^5^]iron(II)} bis(toluenesulfonate) 2.75-hydrate","","- C48 H51.5 Fe2 N16 O12.75 S2 -","- C48 H51.5 Fe2 N16 O12.75 S2 -","- C96 H103 Fe4 N32 O25.5 S4 -","2","1","VM2269","Petrenko, Yuliia P.; Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Gural'skiy, Il`ya A.; Shova, Sergiu; Lampeka, Rostyslav D.; Raspertova, Ilona V.","Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007460","","x-ray","0.71073","MoKα","","0.0867","0.0582","","","0.1173","0.1318","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","276958","2022-07-27","02:08:09",""
"2244136","14.2508","0.0003","15.3046","0.0004","15.2593","0.0003","90","","113.311","0.0013","90","","3056.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","2-{[(3-{[Bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylphenyl)methyl](2-hydroxyethyl)amino}ethan-1-ol","","- C30 H50 N4 O4 -","- C30 H50 N4 O4 -","- C120 H200 N16 O16 -","4","1","JQ2019","Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structure of 1,3-bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007411","","","0.71073","MoKα","","0.0736","0.0488","","","0.1287","0.1441","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","276959","2022-07-27","02:08:34",""
"2244137","14.8117","0.0018","10.7086","0.0013","15.1887","0.0019","90","","112.417","0.003","90","","2227.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl (3<i>E</i>)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C23 H20 Cl2 N4 O3 S -","- C23 H20 Cl2 N4 O3 S -","- C92 H80 Cl8 N16 O12 S4 -","4","1","VM2265","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Seri, Sahar M. Abou; Abdel-Raheem, Shaban A. A.; Ul-Malik, Mokhtar A. Abd","Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2022","78","8","","","10.1107/S205698902200603X","","","1.54178","CuKα","","0.0362","0.0316","","","0.0782","0.0816","","","","","","1.046","","","","has coordinates,has Fobs","276960","2022-07-27","02:08:56",""
"2244138","10.8398","0.0007","19.0207","0.0011","9.3307","0.0005","90","","112.378","0.002","90","","1778.93","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Azido-<i>N</i>-(4-fluorophenyl)acetamide","","- C8 H7 F N4 O -","- C8 H7 F N4 O -","- C64 H56 F8 N32 O8 -","8","2","VM2266","Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2022","78","8","855","859","10.1107/S2056989022006764","","","1.54178","CuKα","","0.065","0.0533","","","0.1485","0.1622","","","","","","1.058","","","","has coordinates,has Fobs","277011","2022-07-30","01:56:59",""
"2244139","14.5241","0.0007","10.0718","0.0005","13.271","0.0007","90","","97.042","0.002","90","","1926.69","0.17","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-<i>N</i>'-(2-Hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","TX2052","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdel-Rahman, Laila H.; Abdel-Hameed, Mohamed; Albayati, Mustafa R.; Al-Taif, Elham A.","Crystal structure and Hirshfeld surface analysis of (±)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide","Acta Crystallographica Section E","2022","78","8","860","863","10.1107/S2056989022007605","","","1.54178","CuKα","","0.0443","0.0405","","","0.1056","0.1091","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","277012","2022-07-30","01:57:24",""
"2244140","11.6407","0.0004","7.4412","0.0002","42.2828","0.0012","90","","93.038","0.002","90","","3657.42","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-[1-(2-Hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C168 H156 N12 O48 -","12","3","ZN2020","Faraj, Imane; Oubella, Ali; Chkirate, Karim; Al Mamari, Khalil; Hökelek, Tuncer; Mague, Joel T.; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT calculations of (<i>E</i>)-3-[1-(2-hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione","Acta Crystallographica Section E","2022","78","8","864","870","10.1107/S2056989022007514","","","1.54178","CuKα","","0.0857","0.0561","","","0.1282","0.146","","","","","","1.039","","","","has coordinates,has Fobs","277013","2022-07-30","01:57:48",""
"2244141","14.4316","0.0003","10.8518","0.0002","15.594","0.0003","90","","109.941","0.001","90","","2295.74","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl (3<i>E</i>)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate 0.25-hydrate","","- C24 H23.5 F N4 O4.25 S -","- C24 H23.5 F N4 O4.25 S -","- C96 H94 F4 N16 O17 S4 -","4","1","WM5648","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Ragab, Fatma A. F.; Abd ul-Malik, Mokhtar A.","Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate 0.25-hydrate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022006041","","","1.54178","CuKα","","0.0391","0.0349","","","0.0848","0.0881","","","","","","1.038","","","","has coordinates,has Fobs","277183","2022-08-10","01:42:06",""
"2244142","7.5654","0.0003","11.4972","0.0002","12.1025","0.0003","90","","105.583","0.003","90","","1013.99","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-2,3-dihydropyrrolo[2,1-<i>b</i>]quinazolin-9(1<i>H</i>)-one","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C44 H36 Br4 N8 O4 -","4","1","WM5655","Tojiboev, Akmaljon; Elmuradov, Burkhon; Kattaev, Nuritdin; Abdurazakov, Asqar; Nasrullayev, Azizbek; Tashkhodjaev, Bakhodir","Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-dihydropyrrolo[2,1-<i>b</i>]quinazolin-9(1<i>H</i>)-one","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007800","","","1.54184","CuKα","","0.0382","0.0357","","","0.0971","0.0994","","","","","","1.082","","","","has coordinates,has Fobs","277184","2022-08-10","01:42:43",""
"2244143","8.3023","0.0008","10.0792","0.0009","10.1052","0.0009","116.966","0.003","105.481","0.002","92.871","0.001","711.77","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(Diazenediyl)dipyridinium nitrate perchlorate","","- C10 H10 Cl N5 O7 -","- C10 H10 Cl N5 O7 -","- C20 H20 Cl2 N10 O14 -","2","1","YK2173","Qiu, Qi-Ming; Song, Jian-Biao; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan","Crystal structure of 4,4'-(diazenediyl)dipyridinium nitrate perchlorate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007885","","","0.71073","MoKα","","0.0948","0.081","","","0.233","0.2497","","","","","","1.004","","","","has coordinates,has Fobs","277236","2022-08-13","01:50:51",""
"2244144","24.367","0.002","4.3979","0.0005","10.1424","0.0009","90","","90","","90","","1086.9","0.18","293.15","","293.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide","","- C9 H11 N5 O2 -","- C9 H11 N5 O2 -","- C36 H44 N20 O8 -","4","1","VM2270","Plutenko, Maksym O.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Potaskalov, Vadim A.; Kalibabchuk, Valentina A.","Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007927","","","0.71073","MoKα","","0.051","0.0372","","","0.0804","0.0882","","","","","","1.011","","","","has coordinates,has Fobs","277237","2022-08-13","01:51:13",""
"2244145","13.8643","0.0005","14.3017","0.0005","20.0502","0.0007","86.4852","0.0013","80.0328","0.0013","73.6493","0.0012","3756.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","Tris(dicyclohexylamido)(triphenylphosphine oxide)titanium methyltris(pentafluorophenyl)borate toluene sesquisolvate","","- C83.5 H96 B F15 N3 O P Ti -","- C83.5 H96 B F15 N3 O P Ti -","- C167 H192 B2 F30 N6 O2 P2 Ti2 -","2","1","WM5649","Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2)","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007952","","","0.71073","MoKα","","0.0634","0.0518","","","0.1241","0.1301","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","277275","2022-08-17","01:45:09",""
"2244146","12.1151","0.0005","13.2796","0.0006","21.1662","0.001","77.916","0.0019","88.8857","0.0018","87.9827","0.0018","3327.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris(dicyclohexylamido)(4-fluorobenzonitrile)titanium methyltris(pentafluorophenyl)borate toluene sesquisolvate","","- C72.5 H85 B F16 N4 Ti -","- C72.5 H85 B F16 N4 Ti -","- C145 H170 B2 F32 N8 Ti2 -","2","1","","Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2)","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007952","","","0.71073","MoKα","","0.0658","0.0442","","","0.1053","0.1177","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","277275","2022-08-17","01:45:12",""
"2244147","13.8608","0.0005","8.8352","0.0003","15.5411","0.0006","90","","98.468","0.001","90","","1882.46","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-\ 1-yl]acetamide","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","ZN2021","Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-1-yl]acetamide","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007848","","","0.71073","MoKα","","0.0531","0.045","","","0.1205","0.1285","","","","","","1.066","","","","has coordinates,has Fobs","277316","2022-08-19","01:41:16",""
"2244148","27.091","0.003","6.2408","0.0005","18.685","0.002","90","","90.975","0.003","90","","3158.6","0.5","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ebastinium hydrogen fumarate","1-[4-(4-<i>tert</i>-Butylphenyl)-4-oxobutyl]-4-(diphenylmethoxy)piperidin-1-ium (<i>E</i>)-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C36 H43 N O6 -","- C36 H43 N O6 -","- C144 H172 N4 O24 -","4","1","HB8035","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structure of ebastinium hydrogen fumarate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008118","","","0.71073","MoKα","","0.0731","0.0469","","","0.103","0.1137","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","277317","2022-08-19","01:41:49",""
"2244149","18.6588","0.0002","5.4739","0.0001","35.5689","0.0005","90","","100.729","0.001","90","","3569.37","0.09","200","0.1","200","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4-(3-Methoxyphenyl)-2,6-diphenylpyridine","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","PK2666","Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan","Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007812","","x-ray","1.54184","CuKα","","0.0363","0.0343","","","0.0971","0.0988","","","","","","0.997","","","","has coordinates,has Fobs","277366","2022-08-24","01:30:34",""
"2244150","12.253","0.003","22.699","0.007","12.884","0.003","90","","104.164","0.007","90","","3474.5","1.6","100","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate","","- C37 H60 Cl N3 -","- C37 H60 Cl N3 -","- C148 H240 Cl4 N12 -","4","1","JQ2013","Muñoz Sánchez, Gaby M.; Zdilla, Michael J.","Crystal structure of <i>N</i>-butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008076","","","0.71076","MoKα","","0.0708","0.0548","","","0.126","0.1362","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","277367","2022-08-24","01:31:06",""
"2244151","9.388","0.0009","12.226","0.0012","28.693","0.003","90","","90","","90","","3293.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","","- C17 H14 Br N3 O4 -","- C17 H14 Br N3 O4 -","- C136 H112 Br8 N24 O32 -","8","1","YK2174","Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008271","","","0.745","synchrotron","","0.048","0.0448","","","0.0893","0.0908","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","277423","2022-08-27","02:37:20",""
"2244152","7.4141","0.0005","12.3595","0.0011","19.9917","0.0017","86.695","0.002","83.654","0.002","82.182","0.003","1802.1","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","2","ZL5034","Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher","Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008337","","","0.71073","MoKα","","0.0727","0.0456","","","0.1145","0.1317","","","","","","1.037","","","","has coordinates,has Fobs","277424","2022-08-27","02:38:21",""
"2244153","17.8424","0.0004","8.8124","0.0002","34.9337","0.0009","90","","90","","90","","5492.8","0.2","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate","","- C30 H38 N4 O6 -","- C30 H38 N4 O6 -","- C240 H304 N32 O48 -","8","2","ZL5034","Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher","Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008337","","","1.54178","CuKα","","0.0385","0.0372","","","0.0965","0.0976","","","","","","1.07","","","","has coordinates,has Fobs","277424","2022-08-27","02:38:22",""
"2244154","15.3747","0.0004","4.6699","0.0001","23.0423","0.0005","90","","103.122","0.001","90","","1611.2","0.06","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid","","- C7 H6 N4 O3 -","- C7 H6 N4 O3 -","- C56 H48 N32 O24 -","8","1","WM5656","Irrou, Ezaddine; Elmachkouri, Younesse Ait; Oubella, Ali; Ouchtak, Hassan; Dalbouha, Samira; Mague, Joel T.; Hökelek, Tuncer; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Taha, Mohamed Labd","Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid","Acta Crystallographica Section E","2022","78","9","953","960","10.1107/S2056989022008489","","","1.54178","CuKα","","0.049","0.0476","","","0.1124","0.1143","","","","","","1.155","","","","has coordinates,has Fobs","277533","2022-09-01","02:09:27",""
"2244155","6.5986","0.0007","7.4183","0.0008","13.2847","0.0014","74.1712","0.0014","88.6035","0.0014","77.92","0.0013","611.41","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Hexaaquanickel(II) bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","","- C14 H26 Ni O20 S2 -","- C14 H26 Ni O20 S2 -","- C14 H26 Ni O20 S2 -","1","0.5","MW2190","Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G.","Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions","Acta Crystallographica Section E","2022","78","9","961","965","10.1107/S2056989022008295","","","0.71073","MoKα","","0.0259","0.0228","","","0.0578","0.0592","","","","","","1.082","","","","has coordinates,has Fobs","277534","2022-09-01","02:10:11",""
"2244156","6.7774","0.0011","6.9866","0.0011","13.721","0.002","91.107","0.002","90.401","0.002","117.583","0.0019","575.66","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Hexaaquacobalt(II) bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate","","","- C14 H26 Co O18 S2 -","- C14 H26 Co O18 S2 -","- C14 H26 Co O18 S2 -","1","0.5","MW2190","Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G.","Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions","Acta Crystallographica Section E","2022","78","9","961","965","10.1107/S2056989022008295","","","0.71073","MoKα","","0.0286","0.0239","","","0.0595","0.0619","","","","","","1.049","","","","has coordinates,has Fobs","277534","2022-09-01","02:10:11",""
"2244157","13.395","0.004","9.251","0.002","12.368","0.004","90","","90","","90","","1532.6","0.8","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","hexarubidium hexahydroxydodecaborate dihydrate, Rb~6~[B~12~O~18~(OH)~6~]\χdot2H~2~O","","- B12 H10 O26 Rb6 -","- B12 H10 O26 Rb6 -","- B24 H20 O52 Rb12 -","2","0.25","TX2056","Qiu, Qi-Ming; Yan, Li; Song, Jian-Biao","Crystal structure of Rb~6~[B~12~O~18~(OH)~6~]·2H~2~O","Acta Crystallographica Section E","2022","78","10","971","973","10.1107/S2056989022008611","","","0.71073","MoKα","","0.0785","0.0606","","","0.1637","0.1732","","","","","","1.07","","","","has coordinates,has Fobs","279114","2022-11-08","19:40:43",""
"2244158","13.5689","0.0016","9.2906","0.0008","13.4358","0.0015","90","","118.53","0.015","90","","1488.1","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","isoxaflutole","(5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)\ phenyl]methanone","","- C15 H12 F3 N O4 S -","- C15 H12 F3 N O4 S -","- C60 H48 F12 N4 O16 S4 -","4","1","WM5659","Schinke, Jascha; Gelbrich, Thomas; Griesser, Ulrich J.","Crystal structure, PIXEL calculations of intermolecular interaction energies and solid-state characterization of the herbicide isoxaflutole","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022008647","","x-ray","0.71073","MoKα","","0.0502","0.0381","","","0.089","0.0973","","","","","","1.016","","","","has coordinates,has Fobs","277702","2022-09-07","01:48:45",""
"2244159","12.2966","0.0002","12.2966","0.0002","12.2966","0.0002","90","","90","","90","","1859.32","0.05","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Poly[dimagnesium potassium hexaborate hydroxyide monohydrate]","","- B12 H3 K Mg2 O22 -","- B12 H3.0006 K Mg2 O22.0004 -","- B48 H12.0024 K4 Mg8 O88.0016 -","4","0.166667","TX2057","Qiu, Qi-Ming; Song, Jian-Biao","Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate]","Acta Crystallographica Section E","2022","78","10","1003","1005","10.1107/S2056989022008982","","","0.71073","MoKα","","0.0459","0.0391","","","0.1092","0.1155","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","279113","2022-11-08","19:40:34",""
"2244160","8.0202","0.0001","9.8474","0.0002","19.4712","0.0004","95.422","0.001","94.693","0.001","103.857","0.001","1477.66","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-({4-[(4-Cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate","","- C35 H22 Cl N O7 -","- C35 H22 Cl N O7 -","- C70 H44 Cl2 N2 O14 -","2","1","HB8019","Selvanandan, S.; Anil kumar, H.; Srinivasa, H. T.; Palakshamurthy, B. S.","Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022008441","","","0.71073","MoKα","","0.0472","0.0376","","","0.1063","0.1137","","","","","","1.029","","","","has coordinates,has Fobs","277748","2022-09-09","01:52:51",""
"2244161","8.1644","0.0002","15.9237","0.0003","9.6936","0.0002","90","","106.661","0.002","90","","1207.33","0.05","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","2-[(Morpholin-4-yl)carbothioyl]-1<i>H</i>-1,3-benzodiazole","(1<i>H</i>-Benzimidazol-2-yl)(morpholin-4-yl)methanethione","","- C12 H13 N3 O S -","- C12 H13 N3 O S -","- C48 H52 N12 O4 S4 -","4","1","WM5654","Mutalliev, Lukmonjon Z.; Abdullaev, Sirojiddin; Pirnazarova, Nasiba; Obidova, Ibodat; Turgunov, Kambarali; Yakubov, Ubaydullo; Ashurov, Jamshid M.; Elmuradov, Burkhan Zh.; Mamadrakhimov, Azimjon A.","Synthesis, crystal structure and Hirshfeld surface analysis of (1<i>H</i>-benzimidazol-2-yl)(morpholin-4-yl)methanethione","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022008933","","x-ray","1.54184","CuKα","","0.0305","0.0301","","","0.0781","0.0786","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","277749","2022-09-09","01:53:19",""
"2244162","5.7955","0.0004","7.3789","0.0005","10.0344","0.0007","89.459","0.003","89.719","0.002","78.956","0.002","421.15","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-Phenyl-5<i>H</i>-1,4,2-dithiazole-5-thione","","- C8 H5 N S3 -","- C8 H5 N S3 -","- C16 H10 N2 S6 -","2","1","HB8037","Schriver, Melbourne J.; George, Tanner; Masuda, Jason D.","Synthesis and crystal structure of 3-phenyl-1,4,2-dithiazole-5-thione","Acta Crystallographica Section E","2022","78","10","","","10.1107/S205698902200888X","","","0.71073","MoKα","","0.0463","0.0311","","","0.0675","0.0742","","","","","","1.033","","","","has coordinates,has Fobs","277823","2022-09-14","01:38:07",""
"2244163","6.239","0.001","7.496","0.001","17.817","0.003","93.55","0.02","92.94","0.02","94.87","0.02","827.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Phenylpiperazin-1-ium 4-fluorobenzoate monohydrate","","- C17 H21 F N2 O3 -","- C17 H21 F N2 O3 -","- C34 H42 F2 N4 O6 -","2","1","HB8034","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1634","0.0898","","","0.1867","0.2256","","","","","","1.104","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:02",""
"2244164","6.183","0.002","37.748","0.007","7.506","0.002","90","","93.69","0.04","90","","1748.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Phenylpiperazin-1-ium 4-bromobenzoate monohydrate","","- C17 H21 Br N2 O3 -","- C17 H21 Br N2 O3 -","- C68 H84 Br4 N8 O12 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.2432","0.138","","","0.3076","0.3753","","","","","","1.03","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244165","10.8507","0.0004","23.4045","0.0007","13.3019","0.0004","90","","102.491","0.004","90","","3298.13","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Phenylpiperazin-1-ium 4-iodobenzoate","","- C17 H19 I N2 O2 -","- C17 H19 I N2 O2 -","- C136 H152 I8 N16 O16 -","8","2","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.069","0.0365","","","0.0774","0.0842","","","","","","1.017","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244166","13.0683","0.0009","15.7868","0.0009","7.9255","0.0005","90","","95.137","0.006","90","","1628.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenylpiperazin-1-ium 4-nitrobenzoate","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1163","0.0544","","","0.0974","0.1174","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244167","7.779","0.003","7.411","0.003","31.357","0.009","90","","96.82","0.03","90","","1794.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Phenylpiperazin-1-ium 3,5-dinitrosalicylate","4-Phenylpiperazin-1-ium 2-hydroxy-4,6-dinitrophenolate","","- C17 H18 N4 O7 -","- C17 H18 N4 O7 -","- C68 H72 N16 O28 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.2174","0.0851","","","0.1215","0.1549","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244168","5.707","0.002","12.505","0.003","13.116","0.003","97.41","0.02","93.28","0.02","102.82","0.02","901.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-Phenylpiperazin-1-ium 3,5-dinitrobenzoate","4-Phenylpiperazin-1-ium 2-hydroxy-4,6-dinitrophenolate","","- C17 H18 N4 O6 -","- C17 H18 N4 O6 -","- C34 H36 N8 O12 -","2","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.3097","0.1472","","","0.246","0.2967","","","","","","1.129","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244169","8.517","0.001","6.825","0.001","30.265","0.004","90","","95.33","0.01","90","","1751.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Phenylpiperazin-1-ium picrate","4-Phenylpiperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H17 N5 O7 -","- C16 H17 N5 O7 -","- C64 H68 N20 O28 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1146","0.0642","","","0.1269","0.1488","","","","","","1.048","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244170","6.202","0.002","34.573","0.009","7.596","0.002","90","","93.83","0.02","90","","1625.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenylpiperazin-1-ium benzoate monohydrate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1824","0.0649","","","0.1139","0.1437","","","","","","0.947","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244171","8.325","0.001","10.949","0.002","18.418","0.004","90","","92.67","0.02","90","","1677","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-Phenylpiperazin-1-ium <i>p</i>-toluenesulfonate","4-Phenylpiperazin-1-ium 4-methylbenzenesulfonate","","- C17 H22 N2 O3 S -","- C17 H22 N2 O3 S -","- C68 H88 N8 O12 S4 -","4","2","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.1952","0.1257","","","0.2587","0.2975","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244172","7.1185","0.0007","7.5255","0.0008","29.955","0.003","90","","90","","90","","1604.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Phenylpiperazin-1-ium tartarate monohydrate","4-Phenylpiperazin-1-ium 4-carboxy-2,3-dihydroxybutanoate monohydrate","","- C14 H22 N2 O7 -","- C14 H22 N2 O7 -","- C56 H88 N8 O28 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.0592","0.0445","","","0.0934","0.1003","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244173","26.702","0.001","7.9626","0.0003","6.7571","0.0003","90","","90","","90","","1436.68","0.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Phenylpiperazin-1-ium 4-carboxybut-2-enoate","4-Phenylpiperazin-1-ium fumarate","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.0408","0.0337","","","0.0736","0.0771","","","","","","1.057","","","","has coordinates,has Fobs","279115","2022-11-08","19:41:03",""
"2244174","7.9531","0.0005","13.4224","0.0007","21.2015","0.0011","90","","92.484","0.002","90","","2261.1","0.2","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(3-{2-[Bis(propan-2-yl)azaniumyl]ethyl}-1<i>H</i>-indol-4-yl)oxy]-5-oxopentanoate methanol monosolvate","","- C22 H34 N2 O5 -","- C22 H34 N2 O5 -","- C88 H136 N8 O20 -","4","1","ZN2023","Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009094","","","0.71073","MoKα","","0.0616","0.0498","","","0.1318","0.1433","","","","","","1.034","","","","has coordinates,has Fobs","278103","2022-09-23","02:06:12",""
"2244175","8.0087","0.0012","13.7968","0.0017","21.878","0.003","90","","90.749","0.004","90","","2417.2","0.6","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(3-{2-[Bis(propan-2-yl)azaniumyl]ethyl}-1<i>H</i>-indol-4-yl)oxy]-5-oxopentanoate ethanol monosolvate","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","ZN2023","Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009094","","","0.71073","MoKα","","0.0902","0.0597","","","0.154","0.176","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","278103","2022-09-23","02:06:13",""
"2244176","4.5017","0.0012","14.047","0.004","10.567","0.003","90","","96.3","0.015","90","","664.2","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","Benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C30 H28 N4 O6 -","2","1","YK2176","Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009100","","","1.54184","CuKα","","0.0257","0.0242","","","0.0621","0.0629","","","","","","1.04","","","","has coordinates,has Fobs","278104","2022-09-23","02:06:56",""
"2244177","27.904","0.002","11.1207","0.0006","9.0648","0.0007","90","","94.485","0.002","90","","2804.3","0.3","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate","","- C15 H13 Br N2 O3 -","- C15 H13 Br N2 O3 -","- C120 H104 Br8 N16 O24 -","8","2","YK2176","Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009100","","","0.71073","MoKα","","0.0453","0.028","","","0.0593","0.0635","","","","","","1.033","","","","has coordinates,has Fobs","278104","2022-09-23","02:06:56",""
"2244178","18.7779","0.0004","10.0699","0.0002","15.7288","0.0003","90","","90","","90","","2974.18","0.1","90","0.2","90","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzoyl-4-(4-nitrophenyl)piperazine","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C136 H136 N24 O24 -","8","2","TX2058","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009008","","","1.54178","CuKα","","0.0286","0.0279","","","0.0742","0.0748","","","","","","1.042","","","","has coordinates,has Fobs","278105","2022-09-23","02:10:13",""
"2244179","7.5162","0.0003","6.1125","0.0002","15.7249","0.0005","90","","98.625","0.001","90","","714.28","0.04","90","0.2","90","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Bromobenzoyl)-4-phenylpiperazine","","- C17 H17 Br N2 O -","- C17 H17 Br N2 O -","- C34 H34 Br2 N4 O2 -","2","1","TX2058","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009008","","","0.71073","MoKα","","0.0266","0.0225","","","0.0479","0.0491","","","","","","1.044","","","","has coordinates,has Fobs","278105","2022-09-23","02:11:12",""
"2244180","9.732","0.0011","19.0598","0.0015","10.9186","0.001","90","","110.526","0.004","90","","1896.7","0.3","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>-{[Diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride","<i>tert</i>-Butyl[(ethenyldiphenylsilyl)methyl]azanium chloride","","- C19 H26 Cl N Si -","- C19 H26 Cl N Si -","- C76 H104 Cl4 N4 Si4 -","4","1","HB8033","Schwab, Christoph; Voss, Andreas; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of <i>N-</i>{[diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009112","","","0.71073","MoKα","","0.0504","0.0367","","","0.0825","0.089","","","","","","1.046","","","","has coordinates,has Fobs","278106","2022-09-23","02:12:06",""
"2244181","10.0322","0.0013","12.0784","0.0015","12.9412","0.0016","90","","90","","90","","1568.1","0.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I)","","- C16 H13 Au Cl P S -","- C16.006 H13.005 Au Cl P S -","- C64.024 H52.02 Au4 Cl4 P4 S4 -","4","1","ZL5036","Neils, Thomas; LaDuca, Andrew; Bender, John E.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I)","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009227","","","0.71073","MoKα","","0.0281","0.0254","","","0.0573","0.0587","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","278236","2022-09-28","01:57:06",""
"2244182","13.4639","0.0002","7.8555","0.0001","20.1288","0.0003","90","","90","","90","","2128.94","0.05","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","<i>N</i>-methyl-<i>N</i>'-(Pyridin-2-yl)benzene-1,2-diamine","","- C12 H13 N3 -","- C12 H13 N3 -","- C96 H104 N24 -","8","2","VM2268","Collis, Gavin; Bilyk, Alex; Kazanori, Ueno; Forsyth, Craig M.","Intermolecular hydrogen bonding in <i>N</i>-methyl-<i>N</i>'-(pyridin-2-yl)benzene-1,2-diamine","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009173","","","1.54178","CuKα","","0.0294","0.0285","","","0.0712","0.0721","","","","","","1.064","","","","has coordinates,has Fobs","278237","2022-09-28","01:57:34",""
"2244183","17.305","0.002","17.305","0.002","26.04","0.005","90","","90","","90","","7798","2","100","0.1","100","0.1","","","","","","","","5","I 4/m","-I 4","87","Clozapine <i>N</i>-oxide hemi(hydrochloride)","8-Chloro-11-(4-methyl-1-piperazinyl)-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>][1,4]diazepine <i>N</i>-oxide hemi(hydrochloride)","","- C36 H39 Cl3 N8 O2 -","- C36 H39 Cl3 N8 O2 -","- C288 H312 Cl24 N64 O16 -","8","0.5","HB8039","van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J.","Synthesis and structure of clozapine <i>N</i>-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[<i>n</i>]catenane","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009306","","","0.710757","Synchrotron","","0.0567","0.0491","","","0.1333","0.1384","","","","","","1.032","","","","has coordinates,has Fobs","278238","2022-09-28","01:58:08",""
"2244184","4.5931","0.0005","8.9134","0.0009","15.0764","0.0018","74.808","0.003","85.309","0.004","77.43","0.003","581.18","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","Monoglycidyl ether of isoeugenol","2-[2-Methoxy-4-(prop-1-en-1-yl)phenoxymethyl]oxirane","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","DJ2051","Cattey, Hélène; Boni, Gilles; Pourchet, Sylvie; Plasseraud, Laurent","Crystal structure of the monoglycidyl ether of isoeugenol","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009264","","x-ray","0.71073","MoKα","","0.0811","0.0493","","","0.11","0.1283","","","","","","1.032","","","","has coordinates,has Fobs","278239","2022-09-28","01:58:35",""
"2244192","7.2941","0.0002","9.6773","0.0003","14.4302","0.0004","82.1992","0.0017","88.3216","0.0016","75.9397","0.0016","978.92","0.05","299.64","","299.64","","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C44 H54 N2 O8 -","2","1","JY2021","Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R.","Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009495","","","0.71073","MoKα","","0.0893","0.0546","","","0.1271","0.145","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","278353","2022-10-05","01:56:41",""
"2244193","15.3492","0.0015","14.0314","0.0014","18.3862","0.0018","90","","90.0834","0.0017","90","","3959.8","0.7","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C176 H216 N8 O32 -","8","2","JY2021","Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R.","Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009495","","","0.71073","MoKα","","0.0479","0.039","","","0.0883","0.0934","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","278353","2022-10-05","01:56:43",""
"2244194","9.2745","0.0003","22.1655","0.0007","11.3475","0.0004","90","","108.201","0.0017","90","","2216.03","0.13","100.2","","100.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(3,4-dihydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","JY2021","Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R.","Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009495","","","0.71073","MoKα","","0.0607","0.0446","","","0.1149","0.123","","","","","","1.04","","","","has coordinates,has Fobs","278353","2022-10-05","01:56:46",""
"2244195","18.2934","0.0009","11.7472","0.0004","9.7341","0.0005","90","","117.043","0.006","90","","1863.11","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate]","","- C16 H17 N5 Ni S2 -","- C16 H17 N5 Ni S2 -","- C64 H68 N20 Ni4 S8 -","4","0.5","JY2022","Näther, Christian; Jess, Inke; Krebs, Christoph","Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate]","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009598","","x-ray","1.54178","CuKα","","0.0242","0.024","","","0.0657","0.0658","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","278482","2022-10-07","01:53:22",""
"2244196","12.6854","0.001","26.315","0.002","10.6511","0.0007","90","","90","","90","","3555.5","0.5","180","0.1","180","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","Bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","","- C38 H38 Fe N12 O2 -","- C38 H38 Fe N12 O2 -","- C152 H152 Fe4 N48 O8 -","4","0.5","YZ2021","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009744","","x-ray","0.71073","MoKα","","0.0926","0.0608","","","0.0874","0.0995","","","","","","1.002","","","","has coordinates,has Fobs","278544","2022-10-12","02:10:33",""
"2244197","3.8283","0.001","10.972","0.002","6.1096","0.001","90","","93.523","0.002","90","","256.14","0.09","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","4,5-Dimethyl-1,3-dioxol-2-one","","- C5 H6 O3 -","- C5 H6 O3 -","- C10 H12 O6 -","2","0.5","GG4011","Chandrasekaran, Chandru P.; Donahue, James P.","Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009239","","","0.71073","MoKα","","0.0307","0.0299","","","0.0762","0.0771","","","","","","1.104","","","","has coordinates","278545","2022-10-12","02:11:17",""
"2244198","10.7521","0.0014","5.5245","0.0009","14.48","0.002","90","","90","","90","","860.1","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(1,3-Dithietan-2-ylidene)cyclohexane-1,3-dione","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C32 H32 O8 S8 -","4","1","HB8028","Kellou, Sabah; Brihi, Ouarda; Chetioui, Souheyla; Salah Eddine, Lemallem; Abdelali, Fiala; Boudjada, Ali","Synthesis and crystal structure of 2-(1,3-dithietan-2-ylidene)cyclohexane-1,3-dione","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009872","","x-ray","0.71073","MoKα","","0.0993","0.0513","","","0.0798","0.0936","","","","","","1.004","","","","has coordinates,has Fobs","278581","2022-10-14","01:54:49",""
"2244199","4.9172","0.0002","12.7016","0.0004","11.8573","0.0003","90","","96.294","0.001","90","","736.1","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-(3-hydroxyphenyl)ethanone","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","VM2272","Priyanka, Prabhakar; Jayanna, Bidarur K.; Vinaya; Shankara Prasad, Holehundi J.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structure of 2-chloro-1-(3-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2022","78","11","","","10.1107/S2056989022009835","","","0.71073","MoKα","","0.0267","0.0243","","","0.0651","0.0671","","","","","","1.044","","","","has coordinates,has Fobs","278679","2022-10-21","01:52:00",""
"2244200","27.4318","0.001","12.6723","0.0004","10.6434","0.0003","90","","90","","90","","3699.9","0.2","180","0.14","180","0.14","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate","","- C36 H32 Br2 Fe N12 O4 -","- C36 H32 Br2 Fe N12 O4 -","- C144 H128 Br8 Fe4 N48 O16 -","4","1","DJ2053","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","11","1138","1142","10.1107/S2056989022010179","","x-ray","0.71073","MoKα","","0.0968","0.0571","","","0.1057","0.1252","","","","","","1.026","","","","has coordinates,has Fobs","278876","2022-10-29","12:15:11",""
"2244201","12.0297","0.0007","14.6357","0.0007","32.763","0.002","90","","90","","90","","5768.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-TMP naphthalimide","2-(2,2,6,6-Tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","","- C30 H42 N4 O2 -","- C30 H42 N4 O2 -","- C240 H336 N32 O16 -","8","1","MW2192","Pollock, Alicia A.; Huther, Holly A.; Birch, Cole M.; Reinheimer, Eric W.; Lewis, David E.; Gerlach, Deidra L.","Crystal structure of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010374","","","0.71073","MoKα","","0.0691","0.0488","","","0.1282","0.1415","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","278898","2022-11-01","12:24:23",""
"2244202","5.4741","0.0002","22.5679","0.0006","7.6478","0.0002","90","","92.286","0.003","90","","944.05","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquadinitratobis(4-nitroaniline)copper(II)","","- C12 H16 Cu N6 O12 -","- C12 H16 Cu N6 O12 -","- C24 H32 Cu2 N12 O24 -","2","0.5","YZ2022","Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid","Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II)","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010404","","x-ray","1.54184","CuKα","","0.0579","0.0449","","","0.114","0.1232","","","","","","1.042","","","","has coordinates,has Fobs","278947","2022-11-05","02:51:30",""
"2244203","10.4669","0.0006","26.589","0.0016","12.8313","0.0007","90","","90","","90","","3571","0.4","180","0.14","180.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","Bis{3-(3,5-dichlorophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","","- C34 H26 Cl4 Fe N12 O2 -","- C34 H26 Cl4 Fe N12 O2 -","- C136 H104 Cl16 Fe4 N48 O8 -","4","0.5","EX2061","Znovjyak, Kateryna; Seredyuk, Maksym; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu","Crystal structure of bis{3-(3,5-dichlorophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010507","","","0.71073","MoKα","","0.1395","0.0679","","","0.1097","0.1334","","","","","","1.023","","","","has coordinates,has Fobs","278948","2022-11-05","02:51:53",""
"2244204","4.6914","0.0002","13.0677","0.0007","16.9923","0.0008","68.441","0.005","83.739","0.006","88.032","0.006","963.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)","","- C46 H42 N4 Ni O4 -","- C46 H42 N4 Ni O4 -","- C46 H42 N4 Ni O4 -","1","0.5","WM5661","Banna, Md. Hasan Al; Howlader, Md. Belayet Hossain; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio","Crystal structure of bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II)","Acta Crystallographica Section E","2022","78","10","1081","1083","10.1107/S2056989022009392","","","0.71075","MoKα","","0.0447","0.0367","","","0.0924","0.0963","","","","","","1.063","","","","has coordinates,has Fobs","279106","2022-11-08","19:21:01",""
"2244205","7.9857","0.0004","9.0145","0.0004","22.1621","0.001","90","","90","","90","","1595.39","0.13","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Topiramate azidosulfate","2,3:4,5-Bis-<i>O</i>-(1-methylethylidene)-β-<i>D</i>-fructopyranose azidosulfate","","- C12 H19 N3 O8 S -","- C12 H19 N3 O8 S -","- C48 H76 N12 O32 S4 -","4","1","VM2271","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean","Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K","Acta Crystallographica Section E","2022","78","10","984","988","10.1107/S2056989022008799","","","0.71073","MoKα","","0.0239","0.0234","","","0.0598","0.0601","","","","","","1.071","","","","has coordinates","279107","2022-11-08","19:22:50",""
"2244206","8.0717","0.0008","9.1135","0.0012","22.506","0.003","90","","90","","90","","1655.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O8 S -","- C12 H19 N3 O8 S -","- C48 H76 N12 O32 S4 -","4","1","VM2271","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean","Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K","Acta Crystallographica Section E","2022","78","10","984","988","10.1107/S2056989022008799","","","0.71073","MoKα","","0.0386","0.0357","","","0.096","0.0987","","","","","","1.036","","","","has coordinates","279107","2022-11-08","19:22:51",""
"2244207","18.5763","0.0001","11.6179","0.0001","15.8998","0.0001","90","","97.448","0.001","90","","3402.51","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)\ nickel(II) ethanol disolvate","","- C30 H40 N6 Ni O2 S2 -","- C30 H40 N6 Ni O2 S2 -","- C120 H160 N24 Ni4 O8 S8 -","4","0.5","HB8036","Krebs, Christoph; Jess, Inke; Näther, Christian","Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2022","78","10","993","998","10.1107/S2056989022008891","","x-ray","1.54184","CuKα","","0.0364","0.036","","","0.0973","0.0976","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","279108","2022-11-08","19:23:46",""
"2244208","18.799","0.0001","11.3033","0.0001","15.8639","0.0001","90","","96.825","0.001","90","","3347.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)\ nickel(II) acetonitrile disolvate","","- C30 H34 N8 Ni S2 -","- C30 H34 N8 Ni S2 -","- C120 H136 N32 Ni4 S8 -","4","0.5","HB8036","Krebs, Christoph; Jess, Inke; Näther, Christian","Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2022","78","10","993","998","10.1107/S2056989022008891","","x-ray","1.54184","CuKα","","0.0463","0.0456","","","0.1517","0.1526","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","279108","2022-11-08","19:23:46",""
"2244209","10.2275","0.001","25.0468","0.0001","12.718","0.0001","90","","94.6","0.001","90","","3247.4","0.3","99.97","0.11","99.97","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)\ nickel(II) diethyl ether monosolvate","","- C30 H38 N6 Ni O S2 -","- C30 H38 N6 Ni O S2 -","- C120 H152 N24 Ni4 O4 S8 -","4","1","HB8036","Krebs, Christoph; Jess, Inke; Näther, Christian","Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2022","78","10","993","998","10.1107/S2056989022008891","","x-ray","1.54184","CuKα","","0.029","0.0288","","","0.0761","0.0763","","","","","","1.034","","","","has coordinates,has Fobs","279108","2022-11-08","19:23:46",""
"2244210","6.0404","0.0006","8.6114","0.0007","17.611","0.0017","90","","98.771","0.009","90","","905.35","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl <i>N</i>-acetylcarbamate","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","ZV2015","El Mestehdi, Aly Dawa; Abba, Moctar; El Housseine, Mohamed Lemine; Ould Hadou, Abderrahmane; Barry, Aliou Hamady; Ould Elemine, Brahim; Jelsch, Christian; Gaye, Mohamed","Synthesis, crystal structure and Hirshfeld surface analysis of <i>tert</i>-butyl <i>N</i>-acetylcarbamate","Acta Crystallographica Section E","2022","78","10","1072","1076","10.1107/S2056989022009483","","","0.71073","MoKα","","0.0461","0.0338","","","0.0707","0.0716","","","","","","1","","","","has coordinates","279109","2022-11-08","19:24:17",""
"2244211","16.1906","0.001","7.5752","0.0004","17.7591","0.0009","90","","95.36","0.007","90","","2168.6","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl 4-[(4-methylbenzyl)oxy]benzoate","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","3","WM5660","Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio","Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate","Acta Crystallographica Section E","2022","78","10","1077","1080","10.1107/S2056989022009380","","","0.71075","MoKα","","0.0804","0.0506","","","0.1118","0.1254","","","","","","0.971","","","","has coordinates,has disorder,has Fobs","279110","2022-11-08","19:24:44",""
"2244212","7.694","0.0019","15.013","0.004","15.281","0.004","71.04","0.004","77.874","0.005","87.78","0.004","1631.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(2-fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole-4-carboxamide","<i>N</i>-(2-Fluoroethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1,3-benzodiazole-4-carboxamide","","- C17 H18 F N5 O2 -","- C17 H18 F N5 O2 -","- C68 H72 F4 N20 O8 -","4","2","VM2273","Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W.","Structural characterization and antimycobacterial evaluation of a benzimidazole analogue of the antituberculosis clinical drug candidate TBA-7371","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010556","","","0.71073","Mo-Kα","","0.053","0.0314","","","0.0642","0.0719","","","","","","1.0703","","","","has coordinates,has Fobs","279134","2022-11-09","03:05:04",""
"2244213","18.2654","0.0009","18.2654","0.0009","13.4219","0.0009","90","","90","","90","","4477.9","0.4","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(μ-2-propylvalerato)tetrakis(μ~4~-salicylhydroximato)dysprosiumtetramanganesesodium dimethylformamide tetrasolvate,","","- C72 H112 Dy Mn4 N8 Na O28 -","- C72.0072 H112.011 Dy Mn4.0004 N8.0008 Na O28.0028 -","- C144.014 H224.022 Dy2 Mn8.0008 N16.0016 Na2 O56.0056 -","2","0.25","EX2062","Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010489","","","0.71073","MoKα","","0.1023","0.0722","","","0.2125","0.2571","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","279135","2022-11-09","03:05:41",""
"2244214","8.1589","0.0009","12.2053","0.0013","12.9129","0.0013","101.569","0.004","93.086","0.004","92.481","0.004","1256","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate","","- C28 H21 F N2 O7 S -","- C28 H21 F N2 O7 S -","- C56 H42 F2 N4 O14 S2 -","2","1","PK2671","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K.","Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010684","","","0.71073","MoKα","","0.0687","0.0541","","","0.1365","0.1502","","","","","","1.128","","","","has coordinates,has Fobs","279229","2022-11-11","03:03:09",""
"2244215","10.142","0.001","12.097","0.001","16.2218","0.0015","90","","104.846","0.004","90","","1923.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","12-(Benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole","","- C25 H16 N2 O2 S -","- C25 H16 N2 O2 S -","- C100 H64 N8 O8 S4 -","4","1","PK2671","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K.","Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010684","","","0.71073","MoKα","","0.068","0.0537","","","0.1413","0.1612","","","","","","1.127","","","","has coordinates,has Fobs","279229","2022-11-11","03:03:10",""
"2244216","11.495","0.002","11.665","0.003","22.233","0.005","92.885","0.008","92.383","0.007","103.51","0.007","2890.7","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","Poly[[tricosa(μ-ethylenediamine)dodecalithium] bis[octaselenidotetraferrate(II/III)]]","","- C23 H92 Fe4 Li6 N23 Se8 -","- C23 H92 Fe4 Li6 N23 Se8 -","- C46 H184 Fe8 Li12 N46 Se16 -","2","1","JQ2021","Fuss, Friederike; Thiele, Günther","[Li~6~(C~2~N~2~H~8~)~11.5~][Fe~4~Se~8~]: the first lithium-containing chalcogenidotetraferrate synthesized in solution","Acta Crystallographica Section E","2022","78","12","","","10.1107/S205698902201060X","","","0.71073","MoKα","","0.0419","0.0295","","","0.054","0.059","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","279230","2022-11-11","03:04:01",""
"2244217","15.542","0.0003","14.001","0.0003","16.3217","0.0003","90","","94.791","0.001","90","","3539.25","0.12","105","2","105","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Copper bis(mefenamate) diglyme monohydrate","Tetrakis[μ-2-(2,3-dimethylanilino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[aquacopper(II)]–1-methoxy-2-(2-methoxyethoxy)ethane (1/2)","","- C72 H88 Cu2 N4 O16 -","- C72 H88 Cu2 N4 O16 -","- C144 H176 Cu4 N8 O32 -","2","0.5","EX2060","Chong, Magdalene W. S.; Ottoboni, Sara; Martin, Alan R. G.; Bowering, Deborah; Price, Chris J.; Nordon, Alison; Oswald, Iain D. H.; Ward, Martin R.","Crystal structure of a copper–mefenamate complex solvated with diglyme and water","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010647","","","1.54178","CuKα","","0.0355","0.0333","","","0.087","0.089","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","279231","2022-11-11","03:05:39",""
"2244218","7.84","0.07","16","0.2","18.51","0.12","90","","90","","90","","2322","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","","- C14 H10 S2 -","- C14 H10 S2 -","- C112 H80 S16 -","8","1","YK2177","Brown, Loren C.; Ghiassi, Kamran B.; Fulton, Ashley C.; Thum, Matthew","Crystal structure of dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010532","","","0.71076","MoKα","","0.0508","0.036","","","0.081","0.0875","","","","","","1.042","","","","has coordinates,has Fobs","279232","2022-11-11","03:06:46",""
"2300689","10.9995","0.001","10.9995","0.001","12.698","0.001","90","","90","","120","","1330.5","0.2","298","","298","","","","","","","","","3","P 63","P 6c","173","","","","- Al63.643 Cr10 Cu18.381 -","- Al63.6433 Cr10 Cu18.3807 -","- Al63.6433 Cr10 Cu18.3807 -","1","0.166667","","Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa","Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase","Journal of Applied Crystallography","2022","55","1","74","79","10.1107/S1600576721011961","powder diffraction","","","X-rayCuKα","","","","","","","","","6.6258","","","","","","","","has coordinates,has Fobs","272818","2022-02-06","04:37:38",""
"2300690","200","","3.675","","100","","90","","90","","90","","73500","","295","","295","","","","","","","","","4","P 1","P 1","1","nanocrystalline calcium silicate hydrate","","","- Ca2.86 H7.67 O10.92 Si2.2 -","- Ca2.86 O10.92 Si2.2 -","- Ca22.88 O87.36 Si17.6 -","8","8","","Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried","Structure modeling and quantitative X-ray diffraction of C-(A)-S-H","Journal of Applied Crystallography","2022","55","1","","","10.1107/S1600576721012668","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","272218","2022-01-25","02:53:46",""
"2300692","27.6254","0.0009","12.7853","0.0004","23.5496","0.0008","90","","98.4791","0.0011","90","","8226.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H93 F21 N18 O32 Pr4 -","- C42 H93 F21 N18 O32 Pr4 -","- C168 H372 F84 N72 O128 Pr16 -","4","0.5","XX5001","Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam","Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution","Journal of Applied Crystallography","2022","55","4","890","900","10.1107/S1600576722005878","","","0.71073","MoKα","","0.0564","0.0502","","","0.1315","0.1376","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","277708","2022-09-07","10:02:50",""
"2300693","5.53","0.0004","11.9606","0.0015","5.535","0.0006","90","","104.508","0.003","90","","354.42","0.06","2","0.3","2","0.3","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0583","0.0583","","","0.1427","0.1427","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300694","5.5124","0.0004","11.9341","0.0014","5.5167","0.0006","90","","104.413","0.003","90","","351.5","0.06","6.7","0.1","6.7","0.1","","","","","","","synthesized by authors, see text","3","C 1 2/m 1","-C 2y","12","","","","- C4 Co Sc3 -","- C4 Co Sc3 -","- C16 Co4 Sc12 -","4","0.5","IU5026","Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang","HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale","Journal of Applied Crystallography","2022","55","5","","","10.1107/S160057672200766X","","","0.56089","AgKα","","0.0615","0.0615","","","0.1339","0.1339","","","","3.33","3.33","3.33","","","","has coordinates,has Fobs","278264","2022-09-29","02:07:29",""
"2300705","5.3418","0.0006","9.1166","0.0015","14.697","0.002","90","","93.91","0.02","90","","714.06","0.17","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Mg6 O18 Si4 -","- H8 Mg6 O18 Si4 -","- H16 Mg12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285766","2023-08-15","07:58:29",""
"2300706","5.3444","0.0006","9.1074","0.0014","14.7086","0.0011","90","","94.18","0.02","90","","714.02","0.15","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg4 Ni2 O18 Si4 -","- H8 Mg4.36 Ni1.64 O18 Si4 -","- H16 Mg8.72 Ni3.28 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285767","2023-08-15","08:03:34",""
"2300707","5.3406","0.0006","9.0991","0.0015","14.7019","0.0013","90","","94.44","0.02","90","","712.29","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg3 Ni3 O18 Si4 -","- H8 Mg2.92 Ni3.08 O18 Si4 -","- H16 Mg5.84 Ni6.16 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285768","2023-08-15","08:06:05",""
"2300708","5.3415","0.0006","9.1095","0.0016","14.6976","0.0011","90","","94.31","0.02","90","","713.14","0.16","314","1","314","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 Mg2 Ni4 O18 Si4 -","- H8 Mg2.48 Ni3.52 O18 Si4 -","- H16 Mg4.96 Ni7.04 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285769","2023-08-15","08:07:07",""
"2300709","5.3411","0.0008","9.0924","0.0017","14.6494","0.0019","90","","94.86","0.02","90","","708.87","0.19","314","1","314","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H8 Ni6 O18 Si4 -","- H8 Ni6 O18 Si4 -","- H16 Ni12 O36 Si8 -","2","0.5","","Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor","Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders","Journal of Applied Crystallography","2022","55","3","484","502","10.1107/S1600576722003594","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","285770","2023-08-15","08:14:59",""
"2300726","6.8534","0.0001","6.8534","0.0001","4.7556","0.0001","90","","90","","120","","193.441","0.006","300","","300","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe2 Mn3 Si3 -","- Fe2.0001 Mn2.9999 Si3 -","- Fe4.0002 Mn5.9998 Si6 -","2","0.0833333","","Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen","Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>.","Journal of applied crystallography","2022","55","Pt 5","1164","1172","10.1107/S1600576722007440","","x-ray","0.44279","synchrotron","","0.0315","0.0245","","","0.0259","0.0274","","","","1.31","1.31","1.27","","","","has coordinates,has Fobs","287856","2023-11-29","03:05:17",""
"2312028","49.85","0.007","49.85","0.007","4.9234","0.0008","90","","90","","120","","10596","3","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C432 H396 N36 O54 -","18","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1993","0.1095","","","0.3201","0.3775","","","","","","1.146","","","","has coordinates,has disorder","277409","2022-08-26","01:41:47",""
"2312029","29.189","0.008","5.5877","0.0015","8.686","0.003","90","","90","","90","","1416.7","0.7","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin","Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma","Acta Crystallographica Section D","2022","78","9","","","10.1107/S2059798322007823","","x-ray","0.71073","MoKα","","0.1051","0.0744","","","0.1956","0.2111","","","","","","1.051","","","","has coordinates,has disorder","277409","2022-08-26","01:41:48",""
"2312083","8.8921","0.0013","12.2495","0.0012","23.798","0.003","90","","90","","90","","2592.2","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose pentahydrate","","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0703","0.0703","","","0.0614","0.0614","","","","2.06","2.06","2.06","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:00",""
"2312084","8.987","0.002","12.3973","0.0015","23.528","0.004","90","","90","","90","","2621.4","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose tetrahydrate","","","- C18 H40 O20 -","- C18 H40 O20 -","- C72 H160 O80 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0749","0.0749","","","0.0679","0.0679","","","","2.61","2.61","2.61","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:06",""
"2312085","8.6173","0.0005","14.6662","0.0009","9.4885","0.0006","90","","108.075","0.003","90","","1140.01","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]pyrrolidine","","- C10 H12 N2 O4 S -","- C10 H12 N2 O4 S -","- C40 H48 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0472","0.0412","","","0.1057","0.1106","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","282758","2023-04-20","04:03:03",""
"2312086","8.6881","0.0009","15.0266","0.0014","9.8337","0.001","90","","106.526","0.004","90","","1230.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]piperidine","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C44 H56 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0423","0.0363","","","0.0991","0.1057","","","","","","1.059","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:03",""
"2312087","7.4701","0.0005","23.6743","0.0012","7.8614","0.0005","90","","94.989","0.003","90","","1385.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2-Nitrophenyl)sulfonyl]-2,3-dihydro-1<i>H</i>-indole","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0501","0.04","","","0.0994","0.1045","","","","","","1.045","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:03",""
"2312088","16.399","0.003","7.9485","0.0012","18.376","0.003","90","","113.907","0.006","90","","2189.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Pyrrolidine-1-sulfonyl)aniline","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C80 H112 N16 O16 S8 -","8","2","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0462","0.0354","","","0.0982","0.1073","","","","","","1.039","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312089","11.1747","0.0004","10.485","0.0004","20.1368","0.0008","90","","90","","90","","2359.36","0.15","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Piperidine-1-sulfonyl)aniline","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0348","0.0293","","","0.0818","0.0868","","","","","","1.046","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312090","9.799","0.0011","10.2612","0.0013","13.201","0.0016","90","","100.682","0.005","90","","1304.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,3-Dihydro-1<i>H</i>-indole-1-sulfonyl)aniline","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0483","0.0389","","","0.1039","0.1129","","","","","","1.05","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312091","10.4795","0.0004","11.1326","0.0004","12.1768","0.0007","101.393","0.003","105.793","0.003","115.958","0.002","1143.78","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","Aqua[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-olato-κ<i>O</i>^2^,<i>O</i>^3^](1,10-phenanthroline-κ<i>N</i>,<i>N</i>')copper(II) nitrate methanol monosolvate","","- C25 H20 Cu N4 O8 -","- C25 H20 Cu N4 O8 -","- C50 H40 Cu2 N8 O16 -","2","1","EF3037","Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore","Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","755","759","10.1107/S2053229622011147","","","0.71073","MoKα","","0.0692","0.0424","","","0.1044","0.1162","","","","","","1.037","","","","has coordinates,has Fobs","282759","2023-04-20","04:04:05",""
"2312092","5.687","0.007","6.3969","0.0009","8.447","0.003","90","","107.08","0.08","90","","293.7","0.4","295","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl H2 K O -","- Cl K O -","- Cl4 K4 O4 -","4","1","EF3038","Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki","Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","749","754","10.1107/S2053229622011135","","x-ray","0.71073","MoKα","","0.061","0.061","","","","0.1984","","","","","","1.797","","","","has coordinates,has Fobs","282760","2023-04-20","04:04:39",""
"2312153","18.2538","0.0005","7.3008","0.0002","20.0497","0.0005","90","","106.867","0.002","90","","2557.02","0.12","208","2","208","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,2,5-Tellurodiazole-3,4-dicarbonitrile tetraphenylphosphonium chloride","","- C28 H20 Cl N4 P Te -","- C28 H20 Cl N4 P Te -","- C112 H80 Cl4 N16 P4 Te4 -","4","1","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0389","0.0262","","","0.056","0.0609","","","","","","1.036","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"2312154","6.95","0.0011","9.5921","0.0015","13.604","0.002","102.427","0.002","101.89","0.002","91.876","0.002","863.8","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","1,2,5-Tellurodiazole-3,4-dicarbonitrile tetraethylphosphonium chloride","","- C12 H20 Cl N4 P Te -","- C12 H20 Cl N4 P Te -","- C24 H40 Cl2 N8 P2 Te2 -","2","1","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0369","0.036","","","0.098","0.0984","","","","","","1.169","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"2312155","6.2634","0.0016","7.4089","0.0019","18.32","0.005","90","","96.42","0.005","90","","844.8","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2,5-Selenodiazole-3,4-dicarbonitrile–hydroquinone (1/1)","","- C14 H6 N8 O2 Se2 -","- C14 H6 N8 O2 Se2 -","- C28 H12 N16 O4 Se4 -","2","0.5","BS3001","Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.","<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 10","517","523","10.1107/S2053229622008518","","","0.71073","MoKα","","0.0589","0.0331","","","0.0664","0.0729","","","","","","1.004","","","","has coordinates,has Fobs","285196","2023-07-13","02:07:59",""
"3000196","7.5409","0.0003","21.4401","0.0008","11.7364","0.0005","90","","91.352","0.002","90","","1896.99","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N10 O9 S Zn -","- C10 H20 N10 O9 S Zn -","- C40 H80 N40 O36 S4 Zn4 -","4","1","","José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno","Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease.","Medicinal chemistry (Shariqah (United Arab Emirates))","2022","18","4","444","451","10.2174/1573406417666210812162500","","","0.71073","MoKα","","0.0357","0.0294","","","0.1014","0.1078","","","","","","0.892","","","","has coordinates,has Fobs","279524","2022-11-24","07:15:15",""
"3000300","9.42623","","12.3374","","3.09543","","90","","90","","90","","359.984","","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","ludwigite","","","- B4 Co10.3 Hf1.7 O20 -","- B4 Co10.2962 Hf1.70384 O20 -","- B4 Co10.2962 Hf1.70384 O20 -","1","0.125","","Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R.","'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)'","Journal of Alloys and Compounds","2022","890","","161717","","","powder diffraction","","","CoKα","","","","","","","","","3.1185","","","","","","","","has coordinates","279404","2022-11-18","19:15:42",""
"3000301","9.41497","0.00013","12.33136","0.00013","3.09365","0.00004","90","","90","","90","","359.171","0.008","293","","293","","","","","","","","","4","P b a m","-P 2 2ab","55","ludwigite","","","- B4 Co10.33 O20 Zr1.67 -","- B4 Co10.3291 O20 Zr1.67088 -","- B4 Co10.3291 O20 Zr1.67088 -","1","0.125","","Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R.","'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)'","Journal of Alloys and Compounds","2022","890","","161717","","","powder diffraction","","","CoKα","","","","","","","","","3.465","","","","","","","","has coordinates","279405","2022-11-18","19:18:09",""
"3000327","8.39912","","8.39912","","8.39912","","90","","90","","90","","592.518","","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","iron oxide","","- Fe3 O4 -","- Fe2.99904 O4 -","- Fe23.9923 O32 -","8","0.0416667","","Paul, Tanmoy","A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses","Scientific Reports","2022","","","4851","","","","","","cuKα","","","","","","","","","11.0044","","","","","","","","has coordinates","277017","2022-07-30","18:38:14",""
"3000328","2.8202","","9.4378","","9.382","","90","","90","","90","","249.716","","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","","iron oxide","","- Fe3 O4 -","- Fe6 O8 -","- Fe12 O16 -","2","0.25","","Paul, Tanmoy","A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses","Scientific Reports","2022","","","4851","","","","","","cuKα","","","","","","","","","11.0044","","","","","","","","has coordinates","277016","2022-07-30","18:30:00",""
"3000344","5.752316","","4.525392","","5.382368","","90","","122.611","","90","","118.022","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 V -","- O2 V -","- O8 V4 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282558","2023-04-11","15:44:32",""
"3000345","5.756886","","4.528684","","5.383653","","90","","122.586","","90","","118.263","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.989 W0.011 -","- O2 V0.9894 W0.0106 -","- O8 V3.9576 W0.0424 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282559","2023-04-11","15:45:54",""
"3000346","5.765868","","4.531848","","5.384223","","90","","122.645","","90","","118.465","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.973 W0.027 -","- O2 V0.973 W0.027 -","- O8 V3.892 W0.108 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282560","2023-04-11","15:47:13",""
"3000347","4.554985","","4.554985","","2.854296","","90","","90","","90","","59.221","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.488 W0.012 -","- O V0.4875 W0.0125 -","- O4 V1.95 W0.05 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282561","2023-04-11","15:48:10",""
"3000348","5.740803","","4.593496","","5.356922","","90","","122.28","","90","","119.431","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.957 W0.043 -","- O2 V0.96 W0.04 -","- O8 V3.84 W0.16 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282562","2023-04-11","15:49:12",""
"3000349","4.55898","","4.55898","","2.856885","","90","","90","","90","","59.378","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.481 W0.019 -","- O V0.48125 W0.01875 -","- O4 V1.925 W0.075 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282563","2023-04-11","15:50:05",""
"3000350","4.56274","","4.56274","","2.863021","","90","","90","","90","","59.604","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.468 W0.032 -","- O V0.4684 W0.0316 -","- O4 V1.8736 W0.1264 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282564","2023-04-11","15:51:08",""
"3000351","4.566021","","4.566021","","2.868822","","90","","90","","90","","59.811","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.455 W0.045 -","- O V0.45535 W0.04465 -","- O4 V1.8214 W0.1786 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282565","2023-04-11","15:51:59",""
"3000352","4.569537","","4.569537","","2.87232","","90","","90","","90","","59.976","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.448 W0.052 -","- O V0.44815 W0.05185 -","- O4 V1.7926 W0.2074 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282566","2023-04-11","15:53:03",""
"3000353","4.572685","","4.572685","","2.878604","","90","","90","","90","","60.19","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.425 W0.075 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282567","2023-04-11","15:53:54",""
"3000354","4.56124","0.00008","4.56124","0.00008","2.88795","0.00006","90","","90","","90","","60.0835","0.0019","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.462 W0.038 -","- O V0.46175 W0.03825 -","- O4 V1.847 W0.153 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282568","2023-04-11","15:55:05",""
"3000355","4.56631","0.00009","4.56631","0.00009","2.88937","0.00006","90","","90","","90","","60.247","0.002","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.453 W0.047 -","- O V0.4526 W0.0474 -","- O4 V1.8104 W0.1896 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282569","2023-04-11","15:56:27",""
"3000356","4.57222","0.00006","4.57222","0.00006","2.8669","0.00004","90","","90","","90","","59.9331","0.0014","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.433 W0.067 -","- O V0.43255 W0.06745 -","- O4 V1.7302 W0.2698 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282570","2023-04-11","15:58:07",""
"3000362","5.70293","","4.55591","","5.39085","","90","","122.337","","90","","118.343","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O2 V0.9916 W0.0084 -","- O8 V3.9664 W0.0336 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282571","2023-04-11","15:59:00",""
"3000363","4.54028","","4.54028","","2.86067","","90","","90","","90","","58.97","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O V0.4958 W0.0042 -","- O4 V1.9832 W0.0168 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282572","2023-04-11","15:59:55",""
"3000364","5.77225","","4.54015","","5.40157","","90","","122.914","","90","","118.836","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O2 V0.9753 W0.0247 -","- O8 V3.9012 W0.0988 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282573","2023-04-11","16:01:37",""
"3000365","4.5539","","4.5539","","2.85868","","90","","90","","90","","59.283","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O V0.48765 W0.01235 -","- O4 V1.9506 W0.0494 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282574","2023-04-11","16:02:29",""
"3000366","4.55959","","4.55959","","2.85856","","90","","90","","90","","59.429","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.964 W0.036 -","- O V0.4818 W0.0182 -","- O4 V1.9272 W0.0728 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282575","2023-04-11","16:03:32",""
"3000367","4.56377","","4.56377","","2.86364","","90","","90","","90","","59.644","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.937 W0.063 -","- O V0.46845 W0.03155 -","- O4 V1.8738 W0.1262 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282576","2023-04-11","16:04:23",""
"3000368","4.56774","","4.56774","","2.86988","","90","","90","","90","","59.878","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.911 W0.089 -","- O V0.4553 W0.0447 -","- O4 V1.8212 W0.1788 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282577","2023-04-11","16:06:41",""
"3000369","4.5719","","4.5719","","2.87401","","90","","90","","90","","60.073","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.896 W0.104 -","- O V0.44785 W0.05215 -","- O4 V1.7914 W0.2086 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282578","2023-04-11","16:07:34",""
"3000370","4.57297","","4.57297","","2.87908","","90","","90","","90","","60.207","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.85 W0.15 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282579","2023-04-11","16:08:30",""
"3000375","5.755932","","4.528083","","5.385573","","90","","122.606","","90","","118.244","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.005 V0.995 -","- O2 Sc0.005 V0.995 -","- O8 Sc0.02 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282580","2023-04-11","16:09:28",""
"3000376","5.755554","","4.527687","","5.384285","","90","","122.593","","90","","118.214","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.007 V0.993 -","- O2 Sc0.0075 V0.9925 -","- O8 Sc0.03 V3.97 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282581","2023-04-11","16:10:17",""
"3000377","5.756384","","4.528615","","5.386136","","90","","122.617","","90","","118.265","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.003 V0.997 -","- O2 Sc0.003 V0.997 -","- O8 Sc0.012 V3.988 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282582","2023-04-11","16:11:05",""
"3000378","5.754162","","4.527055","","5.384134","","90","","122.603","","90","","118.153","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.018 V0.982 -","- O2 Sc0.0175 V0.9825 -","- O8 Sc0.07 V3.93 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282583","2023-04-11","16:12:08",""
"3000379","5.755693","","4.527684","","5.383801","","90","","122.585","","90","","118.217","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.021 V0.979 -","- O2 Sc0.021 V0.979 -","- O8 Sc0.084 V3.916 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282584","2023-04-11","16:13:08",""
"3000380","5.756596","","4.528448","","5.386749","","90","","122.613","","90","","118.284","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.015 V0.985 -","- O2 Sc0.015 V0.985 -","- O8 Sc0.06 V3.94 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282585","2023-04-11","16:13:55",""
"3000381","5.755818","","4.52814","","5.384144","","90","","122.582","","90","","118.243","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.047 V0.953 -","- O2 Sc0.05 V0.95 -","- O8 Sc0.2 V3.8 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282586","2023-04-11","16:15:07",""
"3000382","5.753169","","4.526911","","5.381891","","90","","122.588","","90","","118.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cr0.005 O2 V0.995 -","- Cr0.005 O2 V0.995 -","- Cr0.02 O8 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282587","2023-04-11","16:23:54",""
"3000383","9.065126","","5.767309","","4.522985","","90","","91.1962","","90","","236.416","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.02 O4 V1.98 -","- Cr0.02 O4 V1.98 -","- Cr0.08 O16 V7.92 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282588","2023-04-11","16:24:48",""
"3000384","9.064784","","5.791293","","4.526692","","90","","91.9246","","90","","237.503","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.06 O4 V1.94 -","- Cr0.06 O4 V1.94 -","- Cr0.24 O16 V7.76 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282589","2023-04-11","16:25:38",""
"3000395","19.3247","0.0003","8.8795","0.0001","12.7062","0.0002","90","","108.332","0.001","90","","2069.65","0.05","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{2-amino-2-[mu- butyl(amidate)]-4clhoride}diplatinum(III)","","- C10 H26 Cl4 N4 O2 Pt2 -","- C10 H26 Cl4 N4 O2 Pt2 -","- C40 H104 Cl16 N16 O8 Pt8 -","4","0.5","","Vinci, Doriana; Chateigner, Daniel","","Personal communication to COD","2022","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","276504","2022-07-03","16:08:44",""
"3000396","17.4485","0.0004","13.007","0.0002","11.9676","0.0002","90","","108.578","0.001","90","","2574.55","0.08","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H15 Cl3 N2 O2 Pt -","- C5 H15 Cl3 N2 O2 Pt -","- C40 H120 Cl24 N16 O16 Pt8 -","8","2","","Vinci, Doriana; Chateigner, Daniel","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0525","0.0273","","","","","","","","","","1.1248","","","","has coordinates,has disorder,has Fobs","276505","2022-07-03","16:11:06",""
"3000397","37.154","0.002","5.9294","0.0003","21.808","0.0012","90","","105.654","0.002","90","","4626.1","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Cl3 N2 Pt -","- C5 H12 Cl3 N2 Pt -","- C80 H192 Cl48 N32 Pt16 -","16","2","","Vinci, Doriana; Chateigner, Daniel","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0907","0.0422","","0.0784","0.0445","0.0416","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276506","2022-07-03","16:12:13",""
"3000398","4.1881","0.0001","9.4591","0.0002","10.1852","0.0002","102.793","0.001","91.304","0.001","100.914","0.001","385.478","0.015","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O2 Pt -","- C14 H14 Cl2 N2 O2 Pt -","- C14 H14 Cl2 N2 O2 Pt -","1","0.5","","Vinci, Doriana; Chateigner, Daniel","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0437","0.0276","","0.0341","0.0226","0.0213","","","","","","1.0937","","","","has coordinates,has Fobs","276507","2022-07-03","16:13:10",""
"3000405","3.98329","","3.98329","","10.83074","","90","","90","","90","","171.847","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","TbMn2Ge2","","","- Ge4 Mn4 Tb2 -","- Ge16 Mn16 Tb4 -","- Ge16 Mn16 Tb4 -","1","0.03125","","Shuai Huang","","Personal communication to COD","2022","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278662","2022-10-20","14:19:13",""
"3000407","22.4116","0.0016","18.4777","0.0013","17.2409","0.0012","90","0.006","106.899","0.008","90","0.006","6831.4","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 N2 O3 S2 -","- C39 H40 N2 O3 S2 -","- C312 H320 N16 O24 S16 -","8","2","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.1105","0.0859","","","0.2121","0.2334","","","","","","0.993","","","","has coordinates","278856","2022-10-28","08:07:49",""
"3000408","11.4921","0.0008","16.4689","0.0012","24.1238","0.0017","94.468","0.004","93.849","0.004","109.226","0.004","4277.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H44 N2 O3 S4 -","- C47 H44 N2 O3 S4 -","- C188 H176 N8 O12 S16 -","4","2","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.0758","0.0733","","","0.2283","0.2313","","","","","","1.035","","","","has coordinates,has disorder","278855","2022-10-28","08:05:20",""
"3000409","16.1211","0.0011","24.605","0.0017","27.4779","0.0019","90","0.004","106.823","0.004","90","0.004","10432.9","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H48 N2 O3 S6 -","- C55 H48 N2 O3 S6 -","- C440 H384 N16 O24 S48 -","8","1","","Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini","Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches","Chemistry – A European Journal","2022","","","","","10.1002/chem.202202698","","","1.54187","CuKα","","0.0385","0.0349","","","0.1025","0.104","","","","","","1.086","","","","has coordinates,has disorder","278857","2022-10-28","08:12:04",""
"3000415","6.4","0.0001","9.9684","0.0002","25.9394","0.0006","90","","90","","90","","1654.88","0.06","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Phansuang Udomputtimekakul","","Personal communication to COD","2022","","","","","","","x-ray","0.71073","MoKα","K-L~3~","0.0571","0.0393","","","0.0822","0.0896","","","","","","1.04","","","","has coordinates","279663","2022-12-01","01:43:27",""
"3000419","3.039","","3.039","","12.395","","90","","90","","120","","99.138","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","AgCuO2","","","- Ag Cu O2 -","- Ag Cu O2 -","- Ag2 Cu2 O4 -","2","0.0833333","","Amira. T. Mohamed; M.M.Arman.; Ebtesam.E.Ateia.","A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity","Personal communication to COD","2022","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278814","2022-10-26","11:36:32",""
"3000420","3.039101","","3.039101","","18.59","","90","","90","","120","","148.696","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","AgCuO2","","","- Ag Cu O2 -","- Ag1.5 Cu1.5 O3 -","- Ag3 Cu3 O6 -","2","0.0555556","","Amira. T. Mohamed; M.M.Arman; Ebtesam.E.Ateia.","A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity","Personal communication to COD","2022","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278815","2022-10-26","11:38:06",""
"3500120","5.7306","0.0001","30.3712","0.0007","9.9232","0.0002","90","","95.852","0.001","90","","1718.08","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dodecane-1,12-diaminium sulfate monohydrate","","- C12 H32 N2 O5 S -","- C12 H32 N2 O5 S -","- C48 H128 N8 O20 S4 -","4","1","","Thierry Maris","dodecane-1,12-diaminium sulfate monohydrate","Personal communication to COD","2022","","","","","","","x-ray","1.34139","GaKα","","0.0356","0.0352","","","0.0884","0.0885","","","","","","1.127","","","","has coordinates,has Fobs","273664","2022-03-11","21:18:25",""
"3500121","8.3768","0.0005","12.0691","0.0008","6.8173","0.0004","90","","91.318","0.003","90","","689.05","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-chloro-5-methyl-1,2,4-triazolo-[1,5-a]pyrimidine","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","José Manuel Méndez-Arriaga; Miguel Quirós","","Personal communication to COD","2022","","","","","","","","1.54184","CuKα","","0.0373","0.0363","","","0.09","0.0909","","","","","","1.102","","","","has coordinates,has Fobs","274325","2022-04-04","09:47:25",""
"3500122","8.5479","0.0019","9.685","0.002","11.565","0.003","82.991","0.004","79.282","0.004","74.526","0.004","904","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cd I2 N10 -","- C10 H10 Cd I2 N10 -","- C20 H20 Cd2 I4 N20 -","2","1","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0715","0.0439","","","0.0916","0.1053","","","","","","0.982","","","","has coordinates,has Fobs","274663","2022-04-25","09:10:04",""
"3500123","20.6591","0.0014","11.7739","0.0008","29.897","0.002","90","","107.089","0.001","90","","6951","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 La2 N24 O19 -","- C30 H44 La2 N24 O19 -","- C180 H264 La12 N144 O114 -","6","1.5","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0849","0.0606","","","0.1418","0.1582","","","","","","1.084","","","","has coordinates,has Fobs","274664","2022-04-25","09:15:20",""
"3500124","26.241","0.006","12.644","0.003","10.303","0.002","90","","90","","90","","3418.4","1.3","99","2","99","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl2 Cu N4 O14 -","- C6 H16 Cl2 Cu N4 O14 -","- C48 H128 Cl16 Cu8 N32 O112 -","8","2","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.0347","0.0322","","","0.0751","0.0777","","","","","","1.054","","","","has coordinates,has Fobs","274736","2022-04-28","05:52:01",""
"3500125","13.338","0.009","13.199","0.009","23.572","0.015","90","","90","","90","","4150","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl2 Cu N8 O12 -","- C12 H16 Cl2 Cu N8 O12 -","- C96 H128 Cl16 Cu8 N64 O96 -","8","1","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.103","0.0587","","","0.1358","0.1593","","","","","","1.022","","","","has coordinates,has Fobs","274737","2022-04-28","06:05:40",""
"3500126","7.665","0.007","14.324","0.013","6.949","0.006","90","","92.975","0.012","90","","761.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methyl-7-hydroxy-1,2,4-triazolo-[1,5-a]-pyrimidine mononydrate","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C24 H32 N16 O8 -","4","1","","José Manuel Méndez-Arriaga; Miguel Quirós","5-methyl-7-hydroxy-1,2,4-triazolo-[1,5-a]-pyrimidine mononydrate","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.2139","0.1258","","","0.2949","0.3351","","","","","","0.836","","","","has coordinates,has Fobs","275508","2022-05-18","07:40:51",""
"3500127","8.3877","","8.3877","","8.3877","","90","","90","","90","","590.104","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4","(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4","Cobalt Zinc Ferrite","- Co0.8 Fe2 O4 Zn0.2 -","- Co0.8 Fe2 O4 Zn0.2 -","- Co6.4 Fe16 O32 Zn1.6 -","8","0.0416667","","Taju Ahmed","Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic properties (Co0.8 Zn0.2 Fe2-x Lax O4)","Personal communication to COD","2022","","","","","","","","","","","0.00706478","","","0.00914918","","","","","0.149284","","","","","","","has coordinates","277769","2022-09-12","09:03:37",""
"3500128","9.5544","0.0002","9.5544","0.0002","16.9655","0.0005","90","","90","","120","","1341.23","0.06","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","Aluminium Formate Trihydrate","","","- C3 H9 Al O9 -","- C3 H9 Al O9 -","- C18 H54 Al6 O54 -","6","0.333333","","Mohanty, Chetna; Maris, Thierry; Wuest, James D.","Aluminium Formate Trihydrate","Personal communication to COD","2022","","","","","","","x-ray","1.34139","GaKα","","0.0287","0.0286","","","0.0658","0.066","","","","","","1.174","","","","has coordinates,has Fobs","278329","2022-10-04","16:05:53",""
"3500129","9.8662","0.0007","3.9711","0.0003","17.3372","0.0012","90","","105.352","0.002","90","","655.03","0.08","200","2","200.15","","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4'-tetrabromodiphenylamine","Benzenamine, 2,4-dibromo-N-(2,4-dibromophenyl)-","","- C12 H7 Br4 N -","- C12 H7 Br4 N -","- C24 H14 Br8 N2 -","2","1","","Lautmann, Michael; Maris, Thierry; Wuest, James D.","2,2',4,4'-tetrabromodiphenylamine","Personal communication to COD","2022","","","","","","","","1.54178","CuKα","","0.0354","0.0353","","","0.0996","0.0997","","","","","","1.09","","","","has coordinates,has Fobs","278330","2022-10-04","18:16:06",""
"3500130","26.1308","0.0002","26.1308","0.0002","5.4539","0.0001","90","","90","","90","","3724.02","0.08","150","","150.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane","","","- C41 H52 O12 -","- C41 H52 O12 -","- C164 H208 O48 -","4","0.25","","Maris, Thierry; Laliberté, Dominic; Wuest, James D.","tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane","Personal communication to COD","2022","","","","","","","","1.54178","CuKα","","0.0388","0.0312","","","0.0755","0.0807","","","","","","1.035","","","","has coordinates,has Fobs","278488","2022-10-07","17:24:24",""
"3500131","7.3431","0.0014","14.0371","0.0013","11.816","0.004","90","","103.573","0.016","90","","1183.9","0.5","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-nitrophenyl) sulfide","1-nitro-4-(4-nitrophenyl)sulfanylbenzene","","- C12 H8 N2 O4 S -","- C12 H8 N2 O4 S -","- C48 H32 N8 O16 S4 -","4","0.5","","Maris, Thierry; Laliberté, Dominic; Raymond, Nathalie; Wuest, James D.","Bis(4-nitrophenyl) sulfide","Personal communication to COD","2022","","","","","","","","1.54178","CuKα","","0.0463","0.0432","","","0.1214","0.1249","","","","","","1.096","","","","has coordinates,has Fobs","278508","2022-10-10","13:50:39",""
"3500132","10.7451","0.0005","14.031","0.0006","10.4824","0.0005","90","","90","","90","","1580.37","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","Diphenhydramine hydrochloride","N-(2-Diphenylmethoxyethyl)-N,N-dimethylamine hydrochloride","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C68 H88 Cl4 N4 O4 -","4","1","","Thierry Maris","Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors","Personal communication to COD","2022","","","","","","","x-ray","1.34139","GaKα","","0.0245","0.0236","","","0.059","0.0593","","","","","","1.082","","","","has coordinates,has Fobs","280062","2022-12-30","15:47:58",""
"4004059","18.4709","0.0005","9.53635","0.00016","18.6873","0.0005","90","","114.223","0.003","90","","3001.86","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H64 Cl10 N4 Sb2 -","- C40 H64 Cl10 N4 Sb2 -","- C80 H128 Cl20 N8 Sb4 -","2","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0226","0.0211","","","0.0491","0.0496","","","","","","0.998","","","","has coordinates","272492","2022-02-03","22:53:36",""
"4004060","11.7848","0.0002","11.8754","0.0002","23.334","0.0005","90","","90","","90","","3265.57","0.1","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C64 H160 Cl40 N16 Sb8 -","8","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0487","0.0458","","","0.0926","0.0938","","","","","","1.309","","","","has coordinates","272494","2022-02-03","22:54:03",""
"4004061","9.392","0.0004","8.6729","0.0003","23.2152","0.0009","90","","94.5715","0.0013","90","","1885","0.13","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 I4 N2 O2 Pb -","- C8 H20 I4 N2 O2 Pb -","- C32 H80 I16 N8 O8 Pb4 -","4","0.5","","Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning","Chemistry of Materials","2022","34","2","756","767","10.1021/acs.chemmater.1c03564","","","0.71073","MoKα","","0.0248","0.0248","","0.0583","0.0583","0.0583","","","","","","1.0399","","","","has coordinates","272496","2022-02-03","22:54:26",""
"4004062","8.1767","0.0003","8.7039","0.0004","16.5225","0.0007","90","","90","","90","","1175.89","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 I3 N O Pb -","- C4 H10 I3 N O Pb -","- C16 H40 I12 N4 O4 Pb4 -","4","1","","Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning","Chemistry of Materials","2022","34","2","756","767","10.1021/acs.chemmater.1c03564","","","0.71073","MoKα","","0.0235","0.0235","","0.0513","0.0513","0.0513","","","","","","1.0209","","","","has coordinates","272498","2022-02-03","22:54:53",""
"4004063","10.906","0.003","5.7031","0.0019","15.132","0.004","90","","90","","90","","941.2","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C1.14 H1.43 N0.86 -","- C1.14286 H1.42857 N0.857143 -","- C32 H40 N24 -","28","3.5","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0747","0.0505","","","0.1085","0.1193","","","","","","1.107","","","","has coordinates","273277","2022-03-03","22:42:22",""
"4004064","4.536","0.0004","17.4264","0.0016","4.7517","0.0004","90","","95.35","0.004","90","","373.97","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 N1.5 O1.5 P0.5 -","- C2 H4 N1.5 O1.5 P0.5 -","- C8 H16 N6 O6 P2 -","4","2","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0349","0.0313","","","0.0711","0.073","","","","","","1.086","","","","has coordinates","273278","2022-03-03","22:42:48",""
"4004065","20.5433","0.0007","9.6018","0.0003","15.8277","0.0004","90","","102.817","0.003","90","","3044.27","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Cd I4 N4 O2 -","- C24 H22 Cd I4 N4 O2 -","- C96 H88 Cd4 I16 N16 O8 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.0313","0.0298","","","0.0817","0.0827","","","","","","1.127","","","","has coordinates","273279","2022-03-03","22:43:11",""
"4004066","12.4902","0.0012","7.3161","0.0004","13.3109","0.001","90","","106","0.009","90","","1169.22","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.0784","0.044","","","0.0886","0.0986","","","","","","1.049","","","","has coordinates","273280","2022-03-03","22:43:38",""
"4004067","12.5159","0.0002","7.5277","0.0001","13.7218","0.0002","90","","106.358","0.002","90","","1240.48","0.03","297.89","0.1","297.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 I N2 O -","- C12 H11 I N2 O -","- C48 H44 I4 N8 O4 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.0693","0.0699","","","","","","1.07","","","","has coordinates","273281","2022-03-03","22:43:59",""
"4004068","9.2789","0.0004","9.3226","0.0004","16.7163","0.0006","97.28","0.003","90.319","0.003","94.783","0.004","1429.18","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br4 Cd N4 O2 -","- C24 H22 Br4 Cd N4 O2 -","- C48 H44 Br8 Cd2 N8 O4 -","2","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.1532","0.0699","","","0.1527","0.1829","","","","","","0.912","","","","has coordinates","273282","2022-03-03","22:44:20",""
"4004069","16.3428","0.0009","9.061","0.0005","18.5386","0.001","90","","101.743","0.002","90","","2687.8","0.3","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Br4 N3 Pb -","- C6 H9 Br4 N3 Pb -","- C48 H72 Br32 N24 Pb8 -","8","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.0547","0.0523","","","0.1407","0.1436","","","","","","1.156","","","","has coordinates","273283","2022-03-03","22:44:46",""
"4004070","8.7977","0.0016","8.8461","0.0016","9.5142","0.0017","105.05","0.005","96.33","0.005","115.707","0.005","622.8","0.2","190","2","189.99","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cl4 N3 Pb -","- C6 H9 Cl4 N3 Pb -","- C12 H18 Cl8 N6 Pb2 -","2","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.0758","0.0751","","","0.2028","0.2048","","","","","","1.128","","","","has coordinates","273284","2022-03-03","22:45:09",""
"4004071","17.0883","0.0011","9.4534","0.0006","19.6226","0.0012","90","","101.866","0.002","90","","3102.1","0.3","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 I4 N3 Pb -","- C6 H9 I4 N3 Pb -","- C48 H72 I32 N24 Pb8 -","8","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.1426","0.1397","","","0.3635","0.368","","","","","","1.687","","","","has coordinates","273285","2022-03-03","22:45:33",""
"4004072","5.5884","0.0003","5.5884","0.0003","3.9063","0.0003","90","","90","","120","","105.65","0.011","301","2","301","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ga2 Ir3 La -","- Ga2 Ir3 La -","- Ga2 Ir3 La -","1","0.0416667","","Gui, Xin; Cava, Robert J.","LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir","Chemistry of Materials","2022","34","6","2824","2832","10.1021/acs.chemmater.2c00280","","","0.71073","MoKα","","0.0124","0.0124","","","0.0339","0.0339","","","","","","1.182","","","","has coordinates","274279","2022-04-03","21:49:56",""
"4004073","16.1515","0.0003","6.0242","0.0001","20.0589","0.0004","90","","109.261","0.001","90","","1842.48","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N5 -","- C19 H29 N5 -","- C76 H116 N20 -","4","1","","Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao","Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives","Chemistry of Materials","2022","34","6","2636","2644","10.1021/acs.chemmater.1c03881","","","1.54178","CuKα","","0.041","0.0358","","","0.0977","0.102","","","","","","1.049","","","","has coordinates","274280","2022-04-03","21:50:19",""
"4004074","38.6306","0.0011","7.3226","0.0003","7.2843","0.0002","90","","90.585","0.003","90","","2060.45","0.12","173","0.1","173","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H48 Ag Cl8 Fe N4 -","- C32 H48 Ag Cl8 Fe N4 -","- C64 H96 Ag2 Cl16 Fe2 N8 -","2","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0718","0.0642","","","0.1678","0.1769","","","","","","1.053","","","","has coordinates,has disorder","274281","2022-04-03","21:50:45",""
"4004075","7.7313","0.0001","35.4619","0.0005","7.7347","0.0001","90","","90.807","0.001","90","","2120.39","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag Cl8 Fe N4 -","- C36 H56 Ag Cl8 Fe N4 -","- C72 H112 Ag2 Cl16 Fe2 N8 -","2","1","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0843","0.0788","","","0.2069","0.2116","","","","","","1.029","","","","has coordinates","274282","2022-04-03","21:51:16",""
"4004076","7.25334","0.0001","39.2496","0.0006","7.18736","0.0001","90","","90.6398","0.0013","90","","2046.05","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl8 Fe N4 Na -","- C32 H48 Cl8 Fe N4 Na -","- C64 H96 Cl16 Fe2 N8 Na2 -","2","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0488","0.0446","","","0.1184","0.1231","","","","","","1.013","","","","has coordinates,has disorder","274283","2022-04-03","21:51:38",""
"4004077","7.7161","0.0005","7.8117","0.0007","9.3428","0.0007","102.735","0.007","91.155","0.006","90.898","0.006","549.06","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 In N4 -","- C8 H28 Ag Cl8 In N4 -","- C8 H28 Ag Cl8 In N4 -","1","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0335","0.0311","","","0.0972","0.0997","","","","","","1.018","","","","has coordinates","274284","2022-04-03","21:52:01",""
"4004078","7.5923","0.0005","10.8224","0.0007","13.3237","0.0007","76.162","0.005","89.632","0.005","89.618","0.005","1062.96","0.12","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Fe N4 -","- C8 H28 Ag Cl8 Fe N4 -","- C16 H56 Ag2 Cl16 Fe2 N8 -","2","1","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0513","0.0421","","","0.1104","0.1181","","","","","","1.055","","","","has coordinates","274285","2022-04-03","21:52:22",""
"4004079","7.94578","0.00012","5.1687","0.00007","15.1654","0.0002","89.848","0.0016","93.6133","0.0009","89.9481","0.0016","621.593","0.015","","","","","","","","","","","","5","P -1","-P 1","2","JBW_dehydrated","","","- Al3 K Na2 O12 Si3 -","- Al3 K Na2 O12 Si3 -","- Al6 K2 Na4 O24 Si6 -","2","1","","Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.","HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility","Chemistry of Materials","2022","34","","7159","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278563","2022-10-13","20:00:14",""
"4004080","15.1422","0.0001","8.125613","0.000064","5.176215","0.000036","90","","90","","90","","636.88","0.008","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","JBW_hydrated","","","- Al3 K Na2 O12 Si3 -","- Al3 K Na2 O12.7762 Si3 -","- Al6 K2 Na4 O25.5524 Si6 -","2","0.5","","Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.","HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility","Chemistry of Materials","2022","34","","7159","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278564","2022-10-13","20:00:30",""
"4004081","4.11724","0.00008","4.11724","0.00008","24.0408","0.0005","90","","90","","120","","352.933","0.012","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cs Gd S2 -","- Cs Gd S2.00012 -","- Cs3 Gd3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","15.4216","","","","","","","","has coordinates","281151","2023-02-27","10:50:57",""
"4004082","4.11494","0.00016","4.11494","0.00016","16.0144","0.0007","90","","90","","120","","234.838","0.016","293","2","293","3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cs Gd S2 -","- Cs Gd S2.00012 -","- Cs2 Gd2 S4.00024 -","2","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","24.0632","","","","","","","","has coordinates","281152","2023-02-27","10:53:48",""
"4004083","3.8535","0.0002","3.8535","0.0002","6.6663","0.0006","90","","90","","120","","85.729","0.01","293","2","293","3","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 S -","- Gd2 O2 S -","- Gd2 O2 S -","1","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","33.4298","","","","","","","","has coordinates","281153","2023-02-27","10:55:16",""
"4004084","10.8113","0.0002","10.8113","0.0002","10.8113","0.0002","90","","90","","90","","1263.67","0.04","293","2","293","3","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Gd2 O3 -","- Gd2.00006 O3.00012 -","- Gd32.001 O48.0019 -","16","0.333333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","25.5494","","","","","","","","has coordinates","281154","2023-02-27","10:57:11",""
"4004085","7.3424","0.0003","3.93196","0.00014","15.2841","0.0006","90","","90","","90","","441.25","0.03","293","2","293","3","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 S3 -","- Gd2 S3 -","- Gd8 S12 -","4","0.5","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","26.8009","","","","","","","","has coordinates","281155","2023-02-27","11:00:18",""
"4004086","8.7147","0.0002","8.7147","0.0002","15.8569","0.0005","90","","90","","90","","1204.27","0.05","293","2","293","3","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Gd10 S19 -","- Gd9.481 S19.1866 -","- Gd18.962 S38.3732 -","2","0.25","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","10.0431","","","","","","","","has coordinates","281156","2023-02-27","11:00:59",""
"4004087","4.07711","0.00013","4.07711","0.00013","21.917","0.0008","90","","90","","120","","315.513","0.018","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd K S2 -","- Gd K S2.00012 -","- Gd3 K3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","21.5299","","","","","","","","has coordinates","281157","2023-02-27","11:01:51",""
"4004088","5.52988","0.00005","5.52988","0.00005","5.52988","0.00005","90","","90","","90","","169.101","0.003","293","2","293","3","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Gd Li S2 -","- Gd0.99952 Li0.99952 S2 -","- Gd1.99904 Li1.99904 S4 -","2","0.0104167","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","6.0942","","","","","","","","has coordinates","281158","2023-02-27","11:02:52",""
"4004089","4.01349","0.00005","4.01349","0.00005","19.9189","0.0004","90","","90","","120","","277.869","0.007","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd Na S2 -","- Gd Na S2.00012 -","- Gd3 Na3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","7.2699","","","","","","","","has coordinates","281159","2023-02-27","11:03:32",""
"4004090","4.09729","0.00009","4.09729","0.00009","22.874","0.0007","90","","90","","120","","332.557","0.015","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd Rb S2 -","- Gd Rb S2.00012 -","- Gd3 Rb3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","17.7168","","","","","","","","has coordinates","281160","2023-02-27","11:04:20",""
"4038972","10.4841","0.0001","20.5016","0.0002","13.3506","0.0001","90","","105.05","0.001","90","","2771.16","0.05","152","3","152","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Mo2 O7 P W -","- C26 H29 Mo2 O7 P W -","- C104 H116 Mo8 O28 P4 W4 -","4","1","","Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters","Journal of Organometallic Chemistry","2022","959","","122206","","10.1016/j.jorganchem.2021.122206","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.063","","","","","","1.062","","","","has coordinates","272281","2022-01-27","09:57:52",""
"4038973","17.3932","0.0003","17.6468","0.0002","18.7329","0.0004","90","","113.905","0.002","90","","5256.55","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Fe Mo2 O6 P -","- C25 H31 Fe Mo2 O6 P -","- C200 H248 Fe8 Mo16 O48 P8 -","8","2","","Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters","Journal of Organometallic Chemistry","2022","959","","122206","","10.1016/j.jorganchem.2021.122206","","x-ray","1.54184","CuKα","","0.0429","0.0364","","","0.0877","0.0918","","","","","","1.029","","","","has coordinates","272281","2022-01-27","09:57:55",""
"4038989","16.44","0.002","17.2113","0.0015","14.4688","0.0014","90","","116.005","0.005","90","","3679.5","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","4","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.1286","0.0736","","","0.2149","0.2765","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","275603","2022-05-22","12:30:18",""
"4038990","4.9738","0.0002","12.2716","0.0004","14.6059","0.0005","90","","90","","90","","891.49","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Azidotetrazolo(5,1-a)phthalazine","6-azido-4H-tetrazolo[5,1-a]phthalazine","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.029","0.0271","","","0.0737","0.0755","","","","","","1.035","","","","has coordinates,has Fobs","275604","2022-05-22","12:30:35",""
"4038991","16.4145","0.001","17.1201","0.0009","19.7351","0.0012","76.729","0.003","85.855","0.003","89.965","0.003","5383","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C192 H96 N192 -","24","12","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.0879","0.0674","","","0.1805","0.1976","","","","","","1.026","","","","has coordinates,has Fobs","275605","2022-05-22","12:30:54",""
"4038992","16.423","0.0008","17.1344","0.0008","25.7615","0.0013","90","","97.989","0.002","90","","7178.9","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C256 H128 N256 -","32","8","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.1302","0.1126","","","0.2999","0.3176","","","","","","1.103","","","","has coordinates,has Fobs","275606","2022-05-22","12:31:10",""
"4038993","4.9733","0.0001","12.1827","0.0003","14.5857","0.0003","90","","92.319","0.001","90","","883","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","2","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0351","0.0351","","","0.1015","0.1015","","","","","","1.059","","","","has coordinates,has Fobs","275607","2022-05-22","12:31:22",""
"4038994","8.3082","0.0004","13.8805","0.0006","8.052","0.0004","90","","100.967","0.002","90","","911.61","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0344","0.0315","","","0.0893","0.0925","","","","","","1.05","","","","has coordinates,has Fobs","275608","2022-05-22","12:31:33",""
"4038995","20.2505","0.001","33.1064","0.0015","5.3773","0.0003","90","","90","","90","","3605.1","0.3","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C128 H64 N128 -","16","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0404","0.0367","","","0.0908","0.0934","","","","","","1.062","","","","has coordinates,has Fobs","275609","2022-05-22","12:40:24",""
"4038996","6.1658","0.0001","17.1862","0.0003","8.8111","0.0002","90","","102.164","0.001","90","","912.72","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0445","0.0429","","","0.1071","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","275610","2022-05-22","12:40:35",""
"4038997","7.4796","0.0002","5.1345","0.0001","11.9958","0.0003","90","","104.155","0.001","90","","446.699","0.019","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H4 N8 -","- C8 H4 N8 -","- C16 H8 N16 -","2","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.54178","CuKα","","0.0359","0.0358","","","0.0904","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","275611","2022-05-22","12:40:46",""
"4038998","18.3893","0.0004","18.6897","0.0005","12.66","0.0003","90","","90","","90","","4351.12","0.18","150","","150","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25.5 H20 O5.5 -","- C25.5 H20 O5.5 -","- C204 H160 O44 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0473","0.0467","","","0.1283","0.1297","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","276090","2022-06-18","15:03:08",""
"4038999","12.8587","0.0003","8.9635","0.0002","30.2132","0.0007","90","","90","","90","","3482.34","0.14","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0456","0.0376","","","0.0974","0.1038","","","","","","1.033","","","","has coordinates,has Fobs","276091","2022-06-18","15:03:22",""
"4039000","12.955","0.0012","9.0569","0.0009","30.47","0.003","90","","90","","90","","3575.1","0.6","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0478","0.0419","","","0.106","0.112","","","","","","1.038","","","","has coordinates,has Fobs","276094","2022-06-18","15:03:36",""
"4039001","3.8692","0.0002","13.0002","0.0005","13.4342","0.0006","90","","92.021","0.002","90","","675.32","0.05","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0488","0.048","","","0.1436","0.1443","","","","","","1.166","","","","has coordinates,has Fobs","276095","2022-06-18","15:03:46",""
"4039002","3.7666","0.0004","11.9321","0.0013","9.487","0.0009","90","","90.18","0.007","90","","426.38","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O2 -","- C12 H8 O2 -","- C24 H16 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0536","0.0446","","","0.1292","0.1443","","","","","","0.943","","","","has coordinates,has Fobs","276096","2022-06-18","15:03:56",""
"4039003","9.4974","0.0005","20.7529","0.0009","4.8353","0.0003","90","","90","","90","","953.03","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0518","0.0408","","","0.0913","0.0962","","","","","","1.139","","","","has coordinates,has Fobs","276097","2022-06-18","15:04:07",""
"4039004","4.8559","0.0001","10.7212","0.0003","12.4441","0.0003","90","","98.773","0.001","90","","640.27","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Br4 O2 -","- C12 H4 Br4 O2 -","- C24 H8 Br8 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0349","0.0348","","","0.0964","0.0964","","","","","","1.159","","","","has coordinates,has Fobs","276098","2022-06-18","15:04:16",""
"4039005","7.4617","0.0005","10.9134","0.0006","11.5066","0.0006","81.561","0.003","74.206","0.004","83.191","0.004","888.83","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H4 Cl4 O2 -","- C12 H4 Cl4 O2 -","- C36 H12 Cl12 O6 -","3","1.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0545","0.0476","","","0.1231","0.1292","","","","","","1.019","","","","has coordinates,has Fobs","276099","2022-06-18","15:04:34",""
"4039006","6.9048","0.0002","4.6436","0.0001","19.7929","0.0006","90","","99.258","0.001","90","","626.36","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C32 H36 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0416","0.0397","","","0.1215","0.1244","","","","","","1.107","","","","has coordinates,has Fobs","276100","2022-06-18","15:04:48",""
"4039007","5.1591","0.0004","11.0703","0.0008","10.7115","0.0007","90","","95.006","0.005","90","","609.43","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0394","0.0371","","","0.1111","0.1134","","","","","","1.101","","","","has coordinates,has Fobs","276101","2022-06-18","15:04:59",""
"4039008","5.576","0.0003","10.2185","0.0005","10.9447","0.0005","90","","90.06","0.002","90","","623.61","0.05","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0364","0.0359","","","0.101","0.1015","","","","","","1.055","","","","has coordinates,has Fobs","276102","2022-06-18","15:05:08",""
"4039009","9.9404","0.0003","12.579","0.0004","15.1193","0.0004","90","","90","","90","","1890.52","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0379","0.0376","","","0.0996","0.0999","","","","","","1.043","","","","has coordinates,has Fobs","276103","2022-06-18","15:05:19",""
"4039010","3.9361","0.0005","8.1328","0.0012","10.09","0.0015","103.215","0.006","98.917","0.006","94.489","0.006","308.46","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C16 H17 O2 -","- C16 H17 O2 -","- C16 H17 O2 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.34139","GaKα","","0.0479","0.0448","","","0.1362","0.1406","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","280031","2022-12-24","15:22:43",""
"4039011","7.7126","0.0006","8.7927","0.0007","10.319","0.0008","97.989","0.004","102.763","0.005","115.573","0.005","593.39","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diol","","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","- C28 H22 Cl4 O4 -","1","0.5","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.1087","0.096","","","0.2257","0.2428","","","","","","1.069","","","","has coordinates,has Fobs","280032","2022-12-24","15:22:53",""
"4039012","7.8307","0.0003","8.1915","0.0003","10.2693","0.0006","75.078","0.003","76.037","0.002","85.769","0.003","617.66","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-tetramethyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]- 4,4'-dione 3,3',5,5'-tetrabromo[1,1'-biphenyl]-4,4'-diol","","- C14 H11 Br2 O2 -","- C14 H11 Br2 O2 -","- C28 H22 Br4 O4 -","2","1","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0773","0.0678","","","0.1851","0.1938","","","","","","1.153","","","","has coordinates,has Fobs","280033","2022-12-24","15:23:02",""
"4039013","19.7264","0.0005","6.2955","0.0002","8.8067","0.0002","90","","110.054","0.001","90","","1027.37","0.05","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Cl4 O4 -","- C22 H18 Cl4 O4 -","- C44 H36 Cl8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.027","0.0269","","","0.0773","0.0775","","","","","","1.074","","","","has coordinates,has Fobs","280034","2022-12-24","15:23:12",""
"4039014","19.8053","0.0003","6.3558","0.00001","9.0498","0.0002","90","","109.266","0.0001","90","","1075.38","0.03","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diol","","- C22 H18 Br4 O4 -","- C22 H18 Br4 O4 -","- C44 H36 Br8 O8 -","2","0.25","","Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D.","Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes","The Journal of organic chemistry","2022","87","","15796","15805","10.1021/acs.joc.2c01805","","x-ray","1.54178","CuKα","","0.0253","0.0253","","","0.0726","0.0726","","","","","","1.201","","","","has coordinates,has Fobs","280035","2022-12-24","15:23:22",""
"4039015","9.3943","0.0007","9.6599","0.0008","11.7278","0.001","68.234","0.003","76.018","0.003","64.339","0.003","886.73","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl2 N3 Pt S -","- C18 H15 Cl2 N3 Pt S -","- C36 H30 Cl4 N6 Pt2 S2 -","2","1","","Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente","Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines","Journal of Inorganic Biochemistry","2022","227","","111688","","10.1016/j.jinorgbio.2021.111688","","","0.71073","MoKα","","0.0167","0.0153","","","0.037","0.0375","","","","","","1.057","","","","has coordinates","280915","2023-02-15","11:47:16",""
"4039016","9.5617","0.0007","11.1072","0.0009","11.4558","0.0009","66.525","0.003","77.155","0.003","74.355","0.003","1065.48","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 N4 Pt S -","- C21 H20 Cl2 N4 Pt S -","- C42 H40 Cl4 N8 Pt2 S2 -","2","1","","Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente","Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines","Journal of Inorganic Biochemistry","2022","227","","111688","","10.1016/j.jinorgbio.2021.111688","","","0.71073","MoKα","","0.0135","0.0123","","","0.036","0.0366","","","","","","0.974","","","","has coordinates","280916","2023-02-15","11:47:32",""
"4039017","16.2764","0.0015","6.7492","0.0006","8.8152","0.0008","90","","95.47","0.002","90","","963.96","0.15","170","2","170","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C6 H7 Cl2 N3 Pt S -","- C6 H7 Cl2 N3 Pt S -","- C24 H28 Cl8 N12 Pt4 S4 -","4","0.5","","Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente","Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines","Journal of Inorganic Biochemistry","2022","227","","111688","","10.1016/j.jinorgbio.2021.111688","","x-ray","0.71073","MoKα","","0.0174","0.0167","","","0.0416","0.0419","","","","","","1.075","","","","has coordinates","280917","2023-02-15","11:47:45",""
"4039018","9.042","0.002","7.4539","0.0019","16.156","0.004","90","","101.815","0.003","90","","1065.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Cl2 N3 Pt S -","- C7 H9 Cl2 N3 Pt S -","- C28 H36 Cl8 N12 Pt4 S4 -","4","1","","Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente","Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines","Journal of Inorganic Biochemistry","2022","227","","111688","","10.1016/j.jinorgbio.2021.111688","","","0.71073","MoKα","","0.0214","0.0198","","","0.0451","0.0458","","","","","","1.071","","","","has coordinates","280918","2023-02-15","11:47:56",""
"4350817","3.8854","0.0003","14.0556","0.0009","3.73791","0.00017","90","","90","","90","","204.13","0.02","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- H0.36 Mo O3 -","- H0.36 Mo O3 -","- H1.44 Mo4 O12 -","4","0.25","","Keilholz, Simon; Kohlmann, Holger; Uhlenhut, Henning; Gabke, Andrea; García-Schollenbruch, Marleny","In Situ X-ray Diffraction Studies on the Production Process of Molybdenum","Inorganic Chemistry","2022","61","26","10126","10132","10.1021/acs.inorgchem.2c01226","powder diffraction","","1.54184","CuKα","","","","","","","","","0.00624","2.69","","","","","","","has coordinates","278774","2022-10-25","12:20:53",""
"4519274","53.477","0.004","8.4509","0.0006","8.4407","0.0005","90","","90","","90","","3814.6","0.5","284","2","284","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H38 Br12 N4 Pb3 -","- C12 H38 Br12 N4 Pb3 -","- C48 H152 Br48 N16 Pb12 -","4","1","","Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua","Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.","ACS applied materials & interfaces","2022","14","4","5608","5614","10.1021/acsami.1c21262","","","0.71073","MoKα","","0.1231","0.0674","","","0.1703","0.207","","","","","","0.99","","","","has coordinates","272444","2022-02-03","20:01:44",""
"4519275","32.603","0.012","32.603","0.012","16.679","0.008","90","","90","","120","","15354","11","150","2","150","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C48 H24 Mn2 N4 O11.67 V -","- C48 H24 Mn2 N4 O11.6667 V -","- C144 H72 Mn6 N12 O35 V3 -","3","0.125","","Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying","Vanadium(V<sup>IV</sup>)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp<sup>3</sup>)-H Bonds.","ACS applied materials & interfaces","2022","14","2","2794","2804","10.1021/acsami.1c20420","","","0.71073","MoKα","","0.1975","0.1362","","","0.2987","0.3123","","","","","","1.338","","","","has coordinates","272445","2022-02-03","20:02:18",""
"4519276","21.8128","0.0003","21.8128","0.0003","16.9894","0.0004","90","","90","","120","","7000.5","0.2","283","","283","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- C132 Nd4.17 O36.77 Yb5.9 -","- C132 Nd4.023 O36.5708 Yb5.647 -","- C132 Nd4.023 O36.5708 Yb5.647 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0957","0.0735","","","0.2067","0.2415","","","","","","1.095","","","","has coordinates,has disorder","272446","2022-02-03","20:03:14",""
"4519277","22.29","0.0006","22.29","0.0006","16.495","0.0008","90","","90","","120","","7097.5","0.4","150","","150","","","","","","","","","5","P 3 m 1","P 3 -2""","156","","","","- C132 Eu5.8 Nd3.2 O45.68 Yb0.32 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.1149","0.0846","","","0.208","0.2375","","","","","","1.126","","","","has coordinates,has disorder","272447","2022-02-03","20:04:10",""
"4519278","22.3548","0.0006","22.3548","0.0006","16.5163","0.0007","90","","90","","120","","7148","0.4","150","","150","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Phase 1 Eu TBAP","","- C132 Eu9.09 O44.72 -","- C132 Eu9.092 O44.744 -","- C132 Eu9.092 O44.744 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0615","0.052","","","0.1403","0.1505","","","","","","1.073","","","","has coordinates,has disorder","272448","2022-02-03","20:05:19",""
"4519279","21.7387","0.0006","21.7387","0.0006","16.9015","0.0008","90","","90","","120","","6917.1","0.4","275","","275","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","","","- C132 O45.32 Yb9.76 -","- C132 O45.326 Yb9.768 -","- C132 O45.326 Yb9.768 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0741","0.0605","","","0.1654","0.1835","","","","","","1.046","","","","has coordinates,has disorder","272449","2022-02-03","20:06:23",""
"4519280","11.8574","0.0005","12.9781","0.0006","17.527","0.0008","90","","90","","90","","2697.2","0.2","301","2","301","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Cd2 Cs2 Ga8 S15 -","- Cd2 Cs2 Ga8 S15 -","- Cd8 Cs8 Ga32 S60 -","4","0.5","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0279","0.0257","","","0.0564","0.0569","","","","","","1.016","","","","has coordinates","272450","2022-02-03","20:06:55",""
"4519281","18.194","0.0011","18.5228","0.0011","9.8042","0.0008","90","","90","","90","","3304.1","0.4","299","2","299","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cd4 Ga3 Rb S9 -","- Cd4 Ga3 Rb S9 -","- Cd32 Ga24 Rb8 S72 -","8","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0312","0.03","","","0.0763","0.0767","","","","","","1.087","","","","has coordinates","272451","2022-02-03","20:07:27",""
"4519282","13.0701","0.0003","11.6218","0.0003","12.2714","0.0003","90","","90","","90","","1864","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd3 Ga5 K S11 -","- Cd3 Ga5 K S11 -","- Cd12 Ga20 K4 S44 -","4","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.023","0.0208","","","0.0423","0.0427","","","","","","1.067","","","","has coordinates","272452","2022-02-03","20:07:49",""
"4519283","10.159","0.004","9.178","0.004","17.895","0.007","90","","96.617","0.012","90","","1657.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 Cl4 Co4 F4 N8 O8 -","- C64 H64 Cl4 Co4 F4 N8 O8 -","- C64 H64 Cl4 Co4 F4 N8 O8 -","1","0.25","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0297","0.0238","","","0.0539","0.057","","","","","","1.05","","","","has coordinates","272453","2022-02-03","20:34:58",""
"4519284","9.1336","0.0004","12.9774","0.0005","18.9147","0.0007","99.113","0.002","96.967","0.002","107.686","0.002","2074.56","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 Cl2 Co2 N8 O8 -","- C78 H130 Cl2 Co2 N8 O8 -","- C78 H130 Cl2 Co2 N8 O8 -","1","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.057","0.0423","","","0.09","0.0969","","","","","","1.091","","","","has coordinates,has disorder","272454","2022-02-03","20:35:17",""
"4519285","14.2566","0.0007","14.6272","0.0006","15.6252","0.0007","73.694","0.002","69.455","0.002","86.611","0.002","2925.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Co N2 O2 -","- C54 H76 Co N2 O2 -","- C108 H152 Co2 N4 O4 -","2","1","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0862","0.0697","","","0.1661","0.1732","","","","","","1.137","","","","has coordinates,has disorder","272455","2022-02-03","20:35:41",""
"4519286","9.9281","0.0002","19.0648","0.0004","16.0575","0.0003","90","","103.738","0.001","90","","2952.37","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl8 Co2 N4 O8 -","- C58 H56 Cl8 Co2 N4 O8 -","- C116 H112 Cl16 Co4 N8 O16 -","2","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0453","0.0368","","","0.081","0.0843","","","","","","1.088","","","","has coordinates,has disorder","272456","2022-02-03","20:36:05",""
"4519287","8.9504","0.0002","11.3578","0.0003","11.9921","0.0003","84.297","0.001","87.43","0.001","71.693","0.001","1151.53","0.05","273","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co2 N4 O8 -","- C56 H48 Co2 N4 O8 -","- C56 H48 Co2 N4 O8 -","1","0.5","","Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.","Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands","ACS Catalysis","2022","","","1905","1918","10.1021/acscatal.1c05586","","","0.71073","MoKα","","0.0359","0.0296","","","0.0719","0.0751","","","","","","1.062","","","","has coordinates","272457","2022-02-03","20:36:26",""
"4519288","9.1912","0.0007","12.9247","0.0008","18.6126","0.0005","97.232","0.004","97.041","0.005","109.612","0.006","2033.8","0.2","274","30","274","30","","","","","","","","6","P 1","P 1","1","","","","- C20 H21 F2 N O3 Si -","- C20 H21 F2 N O3 Si -","- C80 H84 F8 N4 O12 Si4 -","4","4","","Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao","Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement","ACS Catalysis","2022","","","2150","2157","10.1021/acscatal.2c00100","","x-ray","1.54184","CuKα","","0.2528","0.1285","","","0.3256","0.4322","","","","","","1.138","","","","has coordinates","272458","2022-02-03","20:36:56",""
"4519289","11.6087","0.0002","12.4217","0.0002","22.4749","0.0004","90","","90","","90","","3240.88","0.1","120","2","120.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 F3 Fe N O6 -","- C32 H40 B2 F3 Fe N O6 -","- C128 H160 B8 F12 Fe4 N4 O24 -","4","1","","Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights","ACS Catalysis","2022","","","1830","1840","10.1021/acscatal.1c05299","","","1.54178","CuKα","","0.0476","0.0464","","","0.1128","0.1135","","","","","","1.035","","","","has coordinates","272459","2022-02-03","20:37:23",""
"4519290","9.8706","0.0004","5.4872","0.0002","20.3442","0.0008","90","","95.248","0.002","90","","1097.26","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 S -","- C22 H24 Cl N O4 S -","- C44 H48 Cl2 N2 O8 S2 -","2","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0374","0.0367","","","0.0935","0.0942","","","","","","1.052","","","","has coordinates,has disorder","272460","2022-02-03","20:37:50",""
"4519291","22.954","0.003","8.0412","0.0011","10.4938","0.0014","90","","94.297","0.005","90","","1931.5","0.4","172","2","172","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0303","0.0298","","","0.08","0.0805","","","","","","1.071","","","","has coordinates","272461","2022-02-03","20:38:11",""
"4519292","5.3884","0.0001","14.8582","0.0003","23.6108","0.0005","90","","90","","90","","1890.33","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0559","0.0473","","","0.114","0.1265","","","","","","1.071","","","","has coordinates","272462","2022-02-03","20:38:28",""
"4519293","4.6204","0.0001","7.0144","0.0001","36.1467","0.0005","90","","90","","90","","1171.49","0.03","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit","ACS Catalysis","2022","","","2206","2211","10.1021/acscatal.1c05746","","x-ray","1.54184","CuKα","","0.0325","0.0318","","","0.096","0.0966","","","","","","1.031","","","","has coordinates","272463","2022-02-03","20:38:50",""
"4519294","13.1519","0.0004","27.2945","0.0008","14.7065","0.0004","90","","97.54","0.003","90","","5233.6","0.3","200","0.1","200","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Co N4 O11 S2 -","- C51 H59 Co N4 O11 S2 -","- C204 H236 Co4 N16 O44 S8 -","4","1","","Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long","Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization","ACS Catalysis","2022","","","1650","1656","10.1021/acscatal.1c05250","","x-ray","1.54184","CuKα","","0.1068","0.0762","","","0.2147","0.2296","","","","","","1.064","","","","has coordinates","272464","2022-02-03","20:39:20",""
"4519295","30.4714","0.0006","7.81348","0.00013","16.8852","0.0003","90","","96.0459","0.0016","90","","3997.8","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C208 H160 N16 O8 -","8","1","","Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long","Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization","ACS Catalysis","2022","","","1650","1656","10.1021/acscatal.1c05250","","x-ray","1.54184","CuKα","","0.0535","0.0457","","","0.1261","0.1363","","","","","","1.029","","","","has coordinates","272465","2022-02-03","20:39:50",""
"4519296","11.9758","0.0004","27.1961","0.0009","12.687","0.0004","90","","107.865","0.002","90","","3932.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N2 Ni O5 P2 S -","- C42 H42 N2 Ni O5 P2 S -","- C168 H168 N8 Ni4 O20 P8 S4 -","4","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.054","0.042","","","0.1083","0.1169","","","","","","1.032","","","","has coordinates","272466","2022-02-03","20:41:08",""
"4519297","10.7191","0.0003","12.009","0.0004","18.2064","0.0006","82.6614","0.0012","76.5673","0.0011","71.5732","0.001","2158.89","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H51 N Ni O5 P2 S -","- C48 H51 N Ni O5 P2 S -","- C96 H102 N2 Ni2 O10 P4 S2 -","2","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.0371","0.0363","","","0.0923","0.0929","","","","","","1.026","","","","has coordinates","272467","2022-02-03","20:41:32",""
"4519298","13.07","0.002","14.339","0.003","21.988","0.004","90","","90","","90","","4120.8","1.3","123","","123.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C160 H160 B8 Cl12 Cu4 F32 N16 O8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0822","0.0659","","","0.1912","0.2042","","","","","","1.009","","","","has coordinates","272468","2022-02-03","20:41:56",""
"4519299","14.6616","0.0011","15.7092","0.0013","19.6198","0.0016","90","","90","","90","","4518.9","0.6","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cu F6 N4 O10 S2 -","- C41 H48 Cu F6 N4 O10 S2 -","- C164 H192 Cu4 F24 N16 O40 S8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0443","0.0411","","","0.1084","0.1099","","","","","","1.033","","","","has coordinates","272469","2022-02-03","20:42:19",""
"4519300","24.644","0.0014","7.0908","0.0004","20.5784","0.0013","90","","91.432","0.002","90","","3594.9","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes","ACS Catalysis","2022","12","2","993","1003","10.1021/acscatal.1c04580","","","0.71073","MoKα","","0.0837","0.0643","","","0.1632","0.1761","","","","","","1.089","","","","has coordinates","272471","2022-02-03","20:42:45",""
"4519301","14.4266","0.0002","7.4071","0.0001","33.2757","0.0006","90","","96.682","0.001","90","","3531.66","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O8 S2 -","- C40 H38 N2 O8 S2 -","- C160 H152 N8 O32 S8 -","4","1","","He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle","ACS Catalysis","2022","12","2","1595","1600","10.1021/acscatal.1c05675","","x-ray","1.54184","CuKα","","0.0434","0.04","","","0.1062","0.109","","","","","","1.052","","","","has coordinates","272472","2022-02-03","20:43:21",""
"4519302","27.2805","0.0005","9.5063","0.0002","18.9097","0.0003","90","","92.819","0.002","90","","4898.04","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.0741","0.0663","","","0.1442","0.1482","","","","","","1.088","","","","has coordinates","272473","2022-02-03","20:43:47",""
"4519303","24.2586","0.0015","10.3745","0.0007","18.8315","0.0008","90","","93.703","0.004","90","","4729.4","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 N O3 -","- C25 H36 N O3 -","- C200 H288 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.1135","0.0947","","","0.1595","0.1672","","","","","","1.072","","","","has coordinates,has disorder","272474","2022-02-03","20:44:22",""
"4519304","4.86815","0.00014","8.4796","0.0003","15.0305","0.0004","75.423","0.002","85.496","0.002","84.466","0.002","596.74","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","","Leclair, Alexandre; Wang, Qian; Zhu, Jieping","Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine","ACS Catalysis","2022","12","2","1209","1215","10.1021/acscatal.1c05621","","x-ray","1.54184","CuKα","","0.0355","0.0346","","","0.0879","0.0887","","","","","","1.032","","","","has coordinates","272475","2022-02-03","20:44:45",""
"4519305","26.2423","0.001","15.2953","0.0004","7.4169","0.0002","90","","90","","90","","2977.02","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.0639","0.0544","","","0.1354","0.1431","","","","","","1.087","","","","has coordinates,has disorder","272476","2022-02-03","20:45:08",""
"4519306","6.8134","0.0005","14.9283","0.0008","16.487","0.0009","87.748","0.004","78.963","0.005","79.267","0.005","1617.11","0.18","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H35 N3 O8 -","- C36 H35 N3 O8 -","- C72 H70 N6 O16 -","2","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","0.71073","MoKα","","0.0994","0.0703","","","0.1649","0.1945","","","","","","1.042","","","","has coordinates","272477","2022-02-03","20:45:31",""
"4519307","6.36481","0.00013","17.9645","0.0004","18.8399","0.0004","90","","90","","90","","2154.17","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C92 H100 N20 O16 -","4","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.04","0.038","","","0.1006","0.1024","","","","","","1.124","","","","has coordinates","272478","2022-02-03","20:45:51",""
"4519308","16.9883","0.0004","11.5454","0.0003","25.4733","0.0006","90","","104.9","0.001","90","","4828.3","0.2","299","2","299","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","CQN2","","- C68 H42 N6 -","- C34 H21 N3 -","- C272 H168 N24 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.0756","0.0467","","","0.1236","0.1384","","","","","","1.139","","","","has coordinates","272479","2022-02-03","21:24:37",""
"4519309","5.4935","0.0005","23.625","0.002","18.7705","0.0019","90","","91.838","0.003","90","","2434.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CQN1","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.1122","0.0773","","","0.1981","0.2221","","","","","","1.095","","","","has coordinates","272480","2022-02-03","21:25:01",""
"4519310","22.7897","0.0016","11.5629","0.0011","18.4891","0.0013","90","","90","","90","","4872.2","0.7","297","2","297","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","CQM","","- C34 H24 N2 -","- C34 H24 N2 -","- C272 H192 N16 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.073","0.0398","","","0.0927","0.1137","","","","","","1.021","","","","has coordinates","272481","2022-02-03","21:25:24",""
"4519311","8.6805","0.0002","9.276","0.0002","10.4682","0.0002","75.499","0.001","83.008","0.001","67.834","0.001","755.39","0.03","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C30 H30 N6 O6 S2 -","2","1","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.0675","0.0501","","","0.1288","0.1378","","","","","","1.073","","","","has coordinates","272482","2022-02-03","21:25:44",""
"4519312","9.9488","0.0006","12.8366","0.0007","18.5222","0.0011","90","","90","","90","","2365.4","0.2","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","S-216","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C104 H88 N24 O8 S8 -","8","2","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.053","0.0427","","","0.0929","0.0962","","","","","","0.992","","","","has coordinates","272483","2022-02-03","21:26:05",""
"4519313","12.1286","0.0012","11.7919","0.0011","21.603","0.002","90","","92.461","0.003","90","","3086.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Eu2 N10 O12 -","- C62 H44 Cl4 Eu2 N10 O12 -","- C124 H88 Cl8 Eu4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0376","0.0352","","","0.1235","0.1308","","","","","","1.013","","","","has coordinates","272484","2022-02-03","21:26:26",""
"4519314","12.0593","0.0001","11.7251","0.0001","21.6822","0.0002","90","","92.72","0.001","90","","3062.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Dy2 N10 O12 -","- C62 H44 Cl4 Dy2 N10 O12 -","- C124 H88 Cl8 Dy4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0508","0.0424","","","0.1403","0.1558","","","","","","1.002","","","","has coordinates","272485","2022-02-03","21:26:49",""
"4519315","12.0765","0.0001","11.7333","0.0001","21.6298","0.0002","90","","92.55","","90","","3061.85","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 N10 O12 Tb2 -","- C62 H44 Cl4 N10 O12 Tb2 -","- C124 H88 Cl8 N20 O24 Tb4 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0459","0.0407","","","0.1375","0.1475","","","","","","0.977","","","","has coordinates","272486","2022-02-03","21:27:21",""
"4519316","12.0936","0.0001","11.7499","0.0002","21.6432","0.0003","90","","92.625","0.001","90","","3072.24","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Gd2 N10 O12 -","- C62 H44 Cl4 Gd2 N10 O12 -","- C124 H88 Cl8 Gd4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0611","0.054","","","0.2129","0.2463","","","","","","1.005","","","","has coordinates","272487","2022-02-03","21:27:41",""
"4519317","29.689","0.005","14.194","0.002","20.253","0.003","90","","108.716","0.002","90","","8083","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H137 Br La N11 O16 -","- C66 H137 Br La N11 O16 -","- C264 H548 Br4 La4 N44 O64 -","4","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0819","0.0471","","","0.1201","0.1381","","","","","","1.021","","","","has coordinates,has disorder","272488","2022-02-03","21:28:10",""
"4519318","5.8282","0.0016","6.931","0.0019","56.791","0.015","90","","92.934","0.003","90","","2291.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate","","- C44 H92 Br2 N4 O -","- C44 H92 Br2 N4 O -","- C88 H184 Br4 N8 O2 -","2","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0835","0.0549","","","0.0891","0.0984","","","","","","0.943","","","","has coordinates","272489","2022-02-03","21:28:36",""
"4519319","6.994","0.005","6.994","0.005","9.897","0.004","90","","90","","90","","484.1","0.5","293","","293","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C2 Ca O5 -","- C2 Ca O5 -","- C16 Ca8 O40 -","8","0.5","","König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn","Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle","ACS Earth and Space Chemistry","2022","6","1","73","80","10.1021/acsearthspacechem.1c00284","","x-ray","0.2905","synchrotron","","0.1355","0.0667","","","0.0646","0.0873","","","","1.51","1.51","1.3","","","","has coordinates","272490","2022-02-03","21:35:45",""
"4519320","40.2698","0.001","40.2698","0.001","23.9273","0.001","90","","90","","120","","33603.4","1.8","275","","275","","","","","","","","","4","P 3","P 3","143","","","","- C138 Nd6 O64 Yb6 -","- C138 Nd6 O64 Yb6 -","- C414 Nd18 O192 Yb18 -","3","1","","Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A.","Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF.","ACS applied materials & interfaces","2022","14","8","10566","10576","10.1021/acsami.1c24477","","","1.54178","CuKα","","0.1833","0.1084","","","0.3154","0.3743","","","","","","1.204","","","","has coordinates,has disorder","273230","2022-03-03","19:53:02",""
"4519321","9.314","0.005","5.943","0.003","13.344","0.008","90","","97.847","0.018","90","","731.7","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N10 O10 -","- C6 H6 N10 O10 -","- C12 H12 N20 O20 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1555","0.0714","","","0.1764","0.2201","","","","","","1.035","","","","has coordinates","273231","2022-03-03","19:53:44",""
"4519322","8.998","0.0005","4.7624","0.0003","15.5601","0.001","90","","99.744","0.002","90","","657.16","0.07","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 K2 N10 O8 -","- C6 K2 N10 O8 -","- C12 K4 N20 O16 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0349","0.0292","","","0.0734","0.078","","","","","","1.027","","","","has coordinates","273232","2022-03-03","19:54:08",""
"4519323","8.7185","0.0004","10.9411","0.0004","18.8132","0.0007","90","","90","","90","","1794.59","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N6 O6 -","- C6 H4 N6 O6 -","- C48 H32 N48 O48 -","8","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0502","0.0339","","","0.0795","0.0888","","","","","","1.043","","","","has coordinates","273233","2022-03-03","19:54:29",""
"4519324","7.1996","0.0007","10.1924","0.001","11.2601","0.0011","101.457","0.003","92.636","0.003","99.304","0.003","796.55","0.14","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N12 O10 -","- C6 H12 N12 O10 -","- C12 H24 N24 O20 -","2","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1825","0.0862","","","0.1728","0.2015","","","","","","1.059","","","","has coordinates","273234","2022-03-03","19:54:50",""
"4519325","28.5283","0.0013","28.5283","0.0013","13.6804","0.0006","90","","90","","90","","11134","0.9","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H23 N3 O9 Sr -","- C28 H23 N3 O9 Sr -","- C448 H368 N48 O144 Sr16 -","16","1","","Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying","Metal-Organic Framework-Encapsulated Anthraquinone for Efficient Photocatalytic Hydrogen Atom Transfer.","ACS applied materials & interfaces","2022","14","6","7980","7989","10.1021/acsami.1c22872","","","0.71073","MoKα","","0.0759","0.0479","","","0.1155","0.1245","","","","","","1.147","","","","has coordinates","273235","2022-03-03","19:55:18",""
"4519326","10.0392","0.0001","15.8473","0.0002","18.4586","0.0002","73.212","0.001","86.207","0.001","72.155","0.001","2675.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Ca3 N4 O24 -","- C49 H34 Ca3 N4 O24 -","- C98 H68 Ca6 N8 O48 -","2","1","","Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing.","ACS applied materials & interfaces","2022","14","6","8458","8463","10.1021/acsami.1c23512","","","1.5478","CuKa","","0.0438","0.0405","","","0.1101","0.1126","","","","","","1.042","","","","has coordinates,has disorder","273236","2022-03-03","19:55:41",""
"4519327","8.9764","0.0005","10.4533","0.0006","16.0723","0.001","90","","90","","90","","1508.11","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao","A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification","ACS Catalysis","2022","","","2907","2914","10.1021/acscatal.1c05776","","","1.54178","CuKα","","0.0536","0.0313","","","0.0801","0.0856","","","","","","1.074","","","","has coordinates","273237","2022-03-03","20:18:42",""
"4519328","9.295","0.006","9.951","0.006","18.689","0.011","96.21","0.02","96.947","0.019","109.414","0.017","1597.9","1.7","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H50 N3 O3 Sc Si2 -","- C29.974 H49.948 N3 O3 Sc Si2 -","- C59.948 H99.896 N6 O6 Sc2 Si4 -","2","1","","Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C.","d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand","ACS Catalysis","2022","","","3094","3099","10.1021/acscatal.1c06002","","","0.71073","MoKα","","0.0808","0.0483","","","0.1159","0.1316","","","","","","1.032","","","","has coordinates","273238","2022-03-03","20:19:11",""
"4519329","6.7812","0.0001","22.3955","0.0005","12.8222","0.0002","90","","105.197","0.001","90","","1879.19","0.06","193","2","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Fe N O3 -","- C22 H19 Fe N O3 -","- C88 H76 Fe4 N4 O12 -","4","2","","Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li","Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes","ACS Catalysis","2022","","","3083","3093","10.1021/acscatal.2c00083","","","1.34139","GaKα","","0.0621","0.0495","","","0.1203","0.1294","","","","","","1.028","","","","has coordinates","273239","2022-03-03","20:19:35",""
"4519330","8.8621","0.0013","10.1071","0.0015","10.9059","0.0015","93.225","0.004","112.881","0.004","109.629","0.004","827.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O -","- C23 H18 O -","- C46 H36 O2 -","2","1","","Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark","Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction","ACS Catalysis","2022","","","3291","3301","10.1021/acscatal.1c06046","","","0.71073","MoKα","","0.0672","0.0413","","","0.0897","0.1","","","","","","1.043","","","","has coordinates","273240","2022-03-03","20:20:05",""
"4519331","6.37486","0.00013","13.7162","0.0003","15.6002","0.0004","90","","90","","90","","1364.06","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71075","MoKα","","0.0316","0.0299","","","0.0758","0.0767","","","","","","1.053","","","","has coordinates","273241","2022-03-03","20:20:26",""
"4519332","7.4832","0.0007","16.3724","0.0016","8.0317","0.0008","90","","109.335","0.002","90","","928.53","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71073","MoKα","","0.0415","0.0359","","","0.0964","0.1004","","","","","","1.137","","","","has coordinates","273242","2022-03-03","20:20:50",""
"4519333","6.8234","0.0012","9.9156","0.0018","10.9182","0.0018","90","","93.902","0.004","90","","737","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71073","MoKα","","0.0579","0.0468","","","0.1242","0.1332","","","","","","1.053","","","","has coordinates","273243","2022-03-03","20:21:12",""
"4519334","9.7943","0.0009","10.8646","0.0009","13.9683","0.0011","100.077","0.003","105.481","0.003","107.418","0.003","1313.2","0.2","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H45 B F4 N2 Ni O P2 -","- C20 H45 B F4 N2 Ni O P2 -","- C40 H90 B2 F8 N4 Ni2 O2 P4 -","2","1","","Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S.","Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex","ACS Catalysis","2022","","","2729","2740","10.1021/acscatal.1c05509","","","0.71073","MoKα","","0.0234","0.0222","","","0.0567","0.0577","","","","","","1.031","","","","has coordinates,has disorder","273244","2022-03-03","20:21:38",""
"4519335","12.173","0.0011","20.1578","0.0016","33.802","0.003","106.291","0.004","97.137","0.003","92.346","0.003","7874.6","1.2","107","2","107","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H57.25 B2 F8 N2.5 Ni P2 -","- C32 H57.25 B2 F8 N2.5 Ni P2 -","- C256 H458 B16 F64 N20 Ni8 P16 -","8","4","","Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S.","Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex","ACS Catalysis","2022","","","2729","2740","10.1021/acscatal.1c05509","","","0.71073","MoKα","","0.1183","0.1166","","","0.2648","0.2654","","","","","","1.209","","","","has coordinates,has disorder","273245","2022-03-03","20:24:09",""
"4519336","18.7305","0.0007","14.4274","0.0007","17.8945","0.0007","90","","90","","90","","4835.7","0.4","150","0.1","150","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C25 H36 Fe N2 Si -","- C25 H36 Fe N2 Si -","- C200 H288 Fe8 N16 Si8 -","8","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0433","0.0419","","","0.1149","0.1161","","","","","","1.107","","","","has coordinates,has disorder","273246","2022-03-03","20:25:20",""
"4519337","19.2143","0.0004","20.1989","0.0004","9.3011","0.0002","90","","90","","90","","3609.83","0.13","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H57 B Fe N2 -","- C37 H57 B Fe N2 -","- C148 H228 B4 Fe4 N8 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0491","0.0425","","","0.1052","0.1091","","","","","","1.042","","","","has coordinates","273246","2022-03-03","20:25:21",""
"4519338","18.1664","0.0002","12.4604","0.0002","23.9387","0.0003","90","","94.823","0.001","90","","5399.59","0.13","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 B Fe N2 -","- C29 H41 B Fe N2 -","- C232 H328 B8 Fe8 N16 -","8","1","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0363","0.0329","","","0.0842","0.0865","","","","","","1.035","","","","has coordinates","273246","2022-03-03","20:25:21",""
"4519339","21.9805","0.0005","16.4818","0.0004","10.6196","0.0002","90","","90","","90","","3847.25","0.15","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H52 Fe2 N4 -","- C42 H52 Fe2 N4 -","- C168 H208 Fe8 N16 -","4","0.5","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0969","0.1002","","","","","","1.027","","","","has coordinates,has disorder","273246","2022-03-03","20:25:21",""
"4519340","10.9682","0.0001","17.6194","0.0002","18.8246","0.0002","90","","95.32","0.001","90","","3622.24","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Fe N4 -","- C42 H50 Fe N4 -","- C168 H200 Fe4 N16 -","4","1","","Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.","Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes","ACS Catalysis","2022","","","2979","2985","10.1021/acscatal.2c00224","","x-ray","1.54184","CuKα","","0.0383","0.0336","","","0.0834","0.0864","","","","","","1.025","","","","has coordinates","273247","2022-03-03","20:26:02",""
"4519341","7.6105","0.0006","8.0429","0.0007","15.2788","0.0013","90","","101.481","0.002","90","","916.51","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Fe N O6 -","- C21 H19 Fe N O6 -","- C42 H38 Fe2 N2 O12 -","2","1","","Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin","Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions","ACS Catalysis","2022","12","4","2706","2713","10.1021/acscatal.2c00001","","","0.71073","MoKα","","0.0445","0.0386","","","0.0887","0.0912","","","","","","1.059","","","","has coordinates","273248","2022-03-03","20:26:27",""
"4519342","11.5366","0.0015","9.0589","0.0008","30.02","0.003","90","","98.806","0.01","90","","3100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides","ACS Catalysis","2022","12","4","2426","2433","10.1021/acscatal.1c05738","","","0.71073","MoKα","","0.2512","0.1168","","","0.2691","0.3405","","","","","","0.956","","","","has coordinates","273249","2022-03-03","20:27:06",""
"4519343","10.276","0.002","26.264","0.005","17.399","0.004","90","","103.191","0.005","90","","4571.9","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Br Co N2 P2 -","- C55 H52 Br Co N2 P2 -","- C220 H208 Br4 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko","Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex","ACS Catalysis","2022","12","4","2320","2329","10.1021/acscatal.1c04797","","","0.71075","MoKα","","0.1115","0.0725","","","0.2048","0.2226","","","","","","1.309","","","","has coordinates,has disorder","273250","2022-03-03","20:27:34",""
"4519344","6.5842","0.0009","11.023","0.0014","8.603","0.0012","90","","101.266","0.004","90","","612.35","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D.","Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2<i>,</i>6)- and (5<i>R</i>)-Methyl-(2<i>R,</i>6<i>R</i>)-hydroxynorketamines.","ACS chemical neuroscience","2022","13","4","510","523","10.1021/acschemneuro.1c00761","","x-ray","0.71073","MoKα","","0.0298","0.027","","","0.0617","0.0638","","","","","","1.033","","","","has coordinates","273251","2022-03-03","20:31:43",""
"4519345","18.071","0.003","7.8493","0.0016","21.159","0.003","90","","101.232","0.015","90","","2943.8","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.94 H34.88 B3 Cl1.88 N2 O8 -","- C24.939 H34.878 B3 Cl1.8774 N2 O8 -","- C99.756 H139.512 B12 Cl7.5096 N8 O32 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","1.54178","CuKα","K-L~3~","0.0534","0.036","","","0.0831","0.0907","","","","","","1.03","","","","has coordinates,has disorder","273252","2022-03-03","21:08:43",""
"4519346","11.62","0.004","10.769","0.003","13.577","0.005","90","","98.985","0.011","90","","1678.1","1","100.01","","100.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.0529","0.0426","","","0.1227","0.132","","","","","","1.054","","","","has coordinates,has disorder","273253","2022-03-03","21:09:10",""
"4519347","10.6564","0.0009","7.937","0.0007","22.4894","0.0014","90","","97.249","0.004","90","","1886.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","","1.54178","CuKα","","0.035","0.0334","","","0.0865","0.0879","","","","","","1.037","","","","has coordinates","273254","2022-03-03","21:09:34",""
"4519348","5.08","0.0011","27.367","0.008","5.5795","0.0014","90","","90","","90","","775.7","0.3","100.01","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.023","0.0226","","","0.0607","0.061","","","","","","1.139","","","","has coordinates","273255","2022-03-03","21:09:56",""
"4519349","5.1098","0.0002","5.1098","0.0002","7.1704","0.0003","90","","90","","120","","162.137","0.011","398","","398","","","","","","","","Layered Double Hydroxide","4","P -3 1 m","-P 3 2","162","Lithium Aluminium Chloride Layered Double Hydroxide","","","- Al2 Cl Li O6 -","- Al2.00012 Cl Li O6.00024 -","- Al2.00012 Cl Li O6.00024 -","1","0.0833333","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.3596","1.6","","","","","","","has coordinates","273256","2022-03-03","21:10:18",""
"4519350","5.0877","0.0016","8.814","0.003","9.0504","0.001","90","","100.51","0.03","90","","399.04","0.19","453","","453","","","","","","","","Layered Double Hydroxide","4","C 1 2/m 1","-C 2y","12","Lithium Aluminium Nitrate Layered Double Hydroxide","","","- Al2 Li N O9 -","- Al2 Li N O9 -","- Al4 Li2 N2 O18 -","2","0.25","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.9546","1.8","","","","","","","has coordinates","273257","2022-03-03","21:10:40",""
"4519351","12.6185","0.0008","12.3442","0.0007","17.9746","0.001","90","","103.4","0.001","90","","2723.6","0.3","90","2","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br4 N4 -","- C32 H18 Br4 N4 -","- C128 H72 Br16 N16 -","4","1","","Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G.","Diindolylamine Preparation and Stability Investigations.","ACS omega","2022","7","6","5197","5205","10.1021/acsomega.1c06289","","","0.71073","MoKα","","0.0759","0.0416","","","0.0795","0.0895","","","","","","1.013","","","","has coordinates","273258","2022-03-03","21:11:02",""
"4519352","10.631","0.002","13.873","0.003","8.6997","0.0015","90","","90","","90","","1283.1","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham","Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.","ACS omega","2022","7","6","5217","5230","10.1021/acsomega.1c06325","","","0.71073","MoKα","","0.1173","0.0538","","","0.1133","0.1359","","","","","","1.004","","","","has coordinates","273259","2022-03-03","21:11:41",""
"4519353","6.5137","0.0014","15.684","0.003","17.611","0.004","90","","90","","90","","1799.2","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F N2 O5 -","- C15 H23 F N2 O5 -","- C60 H92 F4 N8 O20 -","4","1","","Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe","Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox.","ACS omega","2022","7","6","4868","4878","10.1021/acsomega.1c05337","","x-ray","0.71073","MoKα","","0.1659","0.0553","","","0.1275","0.1603","","","","","","0.869","","","","has coordinates","273260","2022-03-03","21:12:06",""
"4519354","5.6104","0.0007","5.738","0.001","17.8464","0.0017","91.354","0.01","92.008","0.009","92.293","0.012","573.53","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N6 O3 -","- C10 H6 N6 O3 -","- C20 H12 N12 O6 -","2","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1446","0.055","","","0.1109","0.158","","","","","","1.005","","","","has coordinates","273261","2022-03-03","21:12:29",""
"4519355","16.633","0.004","6.8163","0.0008","25.874","0.004","90","","90.625","0.017","90","","2933.3","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O2 -","- C11 H18 N6 O2 -","- C88 H144 N48 O16 -","8","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1699","0.07","","","0.1607","0.2229","","","","","","1.002","","","","has coordinates","273262","2022-03-03","21:13:05",""
"4519356","8.7961","0.0001","16.2533","0.0003","14.8259","0.0002","90","","93.4435","0.0005","90","","2115.77","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0472","0.0422","","","0.113","0.1198","","","","","","1.025","","","","has coordinates","273263","2022-03-03","21:13:27",""
"4519357","10.0432","0.0003","9.4172","0.0003","22.1188","0.0006","90","","98.0439","0.0009","90","","2071.39","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N O -","- C29 H19 N O -","- C116 H76 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0438","0.0391","","","0.1002","0.1067","","","","","","1.039","","","","has coordinates","273264","2022-03-03","21:13:51",""
"4519358","6.264","0.0002","17.8352","0.0005","15.8767","0.0004","90","","97.605","0.0011","90","","1758.14","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0594","0.0493","","","0.127","0.1359","","","","","","1.022","","","","has coordinates","273265","2022-03-03","21:14:14",""
"4519359","14.8518","0.0004","15.7023","0.0005","25.8545","0.0007","90","","90","","90","","6029.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32.25 H30.5 Cl0.5 N2 O3 -","- C32.25 H30.5 Cl0.5 N2 O3 -","- C258 H244 Cl4 N16 O24 -","8","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0823","0.0664","","","0.186","0.1995","","","","","","1.044","","","","has coordinates","273266","2022-03-03","21:14:48",""
"4519360","7.1468","0.0002","17.7533","0.0006","8.5534","0.0002","90","","103.318","0.001","90","","1056.06","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Co N2 O5 -","- C8 H10 Co N2 O5 -","- C32 H40 Co4 N8 O20 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0389","0.0281","","","0.0629","0.0693","","","","","","1.063","","","","has coordinates","273267","2022-03-03","21:15:10",""
"4519361","12.1608","0.0005","7.5544","0.0003","8.6393","0.0004","90","","90.528","0.001","90","","793.64","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N2 O4 -","- C6 H6 Co N2 O4 -","- C24 H24 Co4 N8 O16 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0306","0.0298","","","0.0817","0.0822","","","","","","1.224","","","","has coordinates","273268","2022-03-03","21:15:35",""
"4519362","10.316","0.004","7.114","0.003","9.458","0.004","90","","90","","90","","694.1","0.5","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Co N2 O8 -","- C8 H16 Co N2 O8 -","- C16 H32 Co2 N4 O16 -","2","0.25","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71076","MoKα","","0.0422","0.0357","","","0.0793","0.083","","","","","","1.196","","","","has coordinates","273269","2022-03-03","21:15:57",""
"4519363","7.4075","0.0003","14.8143","0.0006","7.7787","0.0003","90","","99.741","0.001","90","","841.3","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Co O8 -","- C4 H12 Co O8 -","- C16 H48 Co4 O32 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0283","0.0225","","","0.0557","0.0596","","","","","","1.06","","","","has coordinates","273270","2022-03-03","21:16:19",""
"4519364","12.7414","0.0005","6.7729","0.0002","13.4227","0.0004","90","","107.659","0.001","90","","1103.75","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co N2 O6 -","- C8 H12 Co N2 O6 -","- C32 H48 Co4 N8 O24 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0472","0.0294","","","0.0676","0.0772","","","","","","1.066","","","","has coordinates","273271","2022-03-03","21:16:42",""
"4519365","7.7368","0.0004","9.0843","0.0005","11.321","0.0006","90.118","0.001","99.312","0.001","97.756","0.001","777.78","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co2 N2 O10 -","- C12 H16 Co2 N2 O10 -","- C24 H32 Co4 N4 O20 -","2","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0449","0.0309","","","0.0664","0.0737","","","","","","1.054","","","","has coordinates","273272","2022-03-03","21:17:05",""
"4519366","9.335","0.0019","5.768","0.0012","8.261","0.0016","90","","103.17","0.03","90","","433.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C24 H18 N2 O2 -","2","0.5","","Kaltenegger, Martin; Delaive, Louis; Gali, Sai Manoj; Brocorens, Patrick; Werzer, Oliver; Riegler, Hans; Geerts, Yves Henri; Lazzaroni, Roberto; Resel, Roland; Liu, Jie","Molecular Packing of Phenoxazine: A Combined Single-Crystal/Crystal Structure Prediction Study","Crystal Growth & Design","2022","22","3","1548","1553","10.1021/acs.cgd.1c00691","","","0.7","synchrotron","","0.0587","0.0523","","","0.1518","0.1599","","","","","","1.072","","","","has coordinates,has disorder","273273","2022-03-03","22:09:36",""
"4519367","11.44","0.002","5.98","0.0012","12.43","0.003","90","","108.06","0.02","90","","808.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 O8 -","- C44 H40 O8 -","- C44 H40 O8 -","1","0.25","","Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A.","Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction","Crystal Growth & Design","2022","22","3","1533","1537","10.1021/acs.cgd.1c01378","","","0.97918","","","0.1971","0.1638","","","0.4169","0.4444","","","","","","1.752","","","","has coordinates","273274","2022-03-03","22:09:59",""
"4519368","10.83","0.002","5.86","0.0012","13.42","0.003","90","","108.32","0.02","90","","808.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 O8 -","- C44 H40 O8 -","- C44 H40 O8 -","1","0.25","","Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A.","Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction","Crystal Growth & Design","2022","22","3","1533","1537","10.1021/acs.cgd.1c01378","","","0.97918","","","0.2688","0.2226","","","0.5329","0.5647","","","","","","2.211","","","","has coordinates","273275","2022-03-03","22:10:16",""
"4519369","17.105","0.011","28.211","0.018","15.588","0.01","90","","90","","90","","7522","8","298","2","298","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Zr -","- C26 H20 Cu2 F6 N8 O5 Zr -","- C104 H80 Cu8 F24 N32 O20 Zr4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.1071","0.0811","","","0.2393","0.2589","","","","","","1.046","","","","has coordinates","274225","2022-04-03","18:52:53",""
"4519370","28.1998","0.0017","16.7324","0.001","15.648","0.001","90","","90","","90","","7383.5","0.8","296","2","296","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H19 Cu2 F6 N8 O5 Ti -","- C26 H20 Cu2 F6 N8 O5 Ti -","- C104 H80 Cu8 F24 N32 O20 Ti4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.055","0.0424","","","0.1451","0.1513","","","","","","1.092","","","","has coordinates","274226","2022-04-03","18:53:28",""
"4519371","28.295","0.004","16.336","","15.6802","0.0017","90","","90","","90","","7247.8","1.3","273","2","273","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Si -","- C26 H20 Cu2 F6 N8 O5 Si -","- C104 H80 Cu8 F24 N32 O20 Si4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.0934","0.0531","","","0.0941","0.0973","","","","","","1.036","","","","has coordinates","274227","2022-04-03","18:54:02",""
"4519372","38.087","0.004","38.087","0.004","16.6075","0.0018","90","","90","","90","","24091","4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H45 N4 O15 P4 U -","- C54 H45 N4 O15 P4 U -","- C864 H720 N64 O240 P64 U16 -","16","1","","Zhao, Hongxia; Qi, Chao; Yan, Xuewu; Ji, Jinyan; Chai, Zhifang; Wang, Shuao; Zheng, Tao","A Multifunctional Porous Uranyl Phosphonate Framework for Cyclic Utilization: Salvages, Uranyl Leaking Prevention, and Fluorescent Sensing.","ACS applied materials & interfaces","2022","14","12","14380","14387","10.1021/acsami.2c01671","","","0.71073","MoKα","","0.0452","0.0352","","","0.0922","0.0982","","","","","","1.074","","","","has coordinates","274228","2022-04-03","18:54:45",""
"4519373","13.832","","12.061","","17.097","","90","","90","","90","","2852.25","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N -","- C10 H22 Br2 Cu N -","- C80 H176 Br16 Cu8 N8 -","8","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","x-ray","0.71073","MoKα","","0.0976","0.0383","","","0.0592","0.0708","","","","","","1.025","","","","has coordinates","274229","2022-04-03","18:55:16",""
"4519374","9.3658","0.0009","18.3538","0.0014","13.6212","0.0012","90","","102.217","0.009","90","","2288.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 Cu P -","- C24 H20 Br2 Cu P -","- C96 H80 Br8 Cu4 P4 -","4","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","","0.71073","MoKα","","0.0793","0.0399","","","0.0662","0.0775","","","","","","1.031","","","","has coordinates","274230","2022-04-03","18:55:41",""
"4519375","7.688","","9.1076","","10.6827","","95.94","","109.12","","110.396","","642.108","","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C30 H34 N6 O2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones","ACS Catalysis","2022","","","4394","4401","10.1021/acscatal.2c00854","","","1.54187","CuKα","","0.0918","0.0841","","","0.2251","0.2565","","","","","","1.141","","","","has coordinates","274231","2022-04-03","19:17:19",""
"4519376","20.3","0.0019","10.543","0.003","15.816","0.002","90","","109.54","0.0012","90","","3190","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H36 F6 N3 P Pd S -","- C32 H36 F6 N3 P Pd S -","- C128 H144 F24 N12 P4 Pd4 S4 -","4","1","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0239","0.0238","","","0.0649","0.0649","","","","","","1.094","","","","has coordinates","274232","2022-04-03","19:18:04",""
"4519377","12.153","0.0018","28.037","0.0007","21.613","0.0007","90","","94.356","0.014","90","","7343","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H41 Cl F6 N3 P Pd S -","- C34.5 H41 Cl F6 N3 P Pd S -","- C276 H328 Cl8 F48 N24 P8 Pd8 S8 -","8","2","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0707","0.0668","","","0.2017","0.2058","","","","","","1.038","","","","has coordinates,has disorder","274233","2022-04-03","19:18:51",""
"4519378","12.9594","0.0006","9.2852","0.0005","14.7567","0.0009","90","","91.483","0.003","90","","1775.09","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Bi F3 N -","- C19 H21 Bi F3 N -","- C76 H84 Bi4 F12 N4 -","4","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0432","0.0291","","","0.0519","0.0554","","","","","","0.997","","","","has coordinates","274234","2022-04-03","19:19:17",""
"4519379","17.435","0.003","9.004","0.002","18.23","0.004","90","","90","","90","","2861.8","1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Bi F3 -","- C15 H14 Bi F3 -","- C120 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0353","0.0248","","","0.0568","0.0612","","","","","","1.051","","","","has coordinates","274235","2022-04-03","19:19:48",""
"4519380","9.7284","0.0004","9.7063","0.0004","30.3122","0.0014","90","","90","","90","","2862.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Bi F3 -","- C16 H14 Bi F3 -","- C128 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.038","0.0391","","","","","","1.151","","","","has coordinates","274236","2022-04-03","19:20:24",""
"4519381","6.1078","0.0007","23.368","0.003","12.0794","0.0013","90","","100.277","0.002","90","","1696.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71073","MoKα","","0.0668","0.0571","","","0.144","0.1485","","","","","","1.142","","","","has coordinates,has disorder","274237","2022-04-03","19:20:50",""
"4519382","10.2627","0.0002","13.449","0.0003","14.5521","0.0003","115.316","0.002","101.172","0.0017","101.362","0.0019","1690.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71075","MoKα","","0.048","0.0423","","","0.1499","0.1543","","","","","","1.267","","","","has coordinates","274238","2022-04-03","19:21:15",""
"4519383","16.5365","0.0009","15.9821","0.0006","12.9995","0.0006","90","","97.271","0.005","90","","3408","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N3 Ni O5 P -","- C33 H50 N3 Ni O5 P -","- C132 H200 N12 Ni4 O20 P4 -","4","1","","Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu","Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones","ACS Catalysis","2022","12","7","3776","3781","10.1021/acscatal.2c01053","","x-ray","1.54184","CuKα","","0.0849","0.0608","","","0.1585","0.1731","","","","","","1.075","","","","has coordinates","274239","2022-04-03","19:21:41",""
"4519384","8.7636","0.0007","13.6876","0.0012","28.412","0.002","86.489","0.003","89.678","0.003","77.831","0.003","3325.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Au F6 P Sb -","- C31 H49 Au F6 P Sb -","- C124 H196 Au4 F24 P4 Sb4 -","4","2","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0832","0.0576","","","0.1175","0.1311","","","","","","1.095","","","","has coordinates","274240","2022-04-03","19:22:08",""
"4519385","15.519","0.0007","15.638","0.0008","17.4595","0.001","68.369","0.002","80.53","0.002","65.864","0.002","3594","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H81 Au F3 N2 O P Sb0.5 -","- C63 H81 Au F3 N2 O P Sb0.5 -","- C126 H162 Au2 F6 N4 O2 P2 Sb -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0824","0.0575","","","0.1475","0.168","","","","","","1.097","","","","has coordinates,has disorder","274241","2022-04-03","19:22:40",""
"4519386","12.6694","0.0002","18.1472","0.0004","18.894","0.0004","90","","90","","90","","4344","0.15","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Au Cl P -","- C46 H67 Au Cl P -","- C184 H268 Au4 Cl4 P4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0267","0.0217","","","0.0393","0.0404","","","","","","0.862","","","","has coordinates","274242","2022-04-03","19:23:06",""
"4519387","33.253","0.003","13.3849","0.0011","26.02","0.002","90","","93.079","0.003","90","","11564.5","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 Au Cl4 F6 P Sb -","- C53 H82 Au Cl4 F6 P Sb -","- C424 H656 Au8 Cl32 F48 P8 Sb8 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0686","0.0503","","","0.1252","0.1425","","","","","","1.026","","","","has coordinates,has disorder","274243","2022-04-03","19:23:40",""
"4519388","13.714","0.005","51.58","0.02","18.755","0.009","90","","99.2","0.018","90","","13096","9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H159 Au2 F12 P2 Sb2 -","- C126 H162 Au2 F12 P2 Sb2 -","- C504 H648 Au8 F48 P8 Sb8 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1146","0.0964","","","0.2154","0.2302","","","","","","1.007","","","","has coordinates,has disorder","274244","2022-04-03","19:24:23",""
"4519389","54.233","0.008","14.371","0.002","32.268","0.005","90","","102.216","0.009","90","","24580","6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H165 Au3 Cl3 P3 -","- C120 H165 Au3 Cl3 P3 -","- C960 H1320 Au24 Cl24 P24 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1113","0.0604","","","0.1473","0.179","","","","","","1.057","","","","has coordinates","274245","2022-04-03","19:25:09",""
"4519390","11.3949","0.0008","16.7262","0.0009","18.567","0.0012","90","","104.78","0.003","90","","3421.7","0.4","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Au F6 P Sb -","- C32 H39 Au F6 P Sb -","- C128 H156 Au4 F24 P4 Sb4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0662","0.0385","","","0.0782","0.0921","","","","","","1.032","","","","has coordinates","274246","2022-04-03","19:25:38",""
"4519391","15.3509","0.0009","15.473","0.0009","19.0096","0.001","95.2651","0.0017","103.141","0.0017","117.913","0.0018","3781","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 Au F6 N P Sb -","- C66 H90 Au F6 N P Sb -","- C132 H180 Au2 F12 N2 P2 Sb2 -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0574","0.0366","","","0.0815","0.0922","","","","","","1.04","","","","has coordinates,has disorder","274247","2022-04-03","19:26:06",""
"4519392","10.7552","0.0003","11.5789","0.0003","21.0514","0.0005","103.464","0.001","93.118","0.001","103.01","0.001","2468.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 Cl2 Co N4 O2 Zn -","- C53 H59 Cl2 Co N4 O2 Zn -","- C106 H118 Cl4 Co2 N8 O4 Zn2 -","2","1","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0404","0.0376","","","0.0964","0.0984","","","","","","1.038","","","","has coordinates","274248","2022-04-03","19:26:39",""
"4519393","9.1508","0.0003","10.8692","0.0004","14.2352","0.0005","80.73","0.001","73.248","0.001","67.252","0.001","1248.34","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","1","0.5","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0283","0.027","","","0.0672","0.0681","","","","","","1.043","","","","has coordinates,has disorder","274249","2022-04-03","19:26:59",""
"4519394","8.5453","0.0003","22.0815","0.0007","24.6638","0.0008","90","","97.013","0.001","90","","4619.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 B Cl2 F4 N -","- C60 H40 B Cl2 F4 N -","- C240 H160 B4 Cl8 F16 N4 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0436","0.0431","","","0.1074","0.1078","","","","","","1.035","","","","has coordinates","274250","2022-04-03","20:08:28",""
"4519395","11.0371","0.0006","13.4132","0.0007","15.606","0.0009","70.893","0.002","73.798","0.002","74.546","0.002","2057","0.2","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C51 H45 N Si2 -","- C51 H45 N Si2 -","- C102 H90 N2 Si4 -","2","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0414","0.036","","","0.0918","0.0952","","","","","","1.019","","","","has coordinates","274251","2022-04-03","20:08:54",""
"4519396","8.2706","0.0003","34.0842","0.0013","15.5666","0.0005","90","","94.273","0.002","90","","4376","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl2 N Si2 -","- C52 H47 Cl2 N Si2 -","- C208 H188 Cl8 N4 Si8 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0692","0.0591","","","0.1406","0.1454","","","","","","1.12","","","","has coordinates","274252","2022-04-03","20:09:20",""
"4519397","15.5106","0.0007","4.9274","0.0002","18.1757","0.0009","90","","99.752","0.007","90","","1369.04","0.11","138","2","138","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenylbenzo[4,5]pentaleno[1,2-c]thiophene","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor","Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis.","ACS omega","2022","7","10","8336","8349","10.1021/acsomega.1c05618","","","0.71075","MoKα","","0.0639","0.058","","","0.1243","0.1272","","","","","","1.168","","","","has coordinates,has disorder","274253","2022-04-03","20:09:45",""
"4519398","44.87","0.02","8.909","0.004","14.807","0.007","90","","90.851","0.009","90","","5918","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co2 N2 O12 S -","- C27 H20 Co2 N2 O12 S -","- C216 H160 Co16 N16 O96 S8 -","8","1","","Rothman, Jeffrey H.","Synthesis of Endocyclic Cycloalkyne Amino Acids.","ACS omega","2022","7","10","9053","9060","10.1021/acsomega.2c00270","","","0.71073","MoKα","","0.0824","0.0567","","","0.1403","0.1608","","","","","","1.053","","","","has coordinates","274254","2022-04-03","20:10:13",""
"4519399","9.2143","0.0002","12.7406","0.0003","12.62","0.0003","85.167","0.001","73.242","0.001","71.786","0.001","1347.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","1","0.5","","Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.","Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.","ACS omega","2022","7","10","8988","8994","10.1021/acsomega.2c00109","","","1.54178","CuKα","","0.0675","0.0528","","","0.1536","0.1666","","","","","","1.086","","","","has coordinates,has disorder","274255","2022-04-03","20:10:33",""
"4519400","9.5087","0.0001","7.8793","0.0001","18.5965","0.0002","90","","91.407","0.001","90","","1392.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N O14 -","- C23 H39 N O14 -","- C46 H78 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0476","0.0452","","","0.1239","0.1282","","","","","","1.064","","","","has coordinates,has disorder","274257","2022-04-03","20:10:54",""
"4519401","9.41201","0.00005","7.9414","0.00005","19.98256","0.00011","90","","97.5366","0.0005","90","","1480.68","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O14 -","- C25 H43 N O14 -","- C50 H86 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0328","0.0326","","","0.0913","0.0916","","","","","","1.038","","","","has coordinates","274258","2022-04-03","20:11:16",""
"4519402","9.41164","0.00019","7.95651","0.00014","20.651","0.0004","90","","100.299","0.0017","90","","1521.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N O14 -","- C26 H45 N O14 -","- C52 H90 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","x-ray","1.54184","CuKα","","0.0558","0.0541","","","0.1541","0.1574","","","","","","1.132","","","","has coordinates,has disorder","274259","2022-04-03","20:11:38",""
"4519403","14.3012","0.0012","8.9089","0.0008","16.767","0.0014","90","","96.005","0.001","90","","2124.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C49 H36 Au2 P2 S4 -","- C49 H36 Au2 P2 S4 -","- C98 H72 Au4 P4 S8 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.013","0.0125","","","0.0272","0.0273","","","","","","0.735","","","","has coordinates","274260","2022-04-03","20:12:02",""
"4519404","16.0501","0.0002","17.0934","0.0002","20.701","0.0003","91.582","0.001","108.552","0.001","96.765","0.001","5333.93","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H87 Au4 Cl8 P4 S8 -","- C108 H87 Au4 Cl8 P4 S8 -","- C216 H174 Au8 Cl16 P8 S16 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0728","0.0675","","","0.1912","0.1961","","","","","","1.04","","","","has coordinates","274261","2022-04-03","20:12:29",""
"4519405","18.48","0.0004","16.1182","0.0003","33.0678","0.0006","90","","90","","90","","9849.7","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C111 H98 Au4 O3 P4 S8 -","- C111 H98 Au4 O3 P4 S8 -","- C444 H392 Au16 O12 P16 S32 -","4","0.5","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0354","0.0302","","","0.0755","0.0779","","","","","","1.06","","","","has coordinates","274262","2022-04-03","20:12:55",""
"4519406","12.3768","0.0001","16.5846","0.0002","21.3999","0.0002","90","","101.368","0.001","90","","4306.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Au2 P2 S4 -","- C50 H38 Au2 P2 S4 -","- C200 H152 Au8 P8 S16 -","4","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0289","0.0255","","","0.0619","0.0633","","","","","","1.038","","","","has coordinates","274263","2022-04-03","20:13:20",""
"4519407","21.019","0.0018","7.8788","0.0007","46.469","0.004","90","","97.275","0.001","90","","7633.5","1.1","73","","73","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C408 H240 S48 -","12","3","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.0811","0.0473","","","0.0949","0.1048","","","","","","1.01","","","","has coordinates","274264","2022-04-03","20:13:46",""
"4519408","10.2644","0.001","15.054","0.0009","10.2555","0.001","90","","119.67","0.007","90","","1376.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N6 Si2 -","- C24.004 H48.008 N6.001 Si1.9966 -","- C48.008 H96.016 N12.002 Si3.9932 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0678","0.0495","","","0.1349","0.1452","","","","","","1.049","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519409","10.0211","0.0005","17.9266","0.0008","15.5703","0.0008","90","","103.901","0.004","90","","2715.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N6 Si2 -","- C24 H48 N6 Si2 -","- C96 H192 N24 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0672","0.0453","","","0.1176","0.1313","","","","","","1.086","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519410","10.2419","0.0007","11.9781","0.0008","13.8119","0.0008","72.61","0.005","89.884","0.005","68.752","0.005","1496.25","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 N4 O9 Si2 -","- C22 H46 N4 O9 Si2 -","- C44 H92 N8 O18 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0447","0.0371","","","0.099","0.1035","","","","","","1.054","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519411","18.6575","0.0005","6.3147","0.0001","16.0768","0.0004","90","","96.139","0.002","90","","1883.25","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N2 O4 Si2 -","- C14 H28 N2 O4 Si2 -","- C56 H112 N8 O16 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0475","0.0374","","","0.0914","0.0963","","","","","","1.103","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519412","9.773","0.0003","11.6396","0.0003","16.0521","0.0005","86.509","0.002","75.909","0.002","86.201","0.002","1765.26","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl6 N4 O8 Si2 -","- C23.999 H39.999 Cl5.997 N4 O8 Si2 -","- C47.998 H79.998 Cl11.994 N8 O16 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0449","0.0368","","","0.0909","0.0949","","","","","","1.063","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519413","7.6684","0.0009","8.5044","0.0009","8.923","0.001","67.142","0.008","66.196","0.008","88.7","0.009","484.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","1","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0327","0.0291","","","0.0773","0.0801","","","","","","1.064","","","","has coordinates","274265","2022-04-03","20:15:22",""
"4519414","9.3555","0.0006","19.1906","0.0008","10.8119","0.0006","90","","91.602","0.005","90","","1940.38","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl6 N4 O8 Si2 -","- C28 H48 Cl6 N4 O8 Si2 -","- C56 H96 Cl12 N8 O16 Si4 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0455","0.0336","","","0.0826","0.0893","","","","","","1.072","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519415","26.638","0.003","13.754","0.002","7.5085","0.0009","90","","90","","90","","2751","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C15 H12 F3 N O2 -","- C15 H12 F2.994 N O2 -","- C120 H96 F23.952 N8 O16 -","8","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0572","0.0387","","","0.076","0.0842","","","","","","1.016","","","","has coordinates,has disorder","274266","2022-04-03","20:16:22",""
"4519416","7.1922","0.0018","7.5334","0.0016","12.289","0.003","90","","100.816","0.011","90","","654","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0802","0.0449","","","0.0979","0.1139","","","","","","1.001","","","","has coordinates","274267","2022-04-03","20:16:46",""
"4519417","7.6501","0.0006","12.0632","0.001","13.6914","0.0016","90","","90","","90","","1263.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0635","0.0395","","","0.0779","0.0849","","","","","","0.968","","","","has coordinates","274268","2022-04-03","20:17:07",""
"4519418","5.731","0.0002","12.9388","0.0008","18.826","0.001","90","","90","","90","","1395.99","0.12","296","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0579","0.0369","","","0.0867","0.0959","","","","","","0.947","","","","has coordinates","274269","2022-04-03","20:17:42",""
"4519419","8.6522","0.0008","32.232","0.003","14.3606","0.0013","90","","97.169","0.002","90","","3973.5","0.6","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1212","0.0595","","","0.1271","0.1415","","","","","","1.013","","","","has coordinates","274270","2022-04-03","20:18:04",""
"4519420","8.8899","0.0003","9.4022","0.0003","20.6943","0.0007","90","","100.172","0.001","90","","1702.54","0.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0513","0.0403","","","0.1071","0.1129","","","","","","1.037","","","","has coordinates","274271","2022-04-03","20:18:37",""
"4519421","21.798","0.003","8.9774","0.0016","9.6932","0.0018","90","","90","","90","","1896.9","0.6","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","(2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","0.5","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0713","0.0457","","","0.0995","0.1087","","","","","","1.032","","","","has coordinates","274272","2022-04-03","20:19:03",""
"4519422","9.2176","0.0011","22.382","0.003","18.333","0.002","90","","103.619","0.002","90","","3675.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E,6E)-2,6-bis[4-(methylthio)benzylidene]cyclohexanone","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C176 H176 O8 S16 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1898","0.1075","","","0.296","0.324","","","","","","1.062","","","","has coordinates","274273","2022-04-03","20:19:31",""
"4519423","9.4669","0.0003","18.2488","0.0007","9.3371","0.0003","90","","115.269","0.001","90","","1458.72","0.09","170.15","","170.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0483","0.0403","","","0.1082","0.1122","","","","","","1.061","","","","has coordinates","274274","2022-04-03","20:19:52",""
"4519424","8.4851","0.0005","8.4851","0.0005","8.4851","0.0005","90","","90","","90","","610.9","0.06","650","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","gamma-Na4P2S6","","","- Na4 P2 S6 -","- Na3 P2 S6 -","- Na6 P4 S12 -","2","0.0208333","","Scholz, Tanja; Schneider, Christian; Terban, Maxwell W.; Deng, Zeyu; Eger, Roland; Etter, Martin; Dinnebier, Robert E.; Canepa, Pieremanuele; Lotsch, Bettina V.","Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6","ACS Energy Letters","2022","","","1403","1411","10.1021/acsenergylett.1c02815","","","","","","","","","","","","","","","","","","","","","has coordinates","274275","2022-04-03","20:25:13",""
"4519425","3.6294","0.0006","8.1444","0.0013","9.4044","0.0016","90","","97.981","0.006","90","","275.29","0.08","273","2","273","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H3 Na O5 -","- C4 H3 Na O5 -","- C8 H6 Na2 O10 -","2","1","","Zhang, Xiaodong; Cao, Dongxu; Yang, Daqing; Wang, Ying; Wu, Kui; Lee, Ming-Hsien; Zhang, Bingbing","Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence","ACS Materials Letters","2022","","","572","576","10.1021/acsmaterialslett.2c00114","","","0.71073","MoKα","","0.0216","0.0209","","","0.055","0.0557","","","","","","1.06","","","","has coordinates","274276","2022-04-03","20:34:42",""
"4519426","8.6432","0.0004","11.0448","0.0005","11.1069","0.0004","62.407","0.004","72.632","0.004","84.054","0.004","896.1","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H15 N O4 -","- C25 H15 N O4 -","- C50 H30 N2 O8 -","2","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes","ACS Sustainable Chemistry & Engineering","2022","10","10","3288","3294","10.1021/acssuschemeng.1c07933","","","1.54178","CuKα","","0.0437","0.0417","","","0.1292","0.132","","","","","","1.008","","","","has coordinates","274277","2022-04-03","21:04:16",""
"4519427","28.0367","0.0016","7.5296","0.0004","17.7558","0.001","90","","113.99","0.003","90","","3424.5","0.3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H64 N O8.5 -","- C34 H64 N O8.5 -","- C136 H256 N4 O34 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0651","0.0563","","","0.1396","0.1461","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","274927","2022-05-05","16:28:17",""
"4519428","13.9188","0.0002","7.9078","0.0001","14.5323","0.0002","90","","110.581","0.001","90","","1497.44","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H57 N O6 -","- C30 H57 N O6 -","- C60 H114 N2 O12 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0295","0.0288","","","0.0776","0.0783","","","","","","1.027","","","","has coordinates,has Fobs","274928","2022-05-05","16:28:33",""
"4519429","13.6675","0.0003","7.5914","0.0002","16.113","0.0003","90","","97.613","0.001","90","","1657.08","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H63 N O7 -","- C32 H63 N O7 -","- C64 H126 N2 O14 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0808","0.0802","","","0.223","0.2235","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","274929","2022-05-05","16:28:52",""
"4519430","10.2444","0.0002","7.6716","0.0002","18.0614","0.0004","90","","90.471","0.001","90","","1419.41","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O4 -","- C30 H53 N O4 -","- C60 H106 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0359","0.0344","","","0.0872","0.0883","","","","","","1.052","","","","has coordinates,has Fobs","274930","2022-05-05","16:29:03",""
"4519431","11.8383","0.0002","7.727","0.0001","17.0565","0.0003","90","","104.126","0.001","90","","1513.06","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0298","0.0291","","","0.0758","0.0765","","","","","","1.045","","","","has coordinates,has Fobs","274931","2022-05-05","16:29:15",""
"4519432","7.573","0.0003","11.0104","0.0004","36.2681","0.0014","90","","90","","90","","3024.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H59 N O6 -","- C30 H59 N O6 -","- C120 H236 N4 O24 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0374","0.036","","","0.0953","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","274932","2022-05-05","16:29:28",""
"4519433","12.9687","0.0014","6.8993","0.0007","14.8695","0.0015","90","","106.707","0.006","90","","1274.3","0.2","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.34139","GaKα","","0.1342","0.0748","","","0.1912","0.2374","","","","","","1.004","","","","has coordinates,has Fobs","274933","2022-05-05","16:39:22",""
"4519434","9.8247","0.0008","7.5533","0.0007","17.2646","0.0012","90","","96.125","0.005","90","","1273.87","0.18","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C54 H98 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0868","0.0586","","","0.1314","0.1487","","","","","","1.055","","","","has coordinates,has Fobs","274934","2022-05-05","16:39:33",""
"4519435","17.4712","0.0005","11.0286","0.0003","17.8449","0.0005","90","","111.32","0.001","90","","3203.1","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 Co N22 O8 -","- C22 H22 Cl2 Co N22 O8 -","- C88 H88 Cl8 Co4 N88 O32 -","4","1","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0437","0.0396","","","0.1027","0.1064","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","280036","2022-12-24","20:12:02",""
"4519436","18.678","0.0008","10.7344","0.0004","16.0745","0.0007","90","","98.829","0.001","90","","3184.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl2 N22 Ni O8 -","- C22 H22 Cl2 N22 Ni O8 -","- C88 H88 Cl8 N88 Ni4 O32 -","4","0.5","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0488","0.0487","","","0.1266","0.1268","","","","","","1.105","","","","has coordinates,has Fobs","280037","2022-12-24","20:12:15",""
"4519447","5.1227","","5.1227","","17.2957","","90","","90","","120","","393.067","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Radium Magnesium Carbonate","","- C2 Mg O6 Ra -","- C2 Mg O6 Ra -","- C6 Mg3 O18 Ra3 -","3","0.0833333","","Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio","New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations","ACS Earth and Space Chemistry","2022","6","10","2360","2367","10.1021/acsearthspacechem.2c00100","","","","","","","","","","","","","","","","","","","","","has coordinates","282351","2023-04-04","13:22:14",""
"7061065","13.578","0.004","11.198","0.003","15.831","0.005","90","","94.443","0.004","90","","2399.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","1","","Hazarika, Hemanta; Chutia, Kangkana; Das, Babulal; Gogoi, Pranjal","One-pot synthesis of 3-substituted-3-hydroxyindolin-2-ones: three component coupling of N-protected isatin, aryne precursor and 1,3-cyclodione under metal-free conditions","New Journal of Chemistry","2022","46","1","86","96","10.1039/D1NJ04295E","","","0.71073","MoKα","","0.0767","0.0534","","","0.1358","0.1561","","","","","","1.045","","","","has coordinates","272710","2022-02-04","19:52:52",""
"7061067","9.7391","0.0008","25.2387","0.0019","11.2459","0.0009","90","","93.42","0.002","90","","2759.3","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32.5 N4 O5.25 -","- C30 H32.5 N4 O5.25 -","- C120 H130 N16 O21 -","4","1","","Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T.","Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments","New Journal of Chemistry","2022","46","2","621","631","10.1039/D1NJ03726A","","","0.71073","MoKα","","0.1344","0.0647","","","0.1319","0.1593","","","","","","1.016","","","","has coordinates,has disorder","272731","2022-02-04","19:56:01",""
"7061068","28.162","0.009","22.226","0.007","28.39","0.008","90","","90.21","0.03","90","","17770","9","273.15","","273.15","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C114 H108 Al Cl4 N64 O53 -","- C114 H108 Al Cl4 N64 O53 -","- C456 H432 Al4 Cl16 N256 O212 -","4","0.5","","Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun","Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe","New Journal of Chemistry","2022","46","1","97","102","10.1039/D1NJ04782E","","x-ray","0.71073","MoKα","","0.1835","0.1225","","","0.381","0.4208","","","","","","1.421","","","","has coordinates","272711","2022-02-04","19:53:00",""
"7061080","11.815","0.0006","11.9686","0.0006","12.7177","0.0007","67.247","0.005","78.484","0.005","85.626","0.004","1625.06","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H35 O6 Sn -","- C38 H35 O6 Sn -","- C76 H70 O12 Sn2 -","2","1","","Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena","Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system","New Journal of Chemistry","2022","46","1","148","161","10.1039/D1NJ04612H","","x-ray","0.71073","MoKα","","0.0659","0.0501","","","0.1298","0.1421","","","","","","1.047","","","","has coordinates,has disorder","272709","2022-02-04","19:52:46",""
"7061081","8.2279","0.0002","12.1695","0.0002","18.0429","0.0004","85.696","0.002","89.597","0.002","75.392","0.002","1743.16","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 O6 Sn -","- C40 H40 O6 Sn -","- C80 H80 O12 Sn2 -","2","1","","Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena","Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system","New Journal of Chemistry","2022","46","1","148","161","10.1039/D1NJ04612H","","x-ray","0.71073","MoKα","","0.0775","0.0659","","","0.1742","0.1874","","","","","","1.014","","","","has coordinates","272709","2022-02-04","19:52:46",""
"7061082","8.2415","0.0002","12.1785","0.0004","18.0555","0.0008","85.719","0.003","89.598","0.003","75.364","0.002","1748.39","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 O6 Sn -","- C40 H40 O6 Sn -","- C80 H80 O12 Sn2 -","2","1","","Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena","Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system","New Journal of Chemistry","2022","46","1","148","161","10.1039/D1NJ04612H","","","0.71073","MoKα","","0.1272","0.0966","","","0.2725","0.2999","","","","","","1.045","","","","has coordinates","272709","2022-02-04","19:52:46",""
"7061083","11.5018","0.0003","14.9532","0.0003","17.597","0.0005","90","","99.344","0.002","90","","2986.33","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O6 Sn -","- C34 H28 O6 Sn -","- C136 H112 O24 Sn4 -","4","1","","Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena","Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system","New Journal of Chemistry","2022","46","1","148","161","10.1039/D1NJ04612H","","x-ray","0.71073","MoKα","","0.0621","0.0489","","","0.1458","0.1565","","","","","","1.075","","","","has coordinates","272709","2022-02-04","19:52:46",""
"7061084","9.466","0.0002","16.2902","0.0004","19.8338","0.0004","90","","98.453","0.002","90","","3025.21","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 O8 Sn -","- C34 H32 O8 Sn -","- C136 H128 O32 Sn4 -","4","1","","Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena","Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system","New Journal of Chemistry","2022","46","1","148","161","10.1039/D1NJ04612H","","x-ray","0.71073","MoKα","","0.0823","0.0491","","","0.112","0.1291","","","","","","1.055","","","","has coordinates","272709","2022-02-04","19:52:46",""
"7061088","10.1274","0.0013","10.9703","0.0014","11.701","0.0015","105.831","0.002","108.602","0.002","98.017","0.002","1148.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Br N2 O6 -","- C24 H27 Br N2 O6 -","- C48 H54 Br2 N4 O12 -","2","1","","Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu","A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines","New Journal of Chemistry","2022","46","2","592","598","10.1039/D1NJ04233E","","","0.71073","MoKα","","0.0378","0.0293","","","0.0766","0.0803","","","","","","1.041","","","","has coordinates","272732","2022-02-04","19:56:08",""
"7061089","9.569","0.0017","10.7671","0.0018","14.771","0.003","95.207","0.003","105.767","0.003","94.81","0.003","1449.2","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu","A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines","New Journal of Chemistry","2022","46","2","592","598","10.1039/D1NJ04233E","","","0.71073","MoKα","","0.1061","0.0555","","","0.1457","0.1667","","","","","","0.899","","","","has coordinates","272732","2022-02-04","19:56:08",""
"7061090","8.1765","0.0012","11.7233","0.0018","14.474","0.002","103.629","0.002","93.336","0.002","100.024","0.002","1320.6","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N2 O6 -","- C28 H33 N2 O6 -","- C56 H66 N4 O12 -","2","1","","Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu","A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines","New Journal of Chemistry","2022","46","2","592","598","10.1039/D1NJ04233E","","","0.71073","MoKα","","0.0699","0.0495","","","0.132","0.1429","","","","","","0.926","","","","has coordinates","272732","2022-02-04","19:56:08",""
"7061091","10.9662","0.0003","11.3253","0.0004","14.7907","0.0004","90","","100.286","0.003","90","","1807.42","0.1","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations","New Journal of Chemistry","2022","46","2","832","843","10.1039/D1NJ04852J","","","0.71073","MoKα","","0.0579","0.045","","","0.1083","0.1233","","","","","","1.0033","","","","has coordinates","272734","2022-02-04","19:56:20",""
"7061092","8.4373","0.0008","9.6672","0.0009","12.6725","0.0019","107.092","0.011","95.785","0.01","90.443","0.008","982.2","0.2","150","0.3","150","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 O2 P S2 Tl -","- C18 H22 O2 P S2 Tl -","- C36 H44 O4 P2 S4 Tl2 -","2","1","","Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations","New Journal of Chemistry","2022","46","2","832","843","10.1039/D1NJ04852J","","x-ray","0.71073","MoKα","","0.1039","0.0893","","","0.2072","0.2222","","","","","","1.051","","","","has coordinates","272734","2022-02-04","19:56:20",""
"7061093","9.7483","0.0001","11.0899","0.0002","13.2845","0.0001","94.979","0.001","109.185","0.001","114.518","0.001","1191.75","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Br N3 S2 -","- C29 H18 Br N3 S2 -","- C58 H36 Br2 N6 S4 -","2","1","","Chernick, Erin T.; Abdollahi, Maryam F.; Tabasi, Zahra A.; Junge, Marc J.; Zhao, Yuming","Study of a carbazole–bromobenzothiadiazole derived fluorescent molecular rotor: crystal structure, redox activity, and solvatofluorochromic effects","New Journal of Chemistry","2022","46","2","572","581","10.1039/D1NJ04274B","","x-ray","1.54184","CuKα","","0.0523","0.046","","","0.1191","0.1241","","","","","","1.078","","","","has coordinates","272733","2022-02-04","19:56:13",""
"7061094","10.1489","0.0004","12.9048","0.0004","19.8932","0.0008","90","","90","","90","","2605.4","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl N3 P -","- C25 H31 Cl N3 P -","- C100 H124 Cl4 N12 P4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0257","0.0242","","","0.059","0.0599","","","","","","1.063","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061095","12.9302","0.0005","18.6083","0.0008","22.9758","0.001","90","","92.54","0.002","90","","5522.8","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 B2 Cl2 F8 N6 P2 Pd -","- C52 H64 B2 Cl2 F8 N6 P2 Pd -","- C208 H256 B8 Cl8 F32 N24 P8 Pd4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0307","0.0257","","","0.0596","0.0624","","","","","","1.069","","","","has coordinates,has disorder","272748","2022-02-04","19:58:39",""
"7061096","21.5183","0.0008","14.4903","0.0005","19.5743","0.0008","90","","115.795","0.001","90","","5495.2","0.4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H68 Cl4 N6 O P2 Pd -","- C53 H68 Cl4 N6 O P2 Pd -","- C212 H272 Cl16 N24 O4 P8 Pd4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0382","0.0284","","","0.062","0.0652","","","","","","1.052","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061097","8.573","0.0005","32.934","0.002","21.093","0.0014","90","","96.416","0.003","90","","5918.2","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl2 N3 O P Pd -","- C28 H36 Cl2 N3 O P Pd -","- C224 H288 Cl16 N24 O8 P8 Pd8 -","8","2","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0296","0.0224","","","0.0491","0.0518","","","","","","1.034","","","","has coordinates,has disorder","272748","2022-02-04","19:58:39",""
"7061098","14.1735","0.0004","9.6026","0.0003","17.3982","0.0005","90","","96.21","0.001","90","","2354.04","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N3 P Se -","- C25 H30 N3 P Se -","- C100 H120 N12 P4 Se4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0295","0.0274","","","0.0672","0.0682","","","","","","1.079","","","","has coordinates,has disorder","272748","2022-02-04","19:58:39",""
"7061099","13.5803","0.0002","10.3485","0.0002","21.273","0.0004","90","","96.195","0.001","90","","2972.16","0.09","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl2 N3 O P Pt S -","- C27 H36 Cl2 N3 O P Pt S -","- C108 H144 Cl8 N12 O4 P4 Pt4 S4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0265","0.0203","","","0.0424","0.0437","","","","","","1.053","","","","has coordinates,has disorder","272748","2022-02-04","19:58:39",""
"7061100","25.1425","0.0013","25.1425","0.0013","8.4349","0.0004","90","","90","","90","","5332.1","0.5","120","2","120","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C25.4 H30.8 Cl2.8 N3 P Pt -","- C25 H30 Cl2 N3 P Pt -","- C200 H240 Cl16 N24 P8 Pt8 -","8","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0347","0.0328","","","0.0719","0.0725","","","","","","1.289","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061101","11.1802","0.0002","13.5729","0.0002","33.3512","0.0007","90","","90","","90","","5060.97","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Cl N3 P Se -","- C25 H31 Cl N3 P Se -","- C200 H248 Cl8 N24 P8 Se8 -","8","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0314","0.025","","","0.0596","0.0624","","","","","","1.023","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061102","9.3439","0.0004","10.3772","0.0004","16.5278","0.0007","91.699","0.001","97.475","0.001","110.848","0.001","1479.94","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl3 N4 P Pd -","- C27 H34 Cl3 N4 P Pd -","- C54 H68 Cl6 N8 P2 Pd2 -","2","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0158","0.0156","","","0.0404","0.0405","","","","","","1.073","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061103","10.7829","0.0005","27.7176","0.0016","13.6704","0.0007","90","","94.11","0.002","90","","4075.2","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Cl2 N3 O2 P Pt -","- C39 H54 Cl2 N3 O2 P Pt -","- C156 H216 Cl8 N12 O8 P4 Pt4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0319","0.0233","","","0.051","0.0536","","","","","","1.051","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061104","8.6425","0.0006","13.5124","0.0007","24.174","0.0015","90","","97.545","0.002","90","","2798.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl N3 P Pd -","- C28 H35 Cl N3 P Pd -","- C112 H140 Cl4 N12 P4 Pd4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0273","0.0228","","","0.0504","0.0519","","","","","","1.055","","","","has coordinates,has disorder","272748","2022-02-04","19:58:39",""
"7061105","36.4315","0.0017","7.1569","0.0003","6.7041","0.0003","90","","92.239","0.002","90","","1746.67","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z,2'Z)-2,2'-(1,4-phenylene)bis(3-(4-(octyloxy)phenyl)acrylonitrile)","","- C40 H48 N2 O2 -","- C40 H48 N2 O2 -","- C80 H96 N4 O4 -","2","0.5","","Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji","Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching","New Journal of Chemistry","2022","46","3","1339","1346","10.1039/D1NJ04489C","","","0.71073","MoKα","","0.1053","0.065","","","0.1619","0.184","","","","","","1.064","","","","has coordinates","272740","2022-02-04","19:56:54",""
"7061106","8.3073","0.0003","14.2311","0.0005","15.9393","0.0006","65.653","0.002","85.245","0.002","78.854","0.002","1684.4","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N2 O2 -","- C40 H48 N2 O2 -","- C80 H96 N4 O4 -","2","1","","Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji","Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching","New Journal of Chemistry","2022","46","3","1339","1346","10.1039/D1NJ04489C","","","0.71073","MoKα","","0.0804","0.0522","","","0.1189","0.141","","","","","","1.089","","","","has coordinates,has disorder","272740","2022-02-04","19:56:54",""
"7061107","6.9341","0.0003","6.9886","0.0003","18.4291","0.001","94.532","0.002","93.486","0.002","103.581","0.001","862.48","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Cyanostilbene","","","- C40 H48 N2 O2 -","- C40 H48 N2 O2 -","- C40 H48 N2 O2 -","1","0.5","","Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji","Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching","New Journal of Chemistry","2022","46","3","1339","1346","10.1039/D1NJ04489C","","","0.71073","MoKα","","0.0996","0.065","","","0.1462","0.1614","","","","","","1.085","","","","has coordinates","272740","2022-02-04","19:56:54",""
"7061108","9.684","","7.971","","10.899","","90","","108.39","","90","","798.342","","290","","290","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C34 H42 N6 O4 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.115","0.0568","","","0.1202","0.1419","","","","","","1","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061109","6.713","0.0005","18.2866","0.0015","13.4679","0.0011","90","","92.78","0.003","90","","1651.3","0.2","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0904","0.0725","","","0.1973","0.2115","","","","","","1.091","","","","has coordinates,has disorder","272746","2022-02-04","19:58:11",""
"7061110","8.1311","0.0003","18.283","0.0006","14.9298","0.0005","90","","101.015","0.001","90","","2178.59","0.13","290","","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cs N3 O5 -","- C20 H26 Cs N3 O5 -","- C80 H104 Cs4 N12 O20 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0447","0.0385","","","0.0802","0.084","","","","","","1.113","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061111","11.3849","0.0004","9.9562","0.0004","13.2945","0.0005","90","","101.34","0.001","90","","1477.52","0.1","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0556","0.0475","","","0.1218","0.1294","","","","","","1.065","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061112","11.8674","0.0008","12.8807","0.0008","16.3307","0.0011","90","","92.978","0.002","90","","2492.9","0.3","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cs N3 O7 -","- C22 H32 Cs N3 O7 -","- C88 H128 Cs4 N12 O28 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0458","0.0383","","","0.1034","0.1106","","","","","","1.064","","","","has coordinates,has disorder","272746","2022-02-04","19:58:11",""
"7061113","9.9053","0.0005","11.6377","0.0006","15.0249","0.0006","86.844","0.004","89.823","0.004","69.381","0.005","1618.34","0.14","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N7 O4 -","- C34 H41 N7 O4 -","- C68 H82 N14 O8 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","x-ray","0.71073","MoKα","","0.1149","0.0626","","","0.1671","0.1781","","","","","","0.93","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061114","48.4669","0.001","32.265","0.0005","4.4093","0.0001","90","","90","","90","","6895.2","0.2","290","","290","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C13 H10 Cl Cs N2 O5 -","- C13 H10 Cl Cs N2 O5 -","- C208 H160 Cl16 Cs16 N32 O80 -","16","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0324","0.0308","","","0.0724","0.0738","","","","","","1.136","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061115","13.0544","0.0006","13.0083","0.0006","11.711","0.0005","90","","104.353","0.001","90","","1926.64","0.15","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 O2 -","- C22 H24 N4 O2 -","- C88 H96 N16 O8 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0867","0.0502","","","0.1056","0.1226","","","","","","1.058","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061116","6.7988","0.0008","18.792","0.002","13.5975","0.0016","90","","94.066","0.004","90","","1732.9","0.3","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0791","0.066","","","0.1609","0.172","","","","","","1.028","","","","has coordinates,has disorder","272746","2022-02-04","19:58:11",""
"7061117","7.6127","0.001","11.657","0.0011","15.4167","0.0019","101.296","0.004","103.003","0.003","105.412","0.004","1236.6","0.3","290","","290","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H26 Cs N3 O8 S -","- C17 H26 Cs N3 O8 S -","- C34 H52 Cs2 N6 O16 S2 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0292","0.0268","","","0.0675","0.0703","","","","","","1.066","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061118","9.4773","0.0002","7.8846","0.0002","20.2726","0.0005","90","","95.646","0.002","90","","1507.52","0.06","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","x-ray","0.71073","MoKα","","0.1196","0.0661","","","0.1706","0.207","","","","","","1.023","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061119","9.6424","0.0005","8.0087","0.0003","10.9078","0.0005","90","","109.047","0.002","90","","796.22","0.06","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O2 S -","- C16 H19 N3 O2 S -","- C32 H38 N6 O4 S2 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0659","0.055","","","0.1151","0.1197","","","","","","1.139","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061120","9.5466","0.0008","11.0591","0.0011","14.5749","0.0014","72.225","0.003","80.49","0.002","70.549","0.002","1378.2","0.2","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cs N6 O2 -","- C26 H29 Cs N6 O2 -","- C52 H58 Cs2 N12 O4 -","2","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0379","0.0287","","","0.063","0.0701","","","","","","1.083","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061121","12.097","0.003","14.929","0.003","11.827","0.003","90","","107.816","0.008","90","","2033.5","0.8","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O6 -","- C20 H29 N3 O6 -","- C80 H116 N12 O24 -","4","1","","Todorova, Stanislava E.; Rusew, Rusi I.; Petkova, Zhanina S.; Shivachev, Boris L.; Nikolova, Rositsa P.; Kurteva, Vanya B.","Acylpyrazolones possessing a heterocyclic moiety in the acyl fragment: intramolecular vs. intermolecular zwitterionic structures","New Journal of Chemistry","2022","46","3","1080","1086","10.1039/D1NJ05458A","","","0.71073","MoKα","","0.0411","0.0368","","","0.0936","0.0977","","","","","","1.035","","","","has coordinates","272746","2022-02-04","19:58:11",""
"7061122","12.5711","0.0007","13.4042","0.0008","14.1491","0.0008","92.556","0.004","105.136","0.004","111.373","0.004","2117.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H62 B F2 N5 O6 -","- C42 H62 B F2 N5 O6 -","- C84 H124 B2 F4 N10 O12 -","2","1","","Polishchuk, Vladyslav; Kulinich, Andrii; Suikov, Sergey; Rusanov, Eduard; Shandura, Mykola","‘Hybrid’ mero-anionic polymethines with a 1,3,2-dioxaborine core","New Journal of Chemistry","2022","46","3","1273","1285","10.1039/D1NJ05104K","","","0.71073","MoKα","","0.0923","0.0622","","","0.1608","0.1873","","","","","","0.993","","","","has coordinates,has disorder","272742","2022-02-04","19:57:11",""
"7061123","12.662","0.002","13.459","0.002","24.432","0.004","90.626","0.003","96.747","0.003","112.981","0.003","3799.3","1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4 -","- C78.2 H71.55 Cl5.55 N4.45 O18.45 Zn4 -","- C156.4 H143.1 Cl11.1 N8.9 O36.9 Zn8 -","2","1","","Meng, Wei; Sun, Lin; Long, Yuhao; Wang, Qianping; Zhou, Lian; Zhang, Jun","A novel luminescent phosphor of a metal–organic framework with orange-red emission","New Journal of Chemistry","2022","46","3","933","935","10.1039/D1NJ05218G","","x-ray","0.71073","MoKα","","0.1267","0.0615","","","0.1445","0.1746","","","","","","0.927","","","","has coordinates,has disorder","272743","2022-02-04","19:57:21",""
"7061124","18.645","0.003","13.0336","0.0017","11.1471","0.0018","90","","121.377","0.005","90","","2312.7","0.6","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Co(BPY)2","","- C20 H20 Cl2 Co N4 O2 -","- C20 H20 Cl2 Co N4 O2 -","- C80 H80 Cl8 Co4 N16 O8 -","4","0.5","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath","High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold","New Journal of Chemistry","2022","46","2","521","532","10.1039/D1NJ03992J","","","0.71073","MoKα","","0.0341","0.0274","","","0.0753","0.0779","","","","","","1.093","","","","has coordinates","272730","2022-02-04","19:55:56",""
"7061125","18.2363","0.0005","7.2361","0.0002","19.5525","0.0006","90","","90","","90","","2580.14","0.13","273","","273","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H22 Cl2 Co N10 -","- C26 H22 Cl2 Co N10 -","- C104 H88 Cl8 Co4 N40 -","4","1","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath","High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold","New Journal of Chemistry","2022","46","2","521","532","10.1039/D1NJ03992J","","","1.54184","CuKα","","0.0686","0.0638","","","0.1589","0.1651","","","","","","1.076","","","","has coordinates","272730","2022-02-04","19:55:56",""
"7061126","9.1353","0.0015","19.683","0.003","11.535","0.002","90","","93.588","0.007","90","","2070","0.6","244","2","244.64","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl2 In N7 -","- C22 H14 Cl2 In N7 -","- C88 H56 Cl8 In4 N28 -","4","1","","Han, Xu; Tong, Jialin; Ding, Guanyu; Sun, Chunyi; Wang, Xinlong; Su, Zhongmin; Sun, Jing; Wen, Li-Li; Shan, Guo-Gang","A low-dimensional N-rich coordination polymer as an effective fluorescence sensor for 2,4,6-trinitrophenol detection in an aqueous medium","New Journal of Chemistry","2022","46","4","1551","1556","10.1039/D1NJ05748K","","x-ray","0.71073","MoKα","","0.0374","0.0242","","","0.0628","0.0799","","","","","","1.259","","","","has coordinates","272728","2022-02-04","19:55:45",""
"7061127","6.5208","0.0002","14.5116","0.0005","10.1283","0.0003","90","","104.218","0.0005","90","","929.05","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 I2 N2 -","- C14 H30 I2 N2 -","- C28 H60 I4 N4 -","2","0.5","","Deng, Chun-Lin; Cheng, Ming; Zavalij, Peter Y.; Isaacs, Lyle","Thermodynamics of pillararene·guest complexation: blinded dataset for the SAMPL9 challenge","New Journal of Chemistry","2022","46","3","995","1002","10.1039/D1NJ05209H","","","0.71073","MoKα","","0.0268","0.024","","","0.0539","0.0553","","","","","","1.056","","","","has coordinates","272747","2022-02-04","19:58:19",""
"7061128","9.7724","0.0006","14.4058","0.0011","14.7097","0.0011","60.822","0.002","88.336","0.002","84.707","0.003","1800","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N-Di-n-butyl-4-((5-methyl-1,3,4-thiadiazol-2-yl)diazenyl)aniline","","- C17 H25 N5 S -","- C17 H25 N5 S -","- C68 H100 N20 S4 -","4","2","","Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny","Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties","New Journal of Chemistry","2022","46","4","1929","1942","10.1039/D1NJ05084B","","","0.71073","MoKα","","0.1014","0.0632","","","0.1397","0.1682","","","","","","1.007","","","","has coordinates,has disorder","272723","2022-02-04","19:55:02",""
"7061129","5.2794","0.0007","20.596","0.003","16.72","0.002","90","","98.645","0.005","90","","1797.4","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((4-(Di-n-butylamino)phenyl)diazenyl)-1,3,4-thiadiazole-2-carbaldehyde","","- C17 H23 N5 O S -","- C17 H23 N5 O S -","- C68 H92 N20 O4 S4 -","4","1","","Selivanova, Galina; Skolyapova, Alexandrina; Wang, Jiaying; Karpova, Elena; Shundrina, Inna; Bagryanskaya, Irina; Amosov, Evgeny","Azo dyes containing 1,3,4-thiadiazole fragment: synthesis and properties","New Journal of Chemistry","2022","46","4","1929","1942","10.1039/D1NJ05084B","","","0.71073","MoKα","","0.1085","0.0507","","","0.1036","0.1291","","","","","","1.01","","","","has coordinates","272723","2022-02-04","19:55:03",""
"7061130","15.949","0.0002","15.4462","0.0002","19.0718","0.0002","90","","90","","90","","4698.37","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 N4 -","- C30 H30 N4 -","- C240 H240 N32 -","8","1","","Filatova, Ekaterina A.; Tsybulin, Semyon V.; Rybin, Dmitry A.; Ozeryanskii, Valery A.; Gulevskaya, Anna V.; Pozharskii, Alexander F.; Borodkin, Gennady S.","A new family of 1,4-diaryl-1,3-butadiynes based on the “proton sponge”: synthesis, electronic and chemical properties","New Journal of Chemistry","2022","46","4","1829","1838","10.1039/D1NJ05350G","","x-ray","1.54184","CuKα","","0.0506","0.0459","","","0.1206","0.124","","","","","","1.026","","","","has coordinates","272727","2022-02-04","19:55:40",""
"7061131","14.847","0.0014","16.3744","0.0015","23.08","0.002","101.055","0.003","98.993","0.003","101.935","0.003","5274.4","0.8","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H126 I4 N10 O18 Zn6 -","- C45 H63 I2 N5 O9 Zn3 -","- C180 H252 I8 N20 O36 Zn12 -","4","2","","Karmakar, Mainak; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Large interaction energy for the homodimer and the heterodimer extracted from the supramolecular chain of a bent trinuclear zinc(ii) complex with a reduced Schiff base ligand","New Journal of Chemistry","2022","46","4","1845","1856","10.1039/D1NJ03984A","","","0.71073","MoKα","","0.0516","0.0368","","","0.0818","0.0893","","","","","","1.041","","","","has coordinates,has disorder","272726","2022-02-04","19:55:32",""
"7061132","9.5632","0.0001","17.8067","0.0003","16.1958","0.0003","90","","103.463","0.001","90","","2682.18","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O3 -","- C34 H30 N2 O3 -","- C136 H120 N8 O12 -","4","1","","Boruah, Dhruba Jyoti; Kathirvelan, Devarajan; Borra, Satheesh; Maurya, Ram Awatar; Yuvaraj, Panneerselvam","Design, synthesis via a one-pot approach and molecular docking studies of novel pyrrolo[2,1-a]isoquinoline derivatives","New Journal of Chemistry","2022","46","2","792","797","10.1039/D1NJ04115K","","","0.71073","MoKα","","0.074","0.0549","","","0.1326","0.15","","","","","","1.057","","","","has coordinates,has disorder","272729","2022-02-04","19:55:50",""
"7061133","13.289","0.003","10.17","0.002","26.139","0.005","90","","103.04","0.03","90","","3441.6","1.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O21 Sr U5.5 -","- O21 Sr U5.5 -","- O168 Sr8 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Nguyen, Thanh Ha; Zheng, Rongkun","Synthesis and characterization of a uranium oxide hydrate framework with Sr(ii) ions: structural insights and mixed uranium valences","New Journal of Chemistry","2022","46","3","1371","1380","10.1039/D1NJ05101F","","","0.71099","silicondoublecrystalmonochromatedsynchrotron","","0.0361","0.0347","","","0.0916","0.0931","","","","","","1.079","","","","has coordinates","272736","2022-02-04","19:56:31",""
"7061134","14.2549","0.0006","15.2377","0.0005","17.0827","0.0007","98.206","0.002","108.992","0.002","114.838","0.001","3010.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H124 Mo6 O19 P6 S8 -","- C100 H109 Mo6 O19 P6 S8 -","- C100 H109 Mo6 O19 P6 S8 -","1","0.5","","Novikova, Evgeniya D.; Gassan, Alena D.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Shestopalov, Michael A.","Neutral Mo6Q8-clusters with terminal phosphane ligands – a route to water-soluble molecular units of Chevrel phases","New Journal of Chemistry","2022","46","5","2218","2223","10.1039/D1NJ05802A","","","0.71073","MoKα","","0.0757","0.046","","","0.1277","0.1408","","","","","","1.027","","","","has coordinates,has disorder","272715","2022-02-04","19:53:30",""
"7061135","14.3781","0.0009","15.2185","0.0009","17.2172","0.001","97.527","0.002","109.711","0.002","114.89","0.002","3048.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H124 Mo6 O19 P6 Se8 -","- C100 H109 Mo6 O19 P6 Se8 -","- C100 H109 Mo6 O19 P6 Se8 -","1","0.5","","Novikova, Evgeniya D.; Gassan, Alena D.; Ivanov, Anton A.; Vorotnikov, Yuri A.; Shestopalov, Michael A.","Neutral Mo6Q8-clusters with terminal phosphane ligands – a route to water-soluble molecular units of Chevrel phases","New Journal of Chemistry","2022","46","5","2218","2223","10.1039/D1NJ05802A","","","0.71073","MoKα","","0.1159","0.0551","","","0.1328","0.1539","","","","","","0.948","","","","has coordinates,has disorder","272715","2022-02-04","19:53:30",""
"7061136","9.5221","0.0004","20.0965","0.0007","16.7407","0.0005","90","","105.965","0.004","90","","3080","0.2","287.64","0.16","287.64","0.16","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C31 H20 Cl N2 O7 Re -","- C31 H20 Cl N2 O7 Re -","- C124 H80 Cl4 N8 O28 Re4 -","4","1","","Zhou, Qian-hua; Pan, Ming-yue; He, Qi; Tang, Qian; Chow, Cheuk-fai; Gong, Cheng-bin","Electrochromic behavior of fac-tricarbonyl rhenium complexes","New Journal of Chemistry","2022","46","3","1072","1079","10.1039/D1NJ04955K","","x-ray","0.71073","MoKα","","0.0696","0.044","","","0.0949","0.1039","","","","","","1.026","","","","has coordinates,has disorder","272737","2022-02-04","19:56:36",""
"7061137","17.551","0.0007","7.4842","0.0003","16.2478","0.0007","90","","114.157","0.002","90","","1947.33","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl4 Cu N2 O2 -","- C12 H28 Cl4 Cu N2 O2 -","- C48 H112 Cl16 Cu4 N8 O8 -","4","1","","Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang","A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties","New Journal of Chemistry","2022","46","3","1054","1059","10.1039/D1NJ05074E","","","0.71073","MoKα","","0.0303","0.0263","","","0.0685","0.0715","","","","","","1.03","","","","has coordinates","272744","2022-02-04","19:57:38",""
"7061138","8.2737","0.0012","10.4938","0.0015","12.0521","0.0017","89.602","0.001","79.517","0.001","84.377","0.001","1023.9","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O2 -","- C12 H28 Cl4 Mn N2 O2 -","- C24 H56 Cl8 Mn2 N4 O4 -","2","1","","Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang","A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties","New Journal of Chemistry","2022","46","3","1054","1059","10.1039/D1NJ05074E","","","0.71073","MoKα","","0.0449","0.0319","","","0.0665","0.0741","","","","","","1.032","","","","has coordinates","272744","2022-02-04","19:57:48",""
"7061139","8.2361","0.0004","10.4179","0.0004","12.0049","0.0005","89.486","0.003","79.688","0.003","84.884","0.003","1009.35","0.08","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Co N2 O2 -","- C12 H28 Cl4 Co N2 O2 -","- C24 H56 Cl8 Co2 N4 O4 -","2","1","","Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang","A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties","New Journal of Chemistry","2022","46","3","1054","1059","10.1039/D1NJ05074E","","","0.71073","MoKα","","0.0301","0.0256","","","0.065","0.0683","","","","","","1.0511","","","","has coordinates","272744","2022-02-04","19:57:48",""
"7061140","17.617","0.005","13.441","0.005","8.825","0.003","90","","100.752","0.004","90","","2053","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 S -","- C20 H28 N2 O6 S -","- C80 H112 N8 O24 S4 -","4","1","","Fang, Bin; Zhang, Beilin; Zhai, Rongxiu; Wang, Limin; Ding, Yang; Li, Huizi; Bai, Hua; Wang, Zhenhua; Peng, Bo; Li, Lin; Fu, Li","Two-photon fluorescence imaging of mitochondrial viscosity with water-soluble pyridinium inner salts","New Journal of Chemistry","2022","46","5","2487","2494","10.1039/D1NJ05020F","","","0.71073","MoKα","","0.064","0.0488","","","0.1409","0.1563","","","","","","1.091","","","","has coordinates","272713","2022-02-04","19:53:19",""
"7061141","17.3121","0.0004","15.9196","0.0004","21.8917","0.0005","90","","90","","90","","6033.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 N4 O4 Si2 Tb2 -","- C56 H88 Cl2 N4 O4 Si2 Tb2 -","- C224 H352 Cl8 N16 O16 Si8 Tb8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0539","0.0347","","","0.075","0.0847","","","","","","1.026","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061142","18.5551","0.0016","17.539","0.002","21.8449","0.0017","90","","90","","90","","7109.2","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Y2 -","- C68 H112 Cl2 N4 O4 Si2 Y2 -","- C272 H448 Cl8 N16 O16 Si8 Y8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0758","0.0375","","","0.0809","0.092","","","","","","1.007","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061143","10.178","0.003","12.127","0.003","16.974","0.004","97.009","0.008","96.301","0.007","106.915","0.007","1966","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H64 Cl N2 O3 Si Y -","- C38 H64 Cl N2 O3 Si Y -","- C76 H128 Cl2 N4 O6 Si2 Y2 -","2","1","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.1151","0.0546","","","0.0867","0.102","","","","","","0.975","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061144","17.2844","0.0015","15.8628","0.0015","21.879","0.002","90","","90","","90","","5998.8","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 N4 O4 Si2 Y2 -","- C56 H88 Cl2 N4 O4 Si2 Y2 -","- C224 H352 Cl8 N16 O16 Si8 Y8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0846","0.0401","","","0.079","0.0941","","","","","","1.011","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061145","18.589","0.0003","17.5439","0.0004","21.9363","0.0004","90","","90","","90","","7153.9","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Tb2 -","- C68 H112 Cl2 N4 O4 Si2 Tb2 -","- C272 H448 Cl8 N16 O16 Si8 Tb8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0501","0.0284","","","0.0612","0.0693","","","","","","1.01","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061146","17.3771","0.0018","15.9355","0.0013","21.937","0.002","90","","90","","90","","6074.6","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 Gd2 N4 O4 Si2 -","- C56 H88 Cl2 Gd2 N4 O4 Si2 -","- C224 H352 Cl8 Gd8 N16 O16 Si8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0384","0.0266","","","0.0574","0.0639","","","","","","1.021","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061147","18.671","0.003","17.547","0.002","21.967","0.003","90","","90","","90","","7196.8","1.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Sm2 -","- C68 H112 Cl2 N4 O4 Si2 Sm2 -","- C272 H448 Cl8 N16 O16 Si8 Sm8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0923","0.0619","","","0.1504","0.1704","","","","","","1.28","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061148","12.6828","0.0018","18.077","0.002","21.843","0.003","90","","95.133","0.005","90","","4987.8","1.1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C88 H152 Cl4 Li2 N4 O9 Si2 Y2 -","- C88 H152 Cl4 Li2 N4 O9 Si2 Y2 -","- C176 H304 Cl8 Li4 N8 O18 Si4 Y4 -","2","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.1385","0.0743","","","0.1676","0.1976","","","","","","1.059","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061149","6.1321","0.0001","9.9927","0.0001","15.3343","0.0001","90","","90.225","0.001","90","","939.621","0.019","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Kubota, Yasuhiro; Koide, Kenta; Mizuno, Yuka; Nakazawa, Masato; Inuzuka, Toshiyasu; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Synthesis and fluorescence properties of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrrole dyes","New Journal of Chemistry","2022","46","4","1533","1542","10.1039/D1NJ04663B","","x-ray","1.54184","CuKα","","0.0335","0.0329","","","0.0838","0.0842","","","","","","1.092","","","","has coordinates","272725","2022-02-04","19:55:18",""
"7061150","10.6244","0.0003","12.3177","0.0003","14.0897","0.0006","90.747","0.003","96.017","0.003","93.379","0.002","1830.2","0.1","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","2","","Kubota, Yasuhiro; Koide, Kenta; Mizuno, Yuka; Nakazawa, Masato; Inuzuka, Toshiyasu; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Synthesis and fluorescence properties of unsymmetrical 1,4-dihydropyrrolo[3,2-b]pyrrole dyes","New Journal of Chemistry","2022","46","4","1533","1542","10.1039/D1NJ04663B","","x-ray","1.54184","CuKα","","0.0663","0.0612","","","0.1649","0.1694","","","","","","1.08","","","","has coordinates","272725","2022-02-04","19:55:21",""
"7061151","7.9284","0.0018","8.2719","0.0015","12.334","0.002","85.421","0.007","71.683","0.007","63.651","0.009","686.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O2 -","- C14 H8 Br2 N2 O2 -","- C28 H16 Br4 N4 O4 -","2","1","","Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping","Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans","New Journal of Chemistry","2022","46","4","1489","1493","10.1039/D1NJ05510K","","","0.71073","MoKα","","0.0876","0.0533","","","0.1174","0.1309","","","","","","1.089","","","","has coordinates","272720","2022-02-04","19:54:28",""
"7061152","4.8238","0.0006","7.3029","0.0009","11.0533","0.0014","76.643","0.004","78.988","0.004","87.455","0.004","371.87","0.08","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 N3 O4 -","- C5 H7 N3 O4 -","- C10 H14 N6 O8 -","2","1","","Zhang, Qi; Zhao, Cheng; Zhang, Xun; He, Chunlin; Pang, Siping","Oxidation of o-dioxime by (diacetoxyiodo)benzene: green and mild access to furoxans","New Journal of Chemistry","2022","46","4","1489","1493","10.1039/D1NJ05510K","","","0.71073","MoKα","","0.1234","0.0816","","","0.2498","0.3011","","","","","","1.03","","","","has coordinates","272720","2022-02-04","19:54:29",""
"7061153","12.6032","0.0013","15.0919","0.0015","20.395","0.002","90","","106.488","0.005","90","","3719.7","0.7","298.15","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H50 N3 Na O2 -","- C39 H50 N3 Na O2 -","- C156 H200 N12 Na4 O8 -","4","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.1252","0.072","","","0.1662","0.2017","","","","","","1.033","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061154","11.362","0.002","13.161","0.003","17.005","0.003","93.03","0.03","95.98","0.03","110.98","0.03","2350.2","1","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H66 Cl2 N3 O4 Y -","- C47 H66 Cl2 N3 O4 Y -","- C94 H132 Cl4 N6 O8 Y2 -","2","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0796","0.06","","","0.1257","0.139","","","","","","1.065","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061155","32.8979","0.0017","11.7923","0.0007","19.9051","0.0012","90","","105.143","0.002","90","","7453.9","0.7","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H100 K2 N6 O4 -","- C78 H100 K2 N6 O4 -","- C312 H400 K8 N24 O16 -","4","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0958","0.0625","","","0.1621","0.1804","","","","","","1.03","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061156","11.3647","0.0011","13.16","0.0012","17.0082","0.0016","93.144","0.001","95.993","0.001","110.972","0.001","2350.6","0.4","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H66 Cl2 Er N3 O4 -","- C47 H66 Cl2 Er N3 O4 -","- C94 H132 Cl4 Er2 N6 O8 -","2","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0469","0.0368","","","0.0882","0.0927","","","","","","1.047","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061157","9.2544","0.001","9.5728","0.0011","15.8225","0.0017","99.744","0.001","97.59","0.001","96.858","0.001","1354.9","0.3","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H35 N3 -","- C31 H35 N3 -","- C62 H70 N6 -","2","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0641","0.0446","","","0.1187","0.1318","","","","","","1.03","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061158","11.4","0.01","13.189","0.012","17.09","0.05","93.34","0.09","95.9","0.04","111.1","0.01","2372","8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H66 Cl2 N3 O4 Yb -","- C47 H66 Cl2 N3 O4 Yb -","- C94 H132 Cl4 N6 O8 Yb2 -","2","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0451","0.035","","","0.083","0.0878","","","","","","1.047","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061159","11.4008","0.001","18.4999","0.0016","20.1152","0.0018","93.461","0.001","98.18","0.001","97.869","0.001","4146","0.6","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 N3 Si2 Yb -","- C39 H56 N3 Si2 Yb -","- C156 H224 N12 Si8 Yb4 -","4","2","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0391","0.0278","","","0.0655","0.0721","","","","","","1.021","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061160","11.4267","0.0008","18.5276","0.0013","20.0773","0.0014","93.515","0.001","98.153","0.001","98.18","0.001","4150.4","0.5","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Er N3 Si2 -","- C39 H56 Er N3 Si2 -","- C156 H224 Er4 N12 Si8 -","4","2","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","x-ray","0.71073","MoKα","","0.0366","0.025","","","0.0551","0.0603","","","","","","1.01","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061161","13.872","0.002","17.623","0.002","36.834","0.006","90","","91.546","0.004","90","","9001","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H63 N3 Si2 Y -","- C42 H63 N3 Si2 Y -","- C336 H504 N24 Si16 Y8 -","8","1","","Guo, Liping; Guo, Changjia; Peng, Shuqi; Song, Renyuan","Synthesis, structure, and coordination chemistry of a neutral pyrrolyl-functionalized amidinate ligand","New Journal of Chemistry","2022","46","5","2465","2471","10.1039/D1NJ05548H","","","0.71073","MoKα","","0.1717","0.0992","","","0.2444","0.2766","","","","","","1.061","","","","has coordinates,has disorder","272718","2022-02-04","19:54:15",""
"7061162","10.2753","0.0013","15.0618","0.0019","19.894","0.003","90","","90","","90","","3078.9","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 O14 -","- C34 H36 O14 -","- C136 H144 O56 -","4","1","","Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Hoshiyama, To-sho; Imamura, Akari; Yoneyama, Tatsuro; Umeyama, Akemi; Noji, Masaaki; Tsunoda, Tetsuto; Kaku, Hiroto","Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin","New Journal of Chemistry","2022","46","6","2600","2604","10.1039/D1NJ05261F","","","0.71073","MoKα","","0.0639","0.0459","","","0.0945","0.103","","","","","","1.009","","","","has coordinates","273391","2022-03-04","22:19:45",""
"7061163","7.6958","0.0002","8.1833","0.0002","20.4464","0.0005","90","","90","","90","","1287.65","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(2-(2-(methoxymethyl)pyrrolidin-1-yl)-2H-inden-2-yl)lithium","","- C15 H18 Li N O -","- C15 H18 Li N O -","- C60 H72 Li4 N4 O4 -","4","1","","Rufanov, Konstantin A.; Titov, Ilya Yu.; Lemenovskii, Dmitry A.; Krut’ko, Dmitry P.; Churakov, Andrei V.","Novel approach for the synthesis of chiral organometallic complexes – first series of lithium 2-amino-indenide ligands bearing pendant donor groups and a unique helical bent-zirconocene","New Journal of Chemistry","2022","46","3","1409","1415","10.1039/D1NJ05094J","","","0.71073","MoKα","","0.1049","0.0599","","","0.1216","0.1423","","","","","","1.015","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7061164","8.858","0.004","14.662","0.006","18.902","0.008","90","","102.093","0.013","90","","2400.4","1.8","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 O -","- C35 H24 O -","- C140 H96 O4 -","4","1","","Jana, Kanyashree; Moorthy, Jarugu Narasimha","Homoconjugation in triptycenes: an inquiry through photochromism","New Journal of Chemistry","2022","46","3","1416","1422","10.1039/D1NJ04634A","","x-ray","0.71073","MoKα","","0.1746","0.073","","","0.1756","0.2308","","","","","","0.96","","","","has coordinates","272739","2022-02-04","19:56:47",""
"7061165","18.968","0.004","18.443","0.004","19.815","0.004","90","","92.77","0.03","90","","6924","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B18 H56 O80 V12 -","- B18 H56 O80 V12 -","- B72 H224 O320 V48 -","4","0.5","","Liu, Xinxin; Zhang, Le; Zhao, SiSi; Guo, Biao; Zhao, Zhen","Water assisted high proton conductance in a pure-inorganic framework vanadoborate","New Journal of Chemistry","2022","46","3","974","980","10.1039/D1NJ05335C","","","0.71073","MoKα","","0.0868","0.0631","","","0.1602","0.1753","","","","","","1.077","","","","has coordinates","272735","2022-02-04","19:56:26",""
"7061166","16.854","0.002","22.397","0.002","5.6423","0.0005","90","","90","","90","","2129.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H18 Br2 N2 O2 -","- C25 H18 Br2 N2 O2 -","- C100 H72 Br8 N8 O8 -","4","1","","Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying","Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents","New Journal of Chemistry","2022","46","3","1295","1307","10.1039/D1NJ05170A","","x-ray","0.71073","MoKα","","0.0711","0.0412","","","0.0708","0.0802","","","","","","1.016","","","","has coordinates","272738","2022-02-04","19:56:42",""
"7061167","11.269","0.003","8.445","0.002","20.524","0.004","90","","96.54","0.02","90","","1940.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F2 N2 O2 -","- C25 H18 F2 N2 O2 -","- C100 H72 F8 N8 O8 -","4","1","","Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying","Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents","New Journal of Chemistry","2022","46","3","1295","1307","10.1039/D1NJ05170A","","x-ray","0.71073","MoKα","","0.0902","0.0604","","","0.1554","0.1842","","","","","","1.047","","","","has coordinates","272738","2022-02-04","19:56:42",""
"7061168","8.6664","0.0005","22.88","0.0012","21.5111","0.0011","90","","90.321","0.003","90","","4265.3","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N3 O14 P3 -","- C44 H36 N3 O14 P3 -","- C176 H144 N12 O56 P12 -","4","1","","Şenkuytu, Elif; Akbaş, Nadide; Yıldırım, Tuba; Çiftçi, Gönül Yenilmez","Synthesis, characterization and cytotoxic activity studies on cancer cell lines of new paraben-decorated monospiro-cyclotriphosphazenes","New Journal of Chemistry","2022","46","5","2453","2464","10.1039/D1NJ04585G","","","0.71073","MoKα","","0.078","0.0617","","","0.1669","0.1801","","","","","","1.038","","","","has coordinates","272712","2022-02-04","19:53:13",""
"7061169","12.381","0.0007","13.9962","0.0008","11.9361","0.0007","90","","121.228","0.0019","90","","1768.7","0.18","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H28 N2 Ni O Si -","- C15 H28 N2 Ni O Si -","- C60 H112 N8 Ni4 O4 Si4 -","4","1","","Cloutier, Jean-Philippe; Zamani, Fahimeh; Zargarian, Davit","Aerobic oxidation-functionalization of the aryl moiety in van Koten's pincer complex (NCN)Ni(ii)Br: relevance to carbon–heteroatom coupling reactions promoted by high-valent nickel species","New Journal of Chemistry","2022","46","4","1800","1807","10.1039/D1NJ05162H","","x-ray","1.34139","GaKα","","0.0612","0.0605","","","0.1633","0.1644","","","","","","1.028","","","","has coordinates","272721","2022-02-04","19:54:35",""
"7061170","26.46","0.04","6.552","0.01","20.28","0.03","90","","94.62","0.02","90","","3504","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SPIRO","SPIRO","","- C16 H19 N5 O4 S -","- C16 H19 N5 O4 S -","- C128 H152 N40 O32 S8 -","8","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0821","0.0529","","","0.1307","0.1463","","","","","","1.035","","","","has coordinates,has disorder","273390","2022-03-04","22:19:39",""
"7061171","26.56","0.04","7.133","0.012","19.18","0.03","90","","95.72","0.02","90","","3616","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N5 O4 S -","- C16 H19 N5 O4 S -","- C128 H152 N40 O32 S8 -","8","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.1023","0.0581","","","0.1298","0.1482","","","","","","1.042","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061172","18.03","0.03","18.03","0.03","20.39","0.04","90","","90","","90","","6628","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H15 N5 O4 S -","- C14 H15 N5 O4 S -","- C224 H240 N80 O64 S16 -","16","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0539","0.044","","","0.1151","0.1224","","","","","","1.078","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061173","8.796","0.002","11.281","0.003","11.333","0.003","65.16","0.05","87.05","0.07","84.17","0.07","1015.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N5 O4 S -","- C20 H19 N5 O4 S -","- C40 H38 N10 O8 S2 -","2","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0996","0.0643","","","0.154","0.1712","","","","","","1.11","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061174","9.7258","0.0017","11.0684","0.0019","20.736","0.003","90","","99.75","0.03","90","","2200","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N5 O4 S -","- C21 H21 N5 O4 S -","- C84 H84 N20 O16 S4 -","4","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0559","0.0436","","","0.1073","0.1136","","","","","","1.067","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061175","26.56","0.03","6.708","0.006","20.85","0.02","90","","93.285","0.017","90","","3709","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl N5 O4 S -","- C16 H17 Cl N5 O4 S -","- C128 H136 Cl8 N40 O32 S8 -","8","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0791","0.0578","","","0.1422","0.1553","","","","","","1.055","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061176","12.294","0.007","16.369","0.007","18.699","0.01","104.62","0.009","105.192","0.012","100.914","0.009","3380","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Cl4 N20 O16 S4 -","- C56 H52 Cl4 N20 O16 S4 -","- C112 H104 Cl8 N40 O32 S8 -","2","1","","Shyamsivappan, Selvaraj; Vivek, Raju; Suresh, Thangaraj; Naveen, Palanivel; Kaviyarasu, Adhigaman; Amsaveni, Sundarasamy; Athimoolam, Shunmuganarayanan; Mohan, Palathurai Subramaniam","New N-(3′-acetyl-8-nitro-2,3-dihydro-1H,3′H-spiro[quinoline-4,2′-[1,3,4]thiadiazol]-5′-yl) acetamides induced cell death in MCF-7 cells via G2/M phase cell cycle arrest","New Journal of Chemistry","2022","46","6","2817","2828","10.1039/D1NJ02550C","","","0.71073","MoKα","","0.0831","0.0552","","","0.1387","0.155","","","","","","1.037","","","","has coordinates","273390","2022-03-04","22:19:39",""
"7061177","9.4232","0.0004","19.3491","0.0008","14.9248","0.0007","90","","103.331","0.005","90","","2647.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 F6 S -","- C16 H6 F6 S -","- C128 H48 F48 S8 -","8","2","","Wu, Yaxing; Wu, Chao; Wang, Fei; Chen, Chao","Cu-catalyzed [2 + 2 + 1] cascade annulation of vinyl iodonium salts with elemental sulfur/selenium for the modular synthesis of thiophenes and selenophenes","New Journal of Chemistry","2022","46","3","945","949","10.1039/D1NJ05433C","","","1.54178","CuKα","","0.1229","0.0912","","","0.1818","0.1897","","","","","","1.507","","","","has coordinates,has disorder","272745","2022-02-04","19:57:54",""
"7061178","13.507","0.003","8.2794","0.0017","16.968","0.003","90","","90","","90","","1897.5","0.7","439.6","","439.6","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 B2 Cu N16 -","- C10 H16 B2 Cu N16 -","- C40 H64 B8 Cu4 N64 -","4","0.5","","Mei, Haozheng; Xu, Yiqiang; Lei, Guorong; Cao, Wenli; Li, Zhimin; Zhang, Jianguo","Synthesis, structure and properties of a high-energy metal–organic framework fuel [Cu(MTZ)2(CTB)2]n","New Journal of Chemistry","2022","46","4","1687","1692","10.1039/D1NJ05710C","","","0.71073","MoKα","","0.1434","0.1128","","","0.1589","0.1699","","","","","","1.31","","","","has coordinates","272724","2022-02-04","19:55:08",""
"7061179","9.7493","0.0016","14.816","0.002","14.827","0.002","81.262","0.003","81.825","0.003","72.098","0.003","2003.9","0.5","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H29.58 N4 O16 -","- C46 H29.584 N4 O16 -","- C92 H59.168 N8 O32 -","2","1","","Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin","Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance","New Journal of Chemistry","2022","46","4","1905","1911","10.1039/D1NJ04918F","","","0.71073","MoKα","","0.1507","0.091","","","0.25","0.298","","","","","","1.036","","","","has coordinates,has disorder","272719","2022-02-04","19:54:22",""
"7061180","9.6809","0.0014","15.526","0.002","13.6809","0.0017","90","","94.407","0.003","90","","2050.2","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 N2 O21 -","- C46 H35 N2 O21 -","- C92 H70 N4 O42 -","2","0.5","","Zhu, Bai-Li; Jin, Yun-Peng; Jiang, Jian; Zuo, Ming-Hui; Cui, Shu-Xin","Two new photochromic supramolecular compositions based on viologen: photocontrolled fluorescence, aniline detection and inkless erasable printing performance","New Journal of Chemistry","2022","46","4","1905","1911","10.1039/D1NJ04918F","","","0.71073","MoKα","","0.2066","0.0896","","","0.1823","0.2192","","","","","","1.062","","","","has coordinates,has disorder","272719","2022-02-04","19:54:22",""
"7061181","12.4694","0.0005","22.2327","0.0009","21.18","0.0008","90","","101.25","0.001","90","","5758.9","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H70 Co Ge2 Mo24 N24 O84 -","- C52 H70 Co Ge2 Mo24 N24 O84 -","- C104 H140 Co2 Ge4 Mo48 N48 O168 -","2","0.5","","Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi)","New Journal of Chemistry","2022","46","6","2798","2807","10.1039/D1NJ05316G","","","0.71073","MoKα","","0.0368","0.0273","","","0.0596","0.0625","","","","","","1.067","","","","has coordinates,has disorder","273393","2022-03-04","22:20:02",""
"7061182","8.2559","0.0009","10.2674","0.0011","27.104","0.003","90.778","0.002","96.28","0.002","112.573","0.002","2104.9","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H37 Mo6.17 N6 Ni2 O35 Te -","- C13 H35 Mo6.1667 N6 Ni2 O34 Te -","- C26 H70 Mo12.3334 N12 Ni4 O68 Te2 -","2","1","","Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi)","New Journal of Chemistry","2022","46","6","2798","2807","10.1039/D1NJ05316G","","","0.71073","MoKα","","0.0496","0.0451","","","0.1187","0.122","","","","","","1.044","","","","has coordinates,has disorder","273393","2022-03-04","22:20:02",""
"7061183","12.004","0.0014","12.6182","0.0014","18.381","0.002","73.018","0.002","72.311","0.002","89.947","0.001","2525","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Co Mo8 N12 O31 -","- C26 H40 Co Mo8 N12 O31 -","- C52 H80 Co2 Mo16 N24 O62 -","2","1","","Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi)","New Journal of Chemistry","2022","46","6","2798","2807","10.1039/D1NJ05316G","","","0.71073","MoKα","","0.0453","0.0385","","","0.0919","0.0961","","","","","","1.113","","","","has coordinates,has disorder","273393","2022-03-04","22:20:02",""
"7061184","11.9807","0.0003","12.6328","0.0004","18.3167","0.0005","106.905","0.001","107.578","0.001","89.94","0.001","2517.12","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Mo8 N12 Ni O31 -","- C26 H40 Mo8 N12 Ni O31 -","- C52 H80 Mo16 N24 Ni2 O62 -","2","1","","Sun, Chenxi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM compounds constructed using a flexible ligand containing three coordination groups: electrocatalytic and photocatalytic reduction and amperometric detection of Cr(vi)","New Journal of Chemistry","2022","46","6","2798","2807","10.1039/D1NJ05316G","","","0.71073","MoKα","","0.0351","0.0276","","","0.0606","0.0635","","","","","","1.024","","","","has coordinates,has disorder","273393","2022-03-04","22:20:02",""
"7061185","8.432","0.0003","8.645","0.0005","10.0078","0.0005","66.339","0.005","84.385","0.004","81.355","0.004","660.03","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Horsten, Tomas; Alegbejo Price, Temitayo Omowumi; Van Meervelt, Luc; Emery, Flavio da Silva; Dehaen, Wim","2-Imidazolidinone benzofurans as unexpected outcome of the Lewis acid mediated Nenitzescu reaction","New Journal of Chemistry","2022","46","5","2028","2032","10.1039/D1NJ04965H","","x-ray","0.71073","MoKα","","0.0495","0.0394","","","0.0955","0.1039","","","","","","1.059","","","","has coordinates","272716","2022-02-04","19:53:35",""
"7061186","12.8204","0.0011","13.6719","0.0011","13.672","","90","","90","","90","","2396.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Li4 N2 O10 -","- C22 H22 Li4 N2 O10 -","- C88 H88 Li16 N8 O40 -","4","1","","Han, Xiang; Wu, Tiantian; Gu, Lanhui; Tian, Dan","A Li-based MOF-derived multifunctional PEO polymer solid-state electrolyte for lithium energy storage","New Journal of Chemistry","2022","46","8","3747","3753","10.1039/D1NJ05199G","","","0.71073","MoKα","","0.1072","0.0978","","","0.2936","0.3115","","","","","","1.341","","","","has coordinates","273387","2022-03-04","22:18:45",""
"7061187","9.474","0.0007","14.0726","0.001","11.5916","0.0008","90","","103.893","0.005","90","","1500.23","0.19","229","2","229","2","","","","","","","","3","P 1 21 1","P 2yb","4","HQT3","Tripterester C","","- C30 H38 O13 -","- C30 H38 O13 -","- C60 H76 O26 -","2","1","","Zhou, Le; Bai, Ming; He, Qing-Jun; Hou, Zi-Lin; Lu, Li-Wei; Wang, Jie; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Nine new dihydro-β-agarofuran sesquiterpene polyesters from the leaves of Tripterygium wilfordii","New Journal of Chemistry","2022","46","5","2423","2430","10.1039/D1NJ03800A","","","1.54178","CuKα","","0.0409","0.0388","","","0.0997","0.1025","","","","","","1.048","","","","has coordinates","272714","2022-02-04","19:53:24",""
"7061188","26.3773","0.0017","26.3773","0.0017","27.4429","0.0017","90","","90","","90","","19094","2","296","2","296","2","","","","","","","","8","I 4/m c m","-I 4 2c","140","","","","- C96 H425 Cu16 K2 N64 Nb48 O233 V21 -","- C96 H304 Cu16 K2 N64 Nb48 O233 V21 -","- C192 H608 Cu32 K4 N128 Nb96 O466 V42 -","2","0.0625","","Guo, Hui-Li; Wang, Yi-Kun; Qu, Xiao-Jie; Feng, Rui; Pang, Jing-Yu; Bai, Yan; Dang, Dong-Bin","Crystal structure and electrochemistry properties of one two-dimensional heteropolyoxoniobate based on four- and five-vanadium-capped Keggin anions","New Journal of Chemistry","2022","46","4","1494","1497","10.1039/D1NJ04891K","","","0.71073","MoKα","","0.1077","0.0644","","","0.1714","0.1925","","","","","","1.05","","","","has coordinates,has disorder","272722","2022-02-04","19:54:56",""
"7061189","6.5949","0.0013","8.7129","0.0017","9.1609","0.0018","102.33","0.03","90.26","0.03","105.15","0.03","495.36","0.19","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 N8 Na2 O4 -","- C3 H6 N8 Na2 O4 -","- C6 H12 N16 Na4 O8 -","2","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0437","0.0407","","","0.1046","0.111","","","","","","1.105","","","","has coordinates","273402","2022-03-04","22:21:11",""
"7061190","4.4887","0.0009","7.571","0.0015","12.714","0.003","97.31","0.03","92.74","0.03","106.32","0.03","409.7","0.17","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 K0.5 N8 O Rb1.5 -","- C3 K0.499 N8 O Rb1.501 -","- C6 K0.998 N16 O2 Rb3.002 -","2","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0359","0.0329","","","0.0726","0.0742","","","","","","1.099","","","","has coordinates,has disorder","273402","2022-03-04","22:21:12",""
"7061191","6.8","0.0014","7.5","0.0015","24.2","0.005","90","","90","","90","","1234.2","0.4","153.15","","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H20 N16 Na4 O12 -","- C6 H20 N16 Na4 O12 -","- C12 H40 N32 Na8 O24 -","2","0.25","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0865","0.0844","","","0.1869","0.1878","","","","","","1.264","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061192","7.1376","0.0014","17.029","0.003","7.6232","0.0015","90","","111.38","0.03","90","","862.8","0.3","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H2 K2 N8 O2 -","- C3 H2 K2 N8 O2 -","- C12 H8 K8 N32 O8 -","4","2","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.03","0.029","","","0.0641","0.0675","","","","","","1.076","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061193","6.623","0.0013","12.839","0.003","13.282","0.003","90","","90","","90","","1129.4","0.4","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 N8 O6 Sr -","- C3 H10 N8 O6 Sr -","- C12 H40 N32 O24 Sr4 -","4","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.032","0.0312","","","0.0726","0.0732","","","","","","1.073","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061194","11.89","0.002","16.7","0.003","11.228","0.002","90","","90","","90","","2229.5","0.7","153","2","153.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C3 H10 Mg N8 O6 -","- C3 H10 Mg N8 O6 -","- C24 H80 Mg8 N64 O48 -","8","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.0687","0.0589","","","0.1288","0.1363","","","","","","1.116","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061195","8.0895","0.0002","8.7415","0.0002","13.3578","0.0003","108.358","0.002","96.423","0.002","97.449","0.002","877.17","0.04","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cd Cl2 N2 O -","- C18 H14 Cd Cl2 N2 O -","- C36 H28 Cd2 Cl4 N4 O2 -","2","1","","Ma, Jialin; Dong, Yuwei; Yu, Zhou; Wu, Yan; Zhao, Zhen","A pyridine based Schiff base as a selective and sensitive fluorescent probe for cadmium ions with “turn-on” fluorescence responses","New Journal of Chemistry","2022","46","7","3348","3357","10.1039/D1NJ05919J","","","1.54178","CuKα","","0.0487","0.0474","","","0.122","0.1234","","","","","","1.04","","","","has coordinates","273395","2022-03-04","22:20:13",""
"7061196","9.4282","0.0003","10.036","0.0003","16.8484","0.0005","95.271","0.002","102.089","0.002","92.733","0.002","1548.6","0.08","241","7","241","7","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu I P2 -","- C38 H28 Cu I P2 -","- C76 H56 Cu2 I2 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","0.71073","MoKα","","0.0387","0.0307","","","0.0861","0.0978","","","","","","1.187","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061197","13.3273","0.0007","13.4397","0.0007","14.4861","0.0006","65.047","0.004","63.653","0.005","68.84","0.005","2059.3","0.2","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl Cu O2 P2 -","- C40 H32 Cl Cu O2 P2 -","- C80 H64 Cl2 Cu2 O4 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","0.71073","MoKα","","0.0682","0.0502","","","0.1394","0.1492","","","","","","1.039","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061198","12.3306","0.0001","16.7868","0.0002","18.7717","0.0003","90","","94.176","0.001","90","","3875.26","0.08","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cu I O4 P2 -","- C42 H36 Cu I O4 P2 -","- C168 H144 Cu4 I4 O16 P8 -","4","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","1.54184","CuKα","","0.0331","0.0305","","","0.0775","0.079","","","","","","1.045","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061199","12.132","0.0001","12.5512","0.0002","12.9308","0.0001","91.483","0.001","108.89","0.001","113.913","0.001","1674.7","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cu I O2 P2 -","- C40 H32 Cu I O2 P2 -","- C80 H64 Cu2 I2 O4 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","1.54184","CuKα","","0.0337","0.0331","","","0.0992","0.0998","","","","","","1.047","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061200","9.4441","0.0001","10.0937","0.0002","16.802","0.0003","94.999","0.001","101.446","0.001","92.007","0.001","1561.59","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Br Cu P2 -","- C38 H28 Br Cu P2 -","- C76 H56 Br2 Cu2 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.079","0.08","","","","","","1.025","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061201","12.1192","0.0002","12.5675","0.0003","12.6953","0.0002","90.664","0.001","114.373","0.002","108.705","0.002","1644.87","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Br Cu O2 P2 -","- C40 H32 Br Cu O2 P2 -","- C80 H64 Br2 Cu2 O4 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","1.54184","CuKα","","0.0362","0.0335","","","0.0882","0.0899","","","","","","1.089","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061202","9.4432","0.0001","10.0854","0.0001","16.6463","0.0002","94.732","0.001","100.982","0.001","91.613","0.001","1549.47","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cl Cu P2 -","- C38 H28 Cl Cu P2 -","- C76 H56 Cl2 Cu2 P4 -","2","1","","Liu, Nian; Liu, Li; Zhong, Xin-Xin; Li, Fa-Bao; Li, Feng-Yan; Qin, Hai-Mei","Ethynyl π-coordinated and non-coordinated mononuclear Cu(i) halide diphosphine complexes: synthesis and photophysical studies","New Journal of Chemistry","2022","46","7","3236","3247","10.1039/D1NJ05578J","","x-ray","1.54184","CuKα","","0.0339","0.0313","","","0.0842","0.086","","","","","","1.0439","","","","has coordinates","273396","2022-03-04","22:20:25",""
"7061203","5.572","0.002","18.599","0.007","18.753","0.008","90","","92.336","0.008","90","","1941.8","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C78 H96 O24 S6 -","6","3","","Kumar, Harikesh; Dubey, Atul; Prajapati, Gurudayal; Kant, Ruchir; Ampapathi, Ravi S.; Mandal, Pintu Kumar","Regioselective direct sulfenylation of glycals using arylsulfonyl chlorides in the presence of triphenylphosphine: access to C2-thioaryl glycosides","New Journal of Chemistry","2022","46","7","3426","3430","10.1039/D1NJ05228D","","","0.71075","MoKα","","0.1361","0.0713","","","0.1476","0.1719","","","","","","0.919","","","","has coordinates","273394","2022-03-04","22:20:08",""
"7061204","30.462","0.004","28.777","0.004","12.1091","0.0017","90","","90","","90","","10615","3","296.15","","296.15","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C66 H88 Cu3 N8 O29 -","- C46 H22 Cu3 O22 -","- C184 H88 Cu12 O88 -","4","0.25","","Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72−","New Journal of Chemistry","2022","46","9","4292","4299","10.1039/D1NJ06217D","","","0.71073","MoKα","","0.0655","0.0482","","","0.1165","0.1234","","","","","","0.945","","","","has coordinates","273407","2022-03-04","22:21:57",""
"7061205","12.153","0.002","12.643","0.003","12.69","0.003","84.243","0.003","85.337","0.003","78.012","0.003","1894","0.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H65 N5 O29 Zn5 -","- C50 H36 N2 O22 Zn5 -","- C50 H36 N2 O22 Zn5 -","1","0.5","","Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72−","New Journal of Chemistry","2022","46","9","4292","4299","10.1039/D1NJ06217D","","","0.71073","MoKα","","0.064","0.0549","","","0.1774","0.1913","","","","","","1.087","","","","has coordinates","273407","2022-03-04","22:21:57",""
"7061206","13.8336","0.0005","17.251","0.0005","27.2896","0.0007","94.969","0.002","97.482","0.002","99.709","0.003","6325.1","0.3","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H78.5 La3 N11 O42 -","- C31 H71.5 La3 N11 O38.5 -","- C124 H286 La12 N44 O154 -","4","2","","Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui","Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane","New Journal of Chemistry","2022","46","8","3707","3715","10.1039/D1NJ05608E","","","0.71073","MoKα","","0.0725","0.0501","","","0.0978","0.1066","","","","","","1.024","","","","has coordinates","273385","2022-03-04","22:18:24",""
"7061207","12.4288","0.0008","14.334","0.001","16.0464","0.0011","73.795","0.006","85.301","0.005","82.669","0.005","2719.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 La2 N4 Na8 O42.5 -","- C23 H28 La2 N4 Na8 O37.5 -","- C46 H56 La4 N8 Na16 O75 -","2","1","","Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui","Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane","New Journal of Chemistry","2022","46","8","3707","3715","10.1039/D1NJ05608E","","","0.71073","MoKα","","0.0737","0.0531","","","0.1086","0.1217","","","","","","1.02","","","","has coordinates,has disorder","273385","2022-03-04","22:18:24",""
"7061208","12.416","0.002","14.31","0.002","16.017","0.003","73.825","0.014","85.236","0.014","82.697","0.013","2707.6","0.8","172.95","0.1","172.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41.5 Ce2 N4 Na8 O42.5 -","- C23 H30.5 Ce2 N4 Na8 O37 -","- C46 H61 Ce4 N8 Na16 O74 -","2","1","","Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui","Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane","New Journal of Chemistry","2022","46","8","3707","3715","10.1039/D1NJ05608E","","","0.71073","MoKα","","0.1416","0.08","","","0.1192","0.1477","","","","","","0.974","","","","has coordinates","273385","2022-03-04","22:18:24",""
"7061209","18.3813","0.0007","15.2765","0.0006","23.6607","0.0009","90","","104.641","0.004","90","","6428.2","0.4","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H60.5 Ce3 K5 N6 O43.5 -","- C31 H53.5 Ce3 K5 N6 O40 -","- C124 H214 Ce12 K20 N24 O160 -","4","1","","Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui","Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane","New Journal of Chemistry","2022","46","8","3707","3715","10.1039/D1NJ05608E","","","0.71073","MoKα","","0.0831","0.0614","","","0.1091","0.1169","","","","","","1.111","","","","has coordinates,has disorder","273385","2022-03-04","22:18:24",""
"7061210","18.3281","0.001","15.3082","0.0006","23.6676","0.0011","90","","104.899","0.005","90","","6417.2","0.5","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 K5 La3 N6 O43.5 -","- C31 H47 K5 La3 N6 O40 -","- C124 H188 K20 La12 N24 O160 -","4","1","","Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui","Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane","New Journal of Chemistry","2022","46","8","3707","3715","10.1039/D1NJ05608E","","","0.71073","MoKα","","0.0993","0.0665","","","0.129","0.1438","","","","","","1.032","","","","has coordinates,has disorder","273385","2022-03-04","22:18:24",""
"7061211","6.2618","0.0003","7.4426","0.0003","29.3159","0.001","90.733","0.003","92.011","0.003","97.051","0.004","1354.87","0.1","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cl F4 O -","- C15 H7 Cl F4 O -","- C60 H28 Cl4 F16 O4 -","4","2","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Halogen atom effect of fluorinated tolanes on their luminescence characteristics","New Journal of Chemistry","2022","46","10","4562","4569","10.1039/D1NJ05539A","","x-ray","0.71073","MoKα","","0.0998","0.0707","","","0.2179","0.2402","","","","","","1.06","","","","has coordinates","275002","2022-05-05","20:41:34",""
"7061212","16.2038","0.0006","6.1025","0.0002","28.4996","0.001","90","","90","","90","","2818.15","0.17","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H7 F4 I O -","- C15 H7 F4 I O -","- C120 H56 F32 I8 O8 -","8","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Halogen atom effect of fluorinated tolanes on their luminescence characteristics","New Journal of Chemistry","2022","46","10","4562","4569","10.1039/D1NJ05539A","","x-ray","0.71073","MoKα","","0.0441","0.0342","","","0.0928","0.0983","","","","","","1.1","","","","has coordinates","275002","2022-05-05","20:41:34",""
"7061213","7.581","0.0005","28.9757","0.0012","6.4309","0.0004","90","","100.322","0.007","90","","1389.78","0.14","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 Br F4 O -","- C15 H7 Br F4 O -","- C60 H28 Br4 F16 O4 -","4","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Halogen atom effect of fluorinated tolanes on their luminescence characteristics","New Journal of Chemistry","2022","46","10","4562","4569","10.1039/D1NJ05539A","","x-ray","0.71073","MoKα","","0.1014","0.0471","","","0.0913","0.1044","","","","","","1.009","","","","has coordinates","275002","2022-05-05","20:41:34",""
"7061214","10.4594","0.0006","10.8089","0.0008","13.2837","0.0007","101.462","0.005","112.148","0.005","105.775","0.006","1259.83","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Br N2 O3 -","- C29 H27 Br N2 O3 -","- C58 H54 Br2 N4 O6 -","2","1","","Zhang, Xiaofeng; Liu, Miao; Zhan, Desheng; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","Three-component [3 + 2] cycloaddition for regio- and diastereoselective synthesis of spirooxindole-pyrrolidines","New Journal of Chemistry","2022","46","8","3866","3870","10.1039/D1NJ05538K","","x-ray","1.54184","CuKα","","0.0611","0.0541","","","0.144","0.1529","","","","","","1.045","","","","has coordinates,has disorder","273386","2022-03-04","22:18:30",""
"7061215","6.6599","0.0004","7.4329","0.0004","8.7949","0.0005","87.367","0.003","75.419","0.003","87.06","0.003","420.55","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-Methoxy-3,1,2,4-benzothiaselenadiazine","","- C7 H6 N2 O S Se -","- C7 H6 N2 O S Se -","- C14 H12 N4 O2 S2 Se2 -","2","1","","Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V.","New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts","New Journal of Chemistry","2022","46","8","3687","3696","10.1039/D1NJ05979C","","","0.71073","MoKα","","0.0325","0.0283","","","0.0727","0.0775","","","","","","1.103","","","","has coordinates","273383","2022-03-04","22:18:02",""
"7061216","10.5054","0.0007","12.336","0.0008","14.6228","0.001","113.319","0.003","98.895","0.003","103.186","0.003","1629.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1 : 1 complex between 4,7-Di-tert-butyl-1,2,3-benzodithiazolium chloride and 5,8-Di-tert-butyl-7-chlor-1,3,2,4-benzodithiadiazine 3,3-dioxide","","- C28 H41.33 Cl1.67 N3 O2 S4 -","- C28 H41.332 Cl1.668 N3 O2 S4 -","- C56 H82.664 Cl3.336 N6 O4 S8 -","2","1","","Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V.","New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts","New Journal of Chemistry","2022","46","8","3687","3696","10.1039/D1NJ05979C","","","0.71073","MoKα","","0.0698","0.0476","","","0.1224","0.1379","","","","","","1.018","","","","has coordinates,has disorder","273383","2022-03-04","22:18:02",""
"7061217","10.6876","0.0018","7.0309","0.0014","20.882","0.006","90","","95.119","0.009","90","","1562.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","4,7-Di-tert-butyl-1,2,3-benzodithiazolium chloride","","- C14 H20 Cl N S2 -","- C14 H20 Cl N S2 -","- C56 H80 Cl4 N4 S8 -","4","0.5","","Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V.","New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts","New Journal of Chemistry","2022","46","8","3687","3696","10.1039/D1NJ05979C","","","0.71073","MoKα","","0.13","0.0931","","","0.2361","0.2457","","","","","","1.075","","","","has coordinates","273383","2022-03-04","22:18:02",""
"7061218","7.8867","0.0004","5.5755","0.0002","17.6217","0.0008","90","","97.319","0.002","90","","768.55","0.06","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,1,3-Benzothiaselenazolium chloride","","- C6 H4 Cl N S Se -","- C6 H4 Cl N S Se -","- C24 H16 Cl4 N4 S4 Se4 -","4","1","","Makarov, Alexander Yu.; Volkova, Yulia M.; Zikirin, Samat B.; Irtegova, Irina G.; Bagryanskaya, Irina Yu.; Gatilov, Yuri V.; Nefedov, Andrey A.; Zibarev, Andrey V.","New 3,1,2,4-benzothiaselenadiazines, related π-heterocycles including Herz cations, radicals and molecular complexes, and Bunte salts","New Journal of Chemistry","2022","46","8","3687","3696","10.1039/D1NJ05979C","","","0.71073","MoKα","","0.0521","0.0397","","","0.0932","0.0994","","","","","","1.022","","","","has coordinates","273383","2022-03-04","22:18:02",""
"7061219","8.82","0.004","5.152","0.002","14.649","0.006","90","","91.24","0.02","90","","665.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-bis(2-fluorophenyl)thiazolo[5,4-d]thiazole","","- C8 H4 F N S -","- C8 H4 F N S -","- C32 H16 F4 N4 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.1548","0.1145","","","0.3013","0.3303","","","","","","1.282","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061220","4.3379","0.0007","16.178","0.002","10.9464","0.0016","90","","101.031","0.005","90","","754.01","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(perfluorophenyl)thiazolo[5,4-d]thiazole","","- C16 F10 N2 S2 -","- C16 F10 N2 S2 -","- C32 F20 N4 S4 -","2","0.5","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.05","0.0381","","","0.0905","0.098","","","","","","1.039","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061221","7.2602","0.0004","15.8141","0.0008","13.1144","0.0007","90","","96.323","0.002","90","","1496.55","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-chloro-2-(2,6-dichlorophenyl)thiazolo[5,4-c]isoquinoline","","- C16 H7 Cl3 N2 S -","- C16 H7 Cl3 N2 S -","- C64 H28 Cl12 N8 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0765","0.0511","","","0.1062","0.1227","","","","","","1.091","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061222","12.0604","0.0012","18.5095","0.0016","7.598","0.0006","90","","108.203","0.003","90","","1611.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,9-dichloro-2-(2,3,6-trichlorophenyl)thiazolo[5,4-c]isoquinoline","","- C16 H5 Cl5 N2 S -","- C16 H5 Cl5 N2 S -","- C64 H20 Cl20 N8 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0992","0.0563","","","0.1341","0.1532","","","","","","1.005","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061223","16.53","0.03","3.794","0.006","21.65","0.03","90","","95.57","0.04","90","","1351","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,7,9-trifluoro-2-(2,3,5,6-tetrafluorophenyl)thiazolo[5,4-c]isoquinoline","","- C16 H3 F7 N2 S -","- C16 H3 F7 N2 S -","- C64 H12 F28 N8 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71076","MoKα","","0.0784","0.0612","","","0.1604","0.1779","","","","","","1.058","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061224","8.139","0.002","37.12","0.006","10.902","0.002","90","","95.83","0.02","90","","3276.7","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-fluoro-6-(trifluoromethyl)phenyl)-6-(trifluoromethyl)thiazolo[5,4-c]isoquinoline","","- C36 H14 F14 N4 S2 -","- C36 H14 F14 N4 S2 -","- C144 H56 F56 N16 S8 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.1641","0.0705","","","0.1372","0.1741","","","","","","1.02","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061225","12.5438","0.0009","14.9504","0.0011","9.298","0.0007","90","","90","","90","","1743.7","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-bis(2-chloro-6-methylphenyl)thiazolo[5,4-d]thiazole","","- C9 H6 Cl N S -","- C9 H6 Cl N S -","- C72 H48 Cl8 N8 S8 -","8","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.1059","0.087","","","0.2478","0.2688","","","","","","1.053","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061226","7.3032","0.0008","15.9713","0.0016","13.2331","0.0016","90","","97.53","0.004","90","","1530.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-chloro-6-methylphenyl)-6-methylthiazolo[5,4-c]isoquinoline","","- C18 H13 Cl N2 S -","- C18 H13 Cl N2 S -","- C72 H52 Cl4 N8 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1244","0.1334","","","","","","1.048","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061227","3.8831","0.0002","11.9865","0.0007","15.5339","0.0009","83.534","0.002","83.375","0.003","84.296","0.003","710.89","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,5-bis(2,6-difluorophenyl)thiazolo[5,4-d]thiazole","","- C16 H6 F4 N2 S2 -","- C16 H6 F4 N2 S2 -","- C32 H12 F8 N4 S4 -","2","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0302","0.0279","","","0.0787","0.0806","","","","","","1.056","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061228","13.3364","0.0018","5.081","0.0007","21.565","0.003","90","","104.017","0.005","90","","1417.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7,8,9-tetrafluoro-2-(perfluorophenyl)thiazolo[5,4-c]isoquinoline","","- C16 H F9 N2 S -","- C16 H F9 N2 S -","- C64 H4 F36 N8 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.1116","0.0844","","","0.2396","0.2635","","","","","","1.103","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061229","12.4146","0.0011","14.9366","0.0011","9.6752","0.0008","90","","90","","90","","1794.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,5-bis(2,6-dibromophenyl)thiazolo[5,4-d]thiazole","","- C8 H3 Br2 N S -","- C8 H3 Br2 N S -","- C64 H24 Br16 N8 S8 -","8","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0846","0.0402","","","0.0744","0.0872","","","","","","1.001","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061230","7.76","0.009","9.903","0.011","11.438","0.013","90","","94.58","0.03","90","","876.2","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-bis(2-fluoro-6-(trifluoromethyl)phenyl)thiazolo[5,4-d]thiazole","","- C9 H3 F4 N S -","- C9 H3 F4 N S -","- C36 H12 F16 N4 S4 -","4","1","","Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.","Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes","New Journal of Chemistry","2022","46","8","3602","3615","10.1039/D1NJ05536D","","","0.71073","MoKα","","0.0456","0.0362","","","0.0926","0.0984","","","","","","1.053","","","","has coordinates","273382","2022-03-04","22:17:54",""
"7061231","23.4333","0.0005","11.7042","0.0003","14.6428","0.0004","90","","90","","90","","4016.05","0.17","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H40 N8 O4 Pd2 S2 -","- C40 H40 N8 O4 Pd2 S2 -","- C160 H160 N32 O16 Pd8 S8 -","4","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","1.54184","CuKα","","0.0367","0.0329","","","0.0828","0.0866","","","","","","1.09","","","","has coordinates","273389","2022-03-04","22:19:25",""
"7061232","23.367","0.006","11.818","0.003","14.969","0.004","90","","90","","90","","4133.7","1.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H42 N6 O4 Pd2 S2 -","- C42 H42 N6 O4 Pd2 S2 -","- C168 H168 N24 O16 Pd8 S8 -","4","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.1129","0.0767","","","0.2274","0.2893","","","","","","1.055","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061233","15.0093","0.0004","4.0809","0.0001","11.0604","0.0003","90","","125.104","0.001","90","","554.24","0.03","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H8 Hg N2 S2 -","- C10 H8 Hg N2 S2 -","- C20 H16 Hg2 N4 S4 -","2","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.0222","0.0222","","","0.0606","0.0606","","","","","","0.718","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061234","7.3138","0.0002","11.8378","0.0003","19.4817","0.0005","90","","90","","90","","1686.71","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl N4 Pd S -","- C16 H17 Cl N4 Pd S -","- C64 H68 Cl4 N16 Pd4 S4 -","4","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.0421","0.0296","","","0.0629","0.0685","","","","","","0.978","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061235","11.166","0.002","13.242","0.003","14.462","0.003","74","0.03","74.57","0.03","81.37","0.03","1974.6","0.8","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H82 N12 O2 Pd3 S4 -","- C83 H82 N12 O2 Pd3 S4 -","- C83 H82 N12 O2 Pd3 S4 -","1","0.5","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.0568","0.0336","","","0.0775","0.0845","","","","","","1.028","","","","has coordinates,has disorder","273389","2022-03-04","22:19:26",""
"7061236","8.5415","0.0002","8.5421","0.0002","8.5441","0.0002","89.996","0.001","89.995","0.001","90.016","0.001","623.4","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba4 Bi3 Na O12 -","- Ba4 Bi3.00025 Na0.99975 O12 -","- Ba8 Bi6.0005 Na1.9995 O24 -","2","1","","Hossain, Khandaker Monower; Saiduzzaman, Md; Kumada, Nobuhiro; Takei, Takahiro; Yamane, Hisanori","Hydrothermal synthesis and crystal structure of a novel double-perovskite-type bismuth oxide with 3 : 1 ordering at the B-site","New Journal of Chemistry","2022","46","8","3595","3601","10.1039/D1NJ05648D","","","0.71073","MoKα","","0.0234","0.0202","","","0.045","0.0476","","","","","","1.167","","","","has coordinates","273379","2022-03-04","22:17:27",""
"7061237","11.5397","0.0003","14.4235","0.0005","15.6048","0.0004","70.951","0.003","79.619","0.002","87.626","0.002","2414.47","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 Au2 Cl4 N9 P2 Zn -","- C45 H43 Au2 Cl4 N9 P2 Zn -","- C90 H86 Au4 Cl8 N18 P4 Zn2 -","2","1","","Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus","Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands","New Journal of Chemistry","2022","46","9","4062","4071","10.1039/D1NJ05806A","","","1.54184","CuKα","","0.0354","0.0331","","","0.0839","0.0856","","","","","","1.066","","","","has coordinates","273406","2022-03-04","22:21:50",""
"7061238","10.6195","0.0004","12.3785","0.0004","18.7756","0.0005","108.768","0.003","103.715","0.003","92.291","0.003","2252.05","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Au Cl N4 P -","- C23 H21 Au Cl N4 P -","- C92 H84 Au4 Cl4 N16 P4 -","4","2","","Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus","Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands","New Journal of Chemistry","2022","46","9","4062","4071","10.1039/D1NJ05806A","","","0.71073","MoKα","","0.0364","0.0272","","","0.0635","0.0784","","","","","","1.11","","","","has coordinates","273406","2022-03-04","22:21:50",""
"7061239","12.1017","0.0006","13.8083","0.0007","27.2988","0.0014","90","","101.929","0.002","90","","4463.2","0.4","100","2","100.05","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cl2 N4 O2 P2 Ru S -","- C50 H40 Cl2 N4 O2 P2 Ru S -","- C200 H160 Cl8 N16 O8 P8 Ru4 S4 -","4","1","","Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O.","Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones","New Journal of Chemistry","2022","46","7","3146","3155","10.1039/D1NJ05657C","","x-ray","0.71073","MoKα","","0.0326","0.027","","","0.0626","0.0661","","","","","","1.017","","","","has coordinates","273397","2022-03-04","22:20:36",""
"7061240","8.7777","0.0007","10.4016","0.0007","20.9559","0.0014","90","","97.071","0.003","90","","1898.8","0.2","100","2","99.95","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl2 N5 O3 Ru S -","- C16 H10 Cl2 N5 O3 Ru S -","- C64 H40 Cl8 N20 O12 Ru4 S4 -","4","1","","Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O.","Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones","New Journal of Chemistry","2022","46","7","3146","3155","10.1039/D1NJ05657C","","x-ray","0.71073","MoKα","","0.0413","0.0353","","","0.0885","0.0921","","","","","","1.092","","","","has coordinates","273397","2022-03-04","22:20:36",""
"7061241","21.3269","0.0017","12.2526","0.001","37.414","0.003","90","","97.809","0.004","90","","9686","1.4","100.05","","100.05","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H74 Cl2 N8 O4 P4 Ru2 S2 -","- C98 H74 Cl2 N8 O4 P4 Ru2 S2 -","- C392 H296 Cl8 N32 O16 P16 Ru8 S8 -","4","1","","Kumah, Robert T.; Vijayan, Paranthaman; Ojwach, Stephen O.","Carboxamide carbonyl-ruthenium(ii) complexes: detailed structural and mechanistic studies in the transfer hydrogenation of ketones","New Journal of Chemistry","2022","46","7","3146","3155","10.1039/D1NJ05657C","","x-ray","0.71073","MoKα","","0.047","0.0345","","","0.0769","0.0824","","","","","","1.008","","","","has coordinates","273397","2022-03-04","22:20:36",""
"7061242","8.9965","0.0003","7.9831","0.0003","21.596","0.0009","90","","94.474","0.004","90","","1546.3","0.1","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F5 O2 -","- C17 H11 F5 O2 -","- C68 H44 F20 O8 -","4","1","","Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu","Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics","New Journal of Chemistry","2022","46","7","3392","3400","10.1039/D1NJ05822C","","x-ray","0.71073","MoKα","","0.0702","0.051","","","0.1491","0.1624","","","","","","1.095","","","","has coordinates","273399","2022-03-04","22:20:48",""
"7061243","8.9679","0.0005","9.2898","0.0004","11.8018","0.0005","88.321","0.004","83.008","0.004","84.421","0.004","971.12","0.08","299","","299","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 F5 O2 -","- C23 H15 F5 O2 -","- C46 H30 F10 O4 -","2","1","","Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu","Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics","New Journal of Chemistry","2022","46","7","3392","3400","10.1039/D1NJ05822C","","x-ray","0.71073","MoKα","","0.0625","0.0447","","","0.1259","0.1381","","","","","","1.064","","","","has coordinates","273399","2022-03-04","22:20:48",""
"7061244","7.5715","0.0006","10.6727","0.0006","11.9855","0.0007","65.696","0.006","71.888","0.006","76.943","0.006","833.57","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 F5 O2 -","- C18 H13 F5 O2 -","- C36 H26 F10 O4 -","2","1","","Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu","Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics","New Journal of Chemistry","2022","46","7","3392","3400","10.1039/D1NJ05822C","","x-ray","0.71073","MoKα","","0.1695","0.1432","","","0.4805","0.5001","","","","","","1.933","","","","has coordinates","273399","2022-03-04","22:20:48",""
"7061245","6.1206","0.0003","22.0913","0.001","11.8054","0.0006","90","","97.582","0.005","90","","1582.28","0.13","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 F4 N O2 -","- C19 H11 F4 N O2 -","- C76 H44 F16 N4 O8 -","4","1","","Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu","Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics","New Journal of Chemistry","2022","46","7","3392","3400","10.1039/D1NJ05822C","","x-ray","0.71073","MoKα","","0.0628","0.0485","","","0.1406","0.1503","","","","","","1.101","","","","has coordinates","273399","2022-03-04","22:20:48",""
"7061246","9.274","0.0006","9.9087","0.0007","11.313","0.0006","99.48","0.005","102.576","0.005","112.887","0.007","898.1","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","(6R,12S)-4,10-dimethoxy-13-(thiophen-2-ylmethyl)-6,12-dihydro-6,12-epiminodibenzo[b,f][1,5]dioxocine","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C42 H38 N2 O8 S2 -","2","1","","Rodríguez, M. R.; Espino, G. A.; Piro, O. E.; Echeverría, G. A.; Parajón-Costa, B. S.; González-Baró, A. C.","The crystal structure and characterization of a co-product in the synthesis of a Schiff base give evidence of its zwitterionic nature in the solid state","New Journal of Chemistry","2022","46","7","3130","3139","10.1039/D1NJ04537G","","","1.54184","CuKα","","0.0794","0.0681","","","0.1981","0.2206","","","","","","1.092","","","","has coordinates","273398","2022-03-04","22:20:40",""
"7061247","11.086","0.004","11.54","0.004","12.936","0.004","113.666","0.012","91.973","0.014","94.252","0.013","1507.8","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","AM3-63","2-((9H-fluoren-9-ylidene)methyl)-6-iodo-1,2-diphenyl-2,3-dihydroquinazolin-4(1H)-one","","- C35 H25 Cl2 I N2 O -","- C35 H25 Cl2 I N2 O -","- C70 H50 Cl4 I2 N4 O2 -","2","1","","Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy","BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones","New Journal of Chemistry","2022","46","6","2952","2961","10.1039/D1NJ05379E","","","0.71073","MoKα","","0.0836","0.0604","","","0.1315","0.1482","","","","","","1.063","","","","has coordinates","273392","2022-03-04","22:19:52",""
"7061248","13.7423","0.0004","18.5947","0.0006","15.441","0.0005","90","","108.153","0.001","90","","3749.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AM3-142","","","- C43.5 H34 Br Cl N2 O -","- C43.5 H34 Br Cl N2 O -","- C174 H136 Br4 Cl4 N8 O4 -","4","1","","Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy","BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones","New Journal of Chemistry","2022","46","6","2952","2961","10.1039/D1NJ05379E","","","1.54178","CuKα","","0.089","0.07","","","0.2117","0.2428","","","","","","1.044","","","","has coordinates,has disorder","273392","2022-03-04","22:19:52",""
"7061249","10.087","0.001","19.325","0.001","18.562","0.001","90","","93.06","0.01","90","","3613.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N4 O P2 Pd S -","- C40 H34 N4 O P2 Pd S -","- C160 H136 N16 O4 P8 Pd4 S4 -","4","1","","Goudarzi, Atousa; Ghassemzadeh, Mitra; Saeidifar, Maryam; Aghapoor, Kioumars; Mohsenzadeh, Farshid; Neumüller, Bernhard","In vitro cytotoxicity and antibacterial activity of [Pd(AMTTO)(PPh3)2]: a novel promising palladium(ii) complex","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05545C","","","0.71073","MoKα","","0.0316","0.0247","","","0.0602","0.0622","","","","","","1.013","","","","has coordinates","272264","2022-01-27","01:18:11",""
"7061250","14.9248","0.0002","14.988","0.0002","22.0289","0.0003","90","","90","","90","","4927.71","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 In N6 Se3 -","- C18 H21 In N6 Se3 -","- C144 H168 In8 N48 Se24 -","8","1","","Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Wadawale, A. P.; Kedarnath, G.; Kumar, N. Naveen; Bahadur, Jitendra","Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor","New Journal of Chemistry","2022","46","8","3871","3881","10.1039/D1NJ06167D","","x-ray","1.54184","CuKα","","0.0481","0.0464","","","0.1421","0.1442","","","","","","1.049","","","","has coordinates","273384","2022-03-04","22:18:08",""
"7061251","11.9876","0.0012","10.8264","0.0011","13.1607","0.0014","90","","108.645","0.003","90","","1618.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 Cl F N O S -","- C19 H11 Cl F N O S -","- C76 H44 Cl4 F4 N4 O4 S4 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.","Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles","New Journal of Chemistry","2022","46","9","4134","4141","10.1039/D1NJ05332A","","","0.71073","MoKα","","0.0958","0.0674","","","0.1647","0.1837","","","","","","1.081","","","","has coordinates,has disorder","273401","2022-03-04","22:21:01",""
"7061252","27.2572","0.0012","10.8688","0.0005","13.4118","0.0006","90","","109.945","0.002","90","","3735","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl F N2 O -","- C24 H16 Cl F N2 O -","- C192 H128 Cl8 F8 N16 O8 -","8","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.","Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles","New Journal of Chemistry","2022","46","9","4134","4141","10.1039/D1NJ05332A","","","0.71073","MoKα","","0.0619","0.0434","","","0.0995","0.1105","","","","","","1.035","","","","has coordinates","273401","2022-03-04","22:21:02",""
"7061253","7.3208","0.0002","9.0728","0.0002","12.5495","0.0003","73.212","0.001","81.338","0.001","73.194","0.001","761.88","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl N O S -","- C19 H12 Cl N O S -","- C38 H24 Cl2 N2 O2 S2 -","2","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.","Oxidative [3+2]-annulation of nitroalkenes and azolium ylides in the presence of Cu(ii): efficient synthesis of [5,5]-annulated N-fused heterocycles","New Journal of Chemistry","2022","46","9","4134","4141","10.1039/D1NJ05332A","","","0.71073","MoKα","","0.0432","0.0343","","","0.0848","0.0903","","","","","","1.045","","","","has coordinates","273401","2022-03-04","22:21:02",""
"7061254","25.887","0.008","25.887","0.008","15.915","0.006","90","","90","","120","","9236","5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H60 N6 O4 Ru -","- C38 H52 N6 Ru -","- C342 H468 N54 Ru9 -","9","0.5","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.0389","0.0376","","","0.1016","0.1035","","","","","","1.066","","","","has coordinates,has disorder","273388","2022-03-04","22:19:09",""
"7061255","13.0216","0.0017","32.214","0.005","27.028","0.004","90","","98.184","0.003","90","","11222","3","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C103 H116 F18 Fe2 N6 O P7 Ru -","- C103 H116 F18 Fe2 N6 O P7 Ru -","- C412 H464 F72 Fe8 N24 O4 P28 Ru4 -","4","1","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.0738","0.0644","","","0.1782","0.1886","","","","","","1.048","","","","has coordinates,has disorder","273388","2022-03-04","22:19:10",""
"7061256","13.838","0.003","30.951","0.008","25.87","0.007","90","","96.1","0.006","90","","11017","5","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C104 H118 Cl8 F12 Fe2 N6 P6 Ru -","- C100 H110 F12 Fe2 N6 P6 Ru -","- C400 H440 F48 Fe8 N24 P24 Ru4 -","4","1","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.0832","0.0646","","","0.1458","0.1598","","","","","","1.097","","","","has coordinates,has disorder","273388","2022-03-04","22:19:10",""
"7061257","28.53","0.006","26.984","0.005","34.406","0.007","90","","90","","90","","26488","9","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C117 H140 F24 Fe2 N10 O3 P8 Ru -","- C100 H110 F24 Fe2 N6 P8 Ru -","- C800 H880 F192 Fe16 N48 P64 Ru8 -","8","1","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.1038","0.0841","","","0.2228","0.2445","","","","","","1.05","","","","has coordinates,has disorder","273388","2022-03-04","22:19:10",""
"7061258","17.5164","0.0003","10.53615","0.00013","23.073","0.0003","90","","111.647","0.0016","90","","3957.93","0.11","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C176 H216 N8 O24 S8 -","8","1","","Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin","Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction","New Journal of Chemistry","2022","46","5","2553","2558","10.1039/D1NJ05031A","","x-ray","1.54184","CuKα","","0.0423","0.0414","","","0.1072","0.1083","","","","","","1.041","","","","has coordinates","272362","2022-02-01","01:15:07",""
"7061259","11.8021","0.0008","14.8362","0.0007","11.906","0.0005","90","","95.792","0.005","90","","2074.08","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl0 N O S0.11 -","- C10.6667 H10.6667 N0.888889 O1.33333 S0.444444 -","- C96 H96 N8 O12 S4 -","9","2.25","","Xing, Siyang; Wang, Chenyu; Gao, Tingxuan; Wang, Yuhan; Wang, Hongzheng; Wang, Hanfei; Wang, Kui; Zhu, Bolin","Construction of 4-spiroannulated tetrahydroisoquinoline skeletons via a sequential ring opening of aziridines and Pictet–Spengler reaction","New Journal of Chemistry","2022","46","5","2553","2558","10.1039/D1NJ05031A","","x-ray","0.71073","MoKα","","0.0553","0.0426","","","0.1127","0.1242","","","","","","1.031","","","","has coordinates","272362","2022-02-01","01:15:07",""
"7061260","7.7952","0.0001","18.669","0.0003","10.9834","0.0002","90","","94.348","0.001","90","","1593.8","0.04","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 Ni O3 -","- C18 H18 N2 Ni O3 -","- C72 H72 N8 Ni4 O12 -","4","1","","Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh","Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties","New Journal of Chemistry","2022","46","9","4363","4372","10.1039/D1NJ05638G","","","0.71073","MoKα","","0.0338","0.0308","","","0.0791","0.0807","","","","","","1.145","","","","has coordinates","273403","2022-03-04","22:21:20",""
"7061261","14.9223","0.0004","9.1624","0.0002","19.522","0.0005","90","","98.265","0.001","90","","2641.41","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 N4 Ni4 O14 -","- C42 H56 N4 Ni4 O14 -","- C84 H112 N8 Ni8 O28 -","2","0.5","","Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh","Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties","New Journal of Chemistry","2022","46","9","4363","4372","10.1039/D1NJ05638G","","","0.71073","MoKα","","0.0464","0.0368","","","0.0981","0.1047","","","","","","1.048","","","","has coordinates","273403","2022-03-04","22:21:21",""
"7061262","28.199","0.004","15.467","0.002","17.513","0.002","90","","99.674","0.005","90","","7529.7","1.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.4 H58.81 N10 Ni6 O16 -","- C56.403 H58.806 N10 Ni6 O16 -","- C225.612 H235.224 N40 Ni24 O64 -","4","1","","Bhunia, Pradip; Maity, Souvik; Mayans, Júlia; Ghosh, Ashutosh","Templated synthesis of Ni(ii) complexes of unsymmetrical Schiff base ligands derived from 1,3-diamino-2-propanol: structural diversity and magnetic properties","New Journal of Chemistry","2022","46","9","4363","4372","10.1039/D1NJ05638G","","","0.71073","MoKα","","0.1014","0.0547","","","0.1328","0.1586","","","","","","0.974","","","","has coordinates,has disorder","273403","2022-03-04","22:21:21",""
"7061263","7.7834","0.0002","76.7442","0.0014","11.2014","0.0003","90","","90","","90","","6690.9","0.3","173","2","173","2","","","","","","","","5","P n c a","-P 2a 2n","60","","BuO-BTD","","- C26 H28 N2 O2 S -","- C26 H28 N2 O2 S -","- C312 H336 N24 O24 S12 -","12","1.5","","Miranda-Olvera, Montserrat; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio; Salmon, Lionel; Molnár, Gábor; Bousseksou, Azzedine; del Pilar Carreón-Castro, María","Design and synthesis of benzothiadiazole-based molecular systems: self-assembly, optical and electronic properties","New Journal of Chemistry","2022","46","11","4992","5001","10.1039/D1NJ04559H","","x-ray","1.54184","CuKα","","0.1227","0.1188","","","0.2496","0.2511","","","","","","1.212","","","","has coordinates","275039","2022-05-05","20:48:23",""
"7061264","12.209","0.006","13.821","0.007","17.299","0.008","90","","109.65","0.012","90","","2749","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 B F2 N5 O4 -","- C32 H20 B F2 N5 O4 -","- C128 H80 B4 F8 N20 O16 -","4","1","","Zarcone, Samuel R.; Yarbrough, Hana J.; Neal, Martin J.; Kelly, Jordan C.; Kaczynski, Katie L.; Bloomfield, Aaron J.; Bowers, Geoffrey M.; Montgomery, Thomas D.; Chase, Daniel T.","Synthesis and photophysical properties of nitrated aza-BODIPYs","New Journal of Chemistry","2022","46","9","4483","4496","10.1039/D1NJ05976A","","","0.71073","MoKα","","0.0925","0.0499","","","0.1202","0.1394","","","","","","1.04","","","","has coordinates","273400","2022-03-04","22:20:54",""
"7061265","7.543","0.0004","8.7848","0.0005","27.6566","0.0016","90","","90","","90","","1832.63","0.18","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Fe N2 O -","- C20 H26 Fe N2 O -","- C80 H104 Fe4 N8 O4 -","4","1","","Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation","New Journal of Chemistry","2022","46","8","3948","3960","10.1039/D1NJ06106B","","","0.71073","MoKα","","0.0553","0.036","","","0.0706","0.0768","","","","","","1.062","","","","has coordinates","273381","2022-03-04","22:17:41",""
"7061266","10.2197","0.0006","10.3087","0.0005","25.1548","0.0012","90","","90","","90","","2650.1","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe N2 O3 -","- C28 H36 Fe N2 O3 -","- C112 H144 Fe4 N8 O12 -","4","1","","Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation","New Journal of Chemistry","2022","46","8","3948","3960","10.1039/D1NJ06106B","","","0.71073","MoKα","","0.0474","0.0378","","","0.0976","0.1036","","","","","","1.078","","","","has coordinates,has disorder","273381","2022-03-04","22:17:42",""
"7061267","5.5708","0.0002","12.9751","0.0004","7.3754","0.0002","90","","96.45","0.003","90","","529.73","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cu H6 O7 S -","- Cu H6 O7 S -","- Cu4 H24 O28 S4 -","4","1","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","0.71073","MoKα","","0.0194","0.0188","","","0.0424","0.0429","","","","","","1.0125","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061268","5.0281","0.0005","5.1502","0.0005","7.5607","0.0009","108.592","0.012","108.382","0.012","91.359","0.01","174.41","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- Cu H2 O5 S -","- Cu H2 O5 S -","- Cu2 H4 O10 S2 -","2","1","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","1.54184","CuKα","","0.0759","0.0753","","","0.2174","0.2178","","","","","","1.0366","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061269","8.3958","0.0006","6.676","0.0004","4.827","0.0003","90","","90","","90","","270.56","0.03","100","0.3","100","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu O4 S -","- Cu O4 S -","- Cu4 O16 S4 -","4","0.5","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","0.71073","MoKα","","0.0235","0.0205","","","0.052","0.0535","","","","","","1.0215","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061270","5.9676","0.0002","6.0957","0.0002","10.6366","0.0003","77.224","0.003","82.387","0.002","72.434","0.003","358.85","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- Cu H10 O9 S -","- Cu H10 O9 S -","- Cu2 H20 O18 S2 -","2","1","","Ibrahim, Mukaila A.; Boeré, René T.","The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors","New Journal of Chemistry","2022","46","12","5479","5488","10.1039/D2NJ00169A","","x-ray","0.71073","MoKα","","0.029","0.0249","","","0.0494","0.0513","","","","","","1.0757","","","","has coordinates","275047","2022-05-05","20:50:34",""
"7061271","9.6244","0.0005","10.9915","0.0005","12.4372","0.0006","70.037","0.004","71.256","0.004","81.851","0.004","1170.29","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Fe-bpc","","- C21 H21 Cl2 Fe N5 O5.5 -","- C21 H21 Cl2 Fe N5 O5.5 -","- C42 H42 Cl4 Fe2 N10 O11 -","2","1","","Sun, Xia-Xing; Du, Juan; Tan, Jie-Jie; Zhan, Shu-Zhong","A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution","New Journal of Chemistry","2022","46","8","3794","3799","10.1039/D1NJ05904A","","x-ray","1.54184","CuKα","","0.0661","0.062","","","0.1846","0.1885","","","","","","1.071","","","","has coordinates","273380","2022-03-04","22:17:35",""
"7061272","12.8","0.002","13.044","0.002","28.611","0.005","90","","90","","90","","4777","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(8-methyl-phenylimidazo[1,2-a]pyridin-3-yl)disulfane","","- C28 H22 N4 S2 -","- C28 H22 N4 S2 -","- C224 H176 N32 S16 -","8","2","","Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama","Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur","New Journal of Chemistry","2022","46","10","4784","4791","10.1039/D1NJ05226H","","","0.71073","MoKα","","0.0561","0.0559","","","0.1501","0.1503","","","","","","1.263","","","","has coordinates","275006","2022-05-05","20:42:23",""
"7061273","11.9878","0.0011","13.8358","0.0016","12.521","0.0014","90","","101.924","0.004","90","","2031.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[2-phenylimidazo[1,2-a]pyridin-3-yl]sulfane","","- C26 H18 N4 S -","- C26 H18 N4 S -","- C104 H72 N16 S4 -","4","1","","Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama","Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur","New Journal of Chemistry","2022","46","10","4784","4791","10.1039/D1NJ05226H","","","0.71073","MoKα","","0.0482","0.0409","","","0.108","0.1206","","","","","","1.202","","","","has coordinates","275006","2022-05-05","20:42:24",""
"7061274","26.608","0.005","10.5511","0.0018","29.4","0.005","90","","115.862","0.003","90","","7427","2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H87 Co3 N9 O23 -","- C62 H50 Co3 N6 O12 -","- C248 H200 Co12 N24 O48 -","4","0.5","","Zhou, Tao; Qian, Jianlei; Lu, Xin; Xu, Heng; Chen, Lei; Zhang, Chuanlei","Metal–organic framework based on flexible ligands and CoII–CoII–CoII system: selective gas adsorption and magnetic properties","New Journal of Chemistry","2022","46","9","4307","4313","10.1039/D1NJ06042B","","","0.71073","MoKα","","0.1078","0.0795","","","0.2104","0.2375","","","","","","0.997","","","","has coordinates","273404","2022-03-04","22:21:27",""
"7061275","9.6791","0.0017","10.859","0.002","13.678","0.003","98.38","0.006","110.301","0.006","98.772","0.006","1301.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Al N5 O16 S2 -","- C14 H28 Al N5 O16 S2 -","- C28 H56 Al2 N10 O32 S4 -","2","1","","Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations","New Journal of Chemistry","2022","46","11","5002","5011","10.1039/D1NJ06211E","","","0.71073","MoKα","","0.0462","0.0372","","","0.0992","0.1056","","","","","","1.033","","","","has coordinates,has disorder","275041","2022-05-05","20:48:46",""
"7061276","26.4924","0.0012","6.791","0.0004","14.9191","0.0007","90","","113.212","0.002","90","","2466.8","0.2","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C28 H30 Fe N10 O18 S4 -","- C28 H30 Fe N10 O18 S4 -","- C56 H60 Fe2 N20 O36 S8 -","2","0.25","","Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations","New Journal of Chemistry","2022","46","11","5002","5011","10.1039/D1NJ06211E","","","0.71073","MoKα","","0.0604","0.0404","","","0.099","0.1117","","","","","","1.041","","","","has coordinates,has disorder","275041","2022-05-05","20:48:53",""
"7061277","6.8652","0.0007","17.5151","0.0017","20.2578","0.0019","74.458","0.003","89.112","0.003","85.783","0.003","2340.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Cu3 N14 O18 S4 -","- C32 H44 Cu3 N14 O18 S4 -","- C64 H88 Cu6 N28 O36 S8 -","2","1","","Gurbanov, Atash V.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Water-soluble Al(iii), Fe(iii) and Cu(ii) formazanates: synthesis, structure, and applications in alkane and alcohol oxidations","New Journal of Chemistry","2022","46","11","5002","5011","10.1039/D1NJ06211E","","","0.71073","MoKα","","0.0615","0.0393","","","0.0946","0.1047","","","","","","1.022","","","","has coordinates","275041","2022-05-05","20:48:58",""
"7061278","12.0648","0.0005","17.3104","0.0007","13.4411","0.0005","90","","90","","90","","2807.13","0.19","149.99","0.1","150.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H30 Cd2 N4 O15 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","0.5","","Zhang, Hongbi; Liu, Xueguang; Shao, Yongliang; Liu, Wei; Liu, Weisheng","Study on the synthesis and host–guest luminescence properties of a novel Cd(ii)-picolinate coordination polymer","New Journal of Chemistry","2022","46","9","4257","4261","10.1039/D1NJ05048F","","","0.71073","MoKα","","0.0393","0.0288","","","0.074","0.0767","","","","","","1.103","","","","has coordinates","273408","2022-03-04","22:22:02",""
"7061279","7.587","0.0001","13.5053","0.0002","17.4716","0.0002","96.951","0.001","94.373","0.001","98.603","0.001","1748.93","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 P2 Se2 -","- C40 H46 P2 Se2 -","- C80 H92 P4 Se4 -","2","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0297","0.0284","","","0.0747","0.0758","","","","","","1.093","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061280","7.4669","0.0002","17.7087","0.0004","15.2071","0.0003","90","","90.347","0.002","90","","2010.78","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 O2 P Se -","- C22 H27 O2 P Se -","- C88 H108 O8 P4 Se4 -","4","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0575","0.0552","","","0.1353","0.1362","","","","","","1.207","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061281","12.133","0.0002","12.3022","0.0002","16.7869","0.0003","81.197","0.001","87.715","0.001","72.921","0.002","2366.91","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H64 Cl O7 P2 Rh -","- C51 H64 Cl O7 P2 Rh -","- C102 H128 Cl2 O14 P4 Rh2 -","2","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0461","0.0417","","","0.1006","0.1024","","","","","","1.042","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061282","14.8441","0.0001","16.2144","0.0001","21.0762","0.0002","90","","100.122","0.001","90","","4993.84","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Cl6 O6 P2 Rh2 -","- C48 H58 Cl6 O6 P2 Rh2 -","- C192 H232 Cl24 O24 P8 Rh8 -","4","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0413","0.0375","","","0.0944","0.0961","","","","","","1.062","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061283","15.8601","0.0002","17.0706","0.0002","14.009","0.0001","90","","91.786","0.001","90","","3790.97","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 B0.25 P2 Se2 -","- C40 H54 P2 Se2 -","- C160 H216 P8 Se8 -","4","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0363","0.0337","","","0.0891","0.0927","","","","","","1.095","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061284","17.9319","0.0001","17.9552","0.0001","26.0142","0.0001","90","","90","","90","","8375.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H50 Cl5 O P2 Rh -","- C43 H50 Cl5 O P2 Rh -","- C344 H400 Cl40 O8 P16 Rh8 -","8","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.026","0.0248","","","0.0625","0.0631","","","","","","1.055","","","","has coordinates,has disorder","275003","2022-05-05","20:41:52",""
"7061285","17.57166","0.00018","14.50525","0.00017","9.46339","0.0001","90","","90","","90","","2412.04","0.05","149.98","0.1","149.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10.4 H14 O0.8 P0.4 Se0.4 -","- C10.4 H14 O0.8 P0.4 Se0.4 -","- C104 H140 O8 P4 Se4 -","10","2.5","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0252","0.0249","","","0.0654","0.0656","","","","","","1.047","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061286","18.17426","0.00013","26.26593","0.00015","8.98086","0.00005","90","","91.2638","0.0006","90","","4286.09","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H31 P Se -","- C24 H31 P Se -","- C192 H248 P8 Se8 -","8","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.027","0.0268","","","0.0699","0.0701","","","","","","1.06","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061287","9.6787","0.0001","13.3868","0.0001","16.7162","0.0002","90","","103.355","0.001","90","","2107.29","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 O3 P Se -","- C22 H25 O3 P Se -","- C88 H100 O12 P4 Se4 -","4","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0298","0.0292","","","0.0756","0.076","","","","","","1.111","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061288","12.087","0.0001","14.5363","0.0002","15.7989","0.0002","63.576","0.001","86.782","0.001","84.952","0.001","2475.77","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H70 Cl O5 P2 Rh -","- C53 H70 Cl O5 P2 Rh -","- C106 H140 Cl2 O10 P4 Rh2 -","2","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.0274","0.0265","","","0.0685","0.0691","","","","","","1.024","","","","has coordinates","275003","2022-05-05","20:41:52",""
"7061289","13.347","0.002","22.155","0.004","25.424","0.004","90","","99.205","0.003","90","","7421","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H41 K N4 O12 Zn2 -","- C59 H41 K N4 O12 Zn2 -","- C236 H164 K4 N16 O48 Zn8 -","4","0.5","","Jin, J. C.; Liu, X. Y.; Yang, G. P.; Hou, L.; Wang, Y. Y.","A microporous anionic metal–organic framework for aqueous encapsulation and highly reversible sensitization of light-emitting Tb3+ ions","New Journal of Chemistry","2022","46","11","5201","5205","10.1039/D1NJ02418C","","","0.71073","MoKα","","0.0951","0.0712","","","0.2233","0.2465","","","","","","1.059","","","","has coordinates,has disorder","275040","2022-05-05","20:48:38",""
"7061290","18.0928","0.0006","12.8348","0.0004","15.5435","0.0005","90","","112.282","0.001","90","","3339.95","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N8 O11 Zn2 -","- C28 H34 N8 O11 Zn2 -","- C112 H136 N32 O44 Zn8 -","4","0.5","","Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K.","Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","11","5296","5311","10.1039/D1NJ04786H","","","1.54178","CuKα","","0.0373","0.0373","","","0.1063","0.1063","","","","","","1.094","","","","has coordinates,has disorder","275038","2022-05-05","20:48:15",""
"7061291","8.1469","0.0002","9.2011","0.0003","12.4602","0.0004","91.826","0.001","94.303","0.001","104.442","0.001","900.72","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Mn N4 O6 -","- C16 H14 Mn N4 O6 -","- C32 H28 Mn2 N8 O12 -","2","1","","Sharma, Pranay; Baishya, Trishnajyoti; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Das, Jumi; Bhattacharyya, Manjit K.","Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn(ii) and polymeric Mn(ii) compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","11","5296","5311","10.1039/D1NJ04786H","","","1.54178","CuKα","","0.025","0.0239","","","0.0653","0.0661","","","","","","1.053","","","","has coordinates","275038","2022-05-05","20:48:15",""
"7061292","41.3959","0.0005","10.3962","0.0001","26.5419","0.0003","90","","121.695","0.001","90","","9719","0.2","100","0.1","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H85 N11 O20 S4 Zn6 -","- C102 H85 N11 O20 S4 Zn6 -","- C408 H340 N44 O80 S16 Zn24 -","4","0.5","","Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun","Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence","New Journal of Chemistry","2022","46","10","4800","4805","10.1039/D2NJ00200K","","","1.54184","CuKα","","0.036","0.0324","","","0.087","0.089","","","","","","1.072","","","","has coordinates","275004","2022-05-05","20:42:01",""
"7061293","8.8054","0.0001","9.7676","0.0001","26.3853","0.0003","90","","90.928","0.001","90","","2269.04","0.04","99.99","0.17","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C48 H38 N4 O10 S2 Zn3 -","- C48 H38 N4 O10 S2 Zn3 -","- C96 H76 N8 O20 S4 Zn6 -","2","0.5","","Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiang-Jun","Acetonitrile-induced structure fine-tuning of a trinuclear zinc complex showing multistimuli responsive luminescence","New Journal of Chemistry","2022","46","10","4800","4805","10.1039/D2NJ00200K","","","1.54184","CuKα","","0.0334","0.0312","","","0.0847","0.0859","","","","","","1.117","","","","has coordinates","275004","2022-05-05","20:42:01",""
"7061294","12.5535","0.0002","12.2303","0.0002","7.2491","0.0001","90","","90","","90","","1112.98","0.03","99.97","0.11","99.97","0.11","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0692","0.0697","","","","","","1.057","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061295","12.5855","0.0002","12.2723","0.0002","7.3106","0.0001","90","","90","","90","","1129.14","0.03","180","0.1","180","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0275","0.0269","","","0.0771","0.0777","","","","","","1.085","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061296","12.447","0.0003","12.3034","0.0003","7.4227","0.0002","90","","90","","90","","1136.72","0.05","260","0.1","260","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.89 H11.67 N2 O0.88 -","- C12.884 H11.652 N2 O0.882 -","- C51.536 H46.608 N8 O3.528 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0411","0.0367","","","0.1112","0.1173","","","","","","1.055","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061297","12.4276","0.0003","12.2735","0.0002","7.3763","0.0001","90","","90","","90","","1125.11","0.04","220.01","0.1","220.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.87 H11.61 N2 O0.88 -","- C12.868 H11.604 N2 O0.878 -","- C51.472 H46.416 N8 O3.512 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0356","0.033","","","0.1009","0.1039","","","","","","1.077","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061298","12.5682","0.0002","12.2501","0.0002","7.2778","0.0001","90","","90","","90","","1120.5","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0745","0.0751","","","","","","1.058","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061299","12.61","0.0002","12.3302","0.0003","7.3919","0.0001","90","","90","","90","","1149.32","0.04","260","0.1","260","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0314","0.0298","","","0.0924","0.0944","","","","","","1.07","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061300","12.4062","0.0003","12.2515","0.0003","7.3365","0.0001","90","","90","","90","","1115.11","0.04","180","0.1","180","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.86 H11.57 N2 O0.87 -","- C12.855 H11.565 N2 O0.873 -","- C51.42 H46.26 N8 O3.492 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0922","0.0946","","","","","","1.041","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061301","12.4634","0.0005","12.3362","0.0005","7.4618","0.0002","90","","90","","90","","1147.26","0.07","290","0.1","290","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.9 H11.7 N2 O0.88 -","- C12.902 H11.706 N2 O0.885 -","- C51.608 H46.824 N8 O3.54 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0485","0.0417","","","0.1305","0.1401","","","","","","1.037","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061302","12.6139","0.0003","12.3565","0.0004","7.4286","0.0002","90","","90","","90","","1157.85","0.06","290","0.1","290","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.036","0.0333","","","0.1","0.1033","","","","","","1.073","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061303","12.3562","0.0004","12.219","0.0003","7.2704","0.0002","90","","90","","90","","1097.69","0.05","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.84 H11.53 N2 O0.87 -","- C12.843 H11.529 N2 O0.871 -","- C51.372 H46.116 N8 O3.484 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0353","0.0345","","","0.1009","0.1018","","","","","","1.097","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061304","12.3815","0.0003","12.2324","0.0003","7.3018","0.0001","90","","90","","90","","1105.9","0.04","140.01","0.1","140.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12.85 H11.53 N2 O0.87 -","- C12.844 H11.532 N2 O0.872 -","- C51.376 H46.128 N8 O3.488 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0328","0.0313","","","0.091","0.0927","","","","","","1.065","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061305","12.6025","0.0002","12.2998","0.0002","7.3502","0.0001","90","","90","","90","","1139.34","0.03","220","0.1","220","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Griffiths, Kieran; Halcovitch, Nathan R.; Griffin, John M.","Crystalline azobenzene composites as photochemical phase-change materials","New Journal of Chemistry","2022","46","9","4057","4061","10.1039/D2NJ00755J","","x-ray","1.54184","CuKα","","0.0294","0.0283","","","0.0818","0.0835","","","","","","1.034","","","","has coordinates","273405","2022-03-04","22:21:43",""
"7061306","13.3668","0.0006","13.3668","0.0006","20.7353","0.001","90","","90","","120","","3208.5","0.3","293","","293","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H18 Co N4 O3 -","- C26 H18 Co N4 O3 -","- C156 H108 Co6 N24 O18 -","6","1","","Raj, Manaswini; Padhi, Sumanta Kumar","Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte","New Journal of Chemistry","2022","46","13","6027","6038","10.1039/D1NJ06003A","","x-ray","0.71073","MoKα","","0.0547","0.042","","","0.0965","0.1029","","","","","","1.0481","","","","has coordinates","275022","2022-05-05","20:45:08",""
"7061307","12.963","0.0008","15.6404","0.0008","25.9135","0.0014","90","","101.41","0.005","90","","5150","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H49.5 Co2 N8 O10.75 -","- C54 H46 Co2 N8 O10.75 -","- C216 H184 Co8 N32 O43 -","4","1","","Raj, Manaswini; Padhi, Sumanta Kumar","Electrocatalytic proton reduction by dinuclear cobalt complexes in a nonaqueous electrolyte","New Journal of Chemistry","2022","46","13","6027","6038","10.1039/D1NJ06003A","","x-ray","0.71073","MoKα","","0.0914","0.063","","","0.1548","0.1792","","","","","","1.023","","","","has coordinates","275022","2022-05-05","20:45:21",""
"7061308","14.3203","0.0006","11.9892","0.0012","11.4344","0.0017","90","","97.938","0.006","90","","1944.3","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","2","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","","0.71073","MoKα","","0.0461","0.0382","","","0.0952","0.0993","","","","","","1.04","","","","has coordinates","275000","2022-05-05","20:40:44",""
"7061309","8.0204","0.0004","9.7166","0.0005","16.0604","0.0008","83.198","0.004","89.949","0.004","82.176","0.004","1231.08","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H30 O5 -","- C31 H30 O5 -","- C62 H60 O10 -","2","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","","0.71073","MoKα","","0.0617","0.0485","","","0.118","0.1277","","","","","","1.034","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061310","7.7629","0.0002","17.002","0.0005","17.7065","0.0006","90","","90","","90","","2336.99","0.12","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","x-ray","1.54184","CuKα","","0.07","0.052","","","0.1321","0.1493","","","","","","1.066","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061311","9.1365","0.0007","10.0584","0.0007","13.1688","0.0009","101.064","0.006","106.529","0.006","104.988","0.006","1073.67","0.15","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10.4 O2 -","- C10 H10.4 O2 -","- C50 H52 O10 -","5","2.5","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","","0.71073","MoKα","","0.1183","0.0743","","","0.1782","0.2269","","","","","","1.053","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061312","17.361","0.0014","10.1907","0.0008","15.3314","0.001","90","","100.301","0.003","90","","2668.7","0.3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","","0.71073","MoKα","","0.0589","0.0399","","","0.0944","0.1049","","","","","","1.071","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061313","9.1036","0.0004","9.9813","0.0004","14.0392","0.0006","101.354","0.003","107.907","0.004","101.361","0.003","1143.89","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 Br O6 -","- C25 H23 Br O6 -","- C50 H46 Br2 O12 -","2","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","x-ray","0.71073","MoKα","","0.043","0.0344","","","0.0767","0.0817","","","","","","1.002","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061314","20.0353","0.0007","7.8785","0.0002","31.1858","0.0012","90","","97.267","0.004","90","","4883.1","0.3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O8 -","- C32 H24 O8 -","- C256 H192 O64 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","x-ray","1.54184","CuKα","","0.1109","0.0745","","","0.2063","0.2721","","","","","","1.014","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061315","15.311","0.004","15.311","0.004","18.692","0.007","90","","90","","90","","4382","2","200","2","200","2","","","","","","","","6","I 41","I 4bw","80","","","","- C21 H15 Cl4 Cu N O3 -","- C21 H15 Cl4 Cu N O3 -","- C168 H120 Cl32 Cu8 N8 O24 -","8","1","","Kumar, Sunil; Choudhary, Mukesh","Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease","New Journal of Chemistry","2022","46","10","4911","4926","10.1039/D2NJ00283C","","","1.54178","CuKα","","0.0528","0.052","","","0.1446","0.1461","","","","","","1.189","","","","has coordinates","275005","2022-05-05","20:42:16",""
"7061316","11.182","0.0008","12.5407","0.0009","12.5464","0.0009","93.388","0.003","96.567","0.003","93.588","0.002","1740.5","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H24 Br2 Cl2 Cu N2 O4 -","- C40 H24 Br2 Cl2 Cu N2 O4 -","- C80 H48 Br4 Cl4 Cu2 N4 O8 -","2","1","","Kumar, Sunil; Choudhary, Mukesh","Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease","New Journal of Chemistry","2022","46","10","4911","4926","10.1039/D2NJ00283C","","","1.54178","CuKα","","0.0345","0.032","","","0.0874","0.0892","","","","","","1.083","","","","has coordinates","275005","2022-05-05","20:42:17",""
"7061317","11.6727","0.0017","11.7539","0.0016","13.2143","0.0018","78.388","0.004","66.796","0.003","69.702","0.003","1558.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 N6 O2 -","- C38 H26 N6 O2 -","- C76 H52 N12 O4 -","2","1","","Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K.","The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions","New Journal of Chemistry","2022","46","12","5830","5838","10.1039/D2NJ00083K","","","0.71073","MoKα","","0.0895","0.051","","","0.1032","0.1128","","","","","","1.045","","","","has coordinates","275043","2022-05-05","20:49:30",""
"7061318","10.312","0.003","13.852","0.004","19.986","0.006","90","","91.231","0.008","90","","2854.2","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 N6 O2 -","- C36 H26 N6 O2 -","- C144 H104 N24 O8 -","4","1","","Yadav, Priyanka; Verma, Abhineet; Sharma, Vishal Prasad; Singh, Rashmi; Yadav, Tarun; Kumar, Ranjeet; Pal, Shiv; Gupta, Hariom; Saha, Satyen; Tewari, Ashish K.","The development of a robust folded scaffold as a fluorescent material using butylidine-linked pyridazinone-based systems via aromatic π⋯π stacking interactions","New Journal of Chemistry","2022","46","12","5830","5838","10.1039/D2NJ00083K","","","0.71073","MoKα","","0.1194","0.0563","","","0.0873","0.1044","","","","","","1.03","","","","has coordinates","275043","2022-05-05","20:49:41",""
"7061319","16.0603","0.0005","16.6212","0.0006","17.6984","0.0007","90","","92.069","0.002","90","","4721.4","0.3","149.99","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl F18 Fe2 N8 O4 P3 -","- C34 H54 Cl F18 Fe2 N8 O4 P3 -","- C136 H216 Cl4 F72 Fe8 N32 O16 P12 -","4","1","","do Nascimento, Juliana S.; de Sousa, Aurideia P.; Gondim, Ana C. S.; Sousa, Eduardo H. S.; Teixeira, Edson H.; do Nascimento Neto, Luiz Gonzaga; Bezerra, Beatriz Pinheiro; Ayala, Alejandro Pedro; Batista, Alzir A.; Vasconcelos, Igor F.; Oliveira, Francisco G. S.; Holanda, Alda K. M.","A binuclear Fe(iii)/quinizarin complex as a structural model for anthracycline drugs binding to iron","New Journal of Chemistry","2022","46","12","5515","5525","10.1039/D1NJ04087A","","","1.54178","CuKα","","0.1316","0.0856","","","0.2318","0.2747","","","","","","1.053","","","","has coordinates,has disorder","275046","2022-05-05","20:50:15",""
"7061320","5.9803","0.0005","7.9085","0.0007","13.5905","0.0012","88.056","0.007","87.341","0.007","70.216","0.008","604.06","0.1","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","1,3,3-trimethyl-2-oxabicycle[2.2.2]oct-5-yl acetate","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M.","Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives","New Journal of Chemistry","2022","46","12","5690","5704","10.1039/D2NJ00428C","","x-ray","0.71073","MoKα","","0.0918","0.0532","","","0.1222","0.1578","","","","","","1.003","","","","has coordinates","275045","2022-05-05","20:50:09",""
"7061321","7.6744","0.0004","19.7633","0.0009","10.3173","0.0006","90","","109.582","0.006","90","","1474.33","0.14","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,3-trimethyl-2-oxabicycle[2.2.2]oct-5,8-yl acetate","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Robles, Norma Lis; Lezama, José O. G.; Sankaran, Sankaran Venkatachalam; Thamotharan, Subbiah; Villecco, Margarita B.; Loandos, María del H.; Gil, Diego M.","Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives","New Journal of Chemistry","2022","46","12","5690","5704","10.1039/D2NJ00428C","","x-ray","0.71073","MoKα","","0.0907","0.0562","","","0.1401","0.1661","","","","","","1.01","","","","has coordinates","275045","2022-05-05","20:50:09",""
"7061322","5.4648","0.0008","10.4074","0.0017","10.6121","0.0019","82.244","0.014","81.501","0.014","78.883","0.013","582.19","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C24 H20 N4 O8 S2 -","2","1","","Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J.","Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity","New Journal of Chemistry","2022","46","13","6060","6067","10.1039/D2NJ00364C","","","0.71073","MoKα","","0.0852","0.0532","","","0.1107","0.1269","","","","","","1.017","","","","has coordinates","275019","2022-05-05","20:44:19",""
"7061323","7.394","0.003","8.345","0.003","8.843","0.004","62.78","0.04","71.92","0.03","80.61","0.03","461.1","0.4","119","2","119","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Fe N O6 -","- C8 H9 Fe N O6 -","- C16 H18 Fe2 N2 O12 -","2","1","","Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J.","Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity","New Journal of Chemistry","2022","46","13","6060","6067","10.1039/D2NJ00364C","","","0.71073","MoKα","","0.0412","0.0337","","","0.0756","0.0816","","","","","","1.082","","","","has coordinates","275019","2022-05-05","20:44:19",""
"7061324","8.761","0.001","10.3491","0.0014","14.86","0.002","90","","91.067","0.013","90","","1347.1","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Mn N2 O4 S -","- C12 H8 Mn N2 O4 S -","- C48 H32 Mn4 N8 O16 S4 -","4","1","","Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J.","Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity","New Journal of Chemistry","2022","46","13","6060","6067","10.1039/D2NJ00364C","","","0.71073","MoKα","","0.1082","0.0953","","","0.2591","0.2668","","","","","","1.116","","","","has coordinates,has disorder","275019","2022-05-05","20:44:19",""
"7061325","22.248","0.003","25.89","0.003","17.197","0.002","90","","97.589","0.004","90","","9819","2","173","","173","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C81 H105 N7 O30 Zn4 -","- C60 H52 O21 Zn4 -","- C240 H208 O84 Zn16 -","4","0.5","","Wu, Ya-Meng; Zhao, Pei-Chen; Jia, Bin; Li, Zhe; Yuan, Shuai; Li, Cheng-Hui","A silver-functionalized metal–organic framework with effective antibacterial activity","New Journal of Chemistry","2022","46","13","5922","5926","10.1039/D1NJ06183F","","x-ray","0.71073","MoKα","","0.12","0.0989","","","0.2284","0.2383","","","","","","1.041","","","","has coordinates,has disorder","275023","2022-05-05","20:45:36",""
"7061326","10.656","0.002","17.374","0.003","20.131","0.004","90","","90","","90","","3727","1.2","291.15","","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 Cu I N2 P2 -","- C43 H32 Cu I N2 P2 -","- C172 H128 Cu4 I4 N8 P8 -","4","1","","Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin","Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions","New Journal of Chemistry","2022","46","13","6185","6192","10.1039/D2NJ00318J","","","0.71073","MoKα","","0.033","0.0234","","","0.0467","0.0498","","","","","","1.0554","","","","has coordinates","275020","2022-05-05","20:44:48",""
"7061327","10.6373","0.0018","17.157","0.003","19.959","0.003","90","","90","","90","","3642.6","1","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 Br Cu N2 P2 -","- C43 H32 Br Cu N2 P2 -","- C172 H128 Br4 Cu4 N8 P8 -","4","1","","Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin","Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions","New Journal of Chemistry","2022","46","13","6185","6192","10.1039/D2NJ00318J","","","0.71073","MoKα","","0.0527","0.0305","","","0.06","0.0657","","","","","","1.022","","","","has coordinates","275020","2022-05-05","20:44:48",""
"7061328","18.975","0.004","11.948","0.002","17.49","0.003","90","","113.44","","90","","3638","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H34.25 Cl Cu N2.75 P2 -","- C43 H32 Cl Cu N2 P2 -","- C172 H128 Cl4 Cu4 N8 P8 -","4","1","","Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin","Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions","New Journal of Chemistry","2022","46","13","6185","6192","10.1039/D2NJ00318J","","","0.71073","MoKα","","0.0997","0.0436","","","0.107","0.1328","","","","","","1.017","","","","has coordinates,has disorder","275020","2022-05-05","20:44:48",""
"7061329","10.3312","0.0006","11.7235","0.0006","11.9422","0.0006","99.9553","0.0018","105.458","0.0019","97.7123","0.0019","1348.12","0.13","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1-(2,3-Diphenyl-1H-indol-7-yl)-3-phenoxypropan-2-yl acetate","","- C31 H27 N O3 -","- C31 H27 N O3 -","- C62 H54 N2 O6 -","2","1","","Thombal, Raju S.; Aslam, Mohammad; Mohandoss, Sonaimuthu; Lee, Yong Rok","Rhodium-catalyzed cascade C–H activation/annulation/1,6-acyl migration: direct construction of free N–H indoles under mild conditions","New Journal of Chemistry","2022","46","13","6126","6133","10.1039/D2NJ00508E","","","0.71073","MoKα","","0.0911","0.0549","","","0.1313","0.1541","","","","","","1.038","","","","has coordinates","275021","2022-05-05","20:44:56",""
"7061330","18.684","0.002","11.9988","0.0014","10.0984","0.001","90","","90","","90","","2263.9","0.4","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 As2 N4 Pb -","- C16 H35 As2 N4 Pb -","- C64 H140 As8 N16 Pb4 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0363","0.0316","","","0.0776","0.0794","","","","","","1.071","","","","has coordinates,has disorder","275032","2022-05-05","20:47:14",""
"7061331","10.271","0.0006","7.6001","0.0004","13.5989","0.0008","90","","108.617","0.006","90","","1005.99","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C46 H42 Cu2 N6 O10 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0498","0.0359","","","0.081","0.091","","","","","","1.06","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061332","9.8103","0.0003","5.9728","0.0002","19.254","0.0005","90","","98.697","0.003","90","","1115.22","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cu N4 O6 -","- C24 H26 Cu N4 O6 -","- C48 H52 Cu2 N8 O12 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","","1.54184","CuKα","","0.0368","0.0308","","","0.0805","0.0862","","","","","","1.051","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061333","11.3901","0.0005","12.802","0.0006","13.0487","0.0006","66.301","0.004","70.763","0.004","87.575","0.004","1636.01","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Cu N5 O7 -","- C32 H45 Cu N5 O7 -","- C64 H90 Cu2 N10 O14 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0791","0.049","","","0.0969","0.1109","","","","","","1.019","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061334","6.063","0.0003","10.1393","0.0004","10.9316","0.0004","87.176","0.003","84.072","0.003","88.091","0.003","667.34","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","1","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.0388","0.0358","","","0.0908","0.0934","","","","","","1.031","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061335","4.8617","0.0002","13.5497","0.0005","12.2556","0.0004","90","","96.467","0.003","90","","802.2","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0301","0.0263","","","0.0685","0.0711","","","","","","1.048","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061336","9.6201","0.0006","23.1763","0.0018","11.8397","0.0011","90","","99.147","0.007","90","","2606.2","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 Cu2 N4 O6 -","- C26 H28 Cu2 N4 O6 -","- C104 H112 Cu8 N16 O24 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0993","0.0571","","","0.1049","0.1214","","","","","","1.031","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061337","8.1133","0.0004","10.3368","0.0005","12.0359","0.0005","81.03","0.004","83.371","0.004","72.014","0.004","945.89","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Cu N6 O8 -","- C36 H56 Cu N6 O8 -","- C36 H56 Cu N6 O8 -","1","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0402","0.0336","","","0.0836","0.0877","","","","","","1.056","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061338","8.8642","0.0006","10.1622","0.0006","13.7176","0.0008","106.14","0.005","93.452","0.005","115.573","0.006","1047.28","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C46 H42 Cu2 N6 O10 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0446","0.0367","","","0.0795","0.084","","","","","","1.094","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061339","10.0507","0.0004","11.552","0.0005","12.1515","0.0006","82.366","0.004","83.857","0.004","81","0.004","1375.77","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu2 N4 O8 -","- C26 H32 Cu2 N4 O8 -","- C52 H64 Cu4 N8 O16 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","","0.71073","MoKα","","0.0486","0.0368","","","0.084","0.0909","","","","","","1.071","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061340","10.3764","0.0005","7.5417","0.0004","13.4913","0.0006","90","","107.782","0.005","90","","1005.33","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C46 H42 Cu2 N6 O10 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.0373","0.0345","","","0.0946","0.0974","","","","","","1.081","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061341","11.0057","0.0003","11.4891","0.0004","12.6324","0.0004","81.107","0.003","79.836","0.003","73.162","0.003","1495.73","0.09","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C29 H39 Cu N5 O7 -","- C29 H39 Cu N5 O7 -","- C58 H78 Cu2 N10 O14 -","2","2","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0551","0.044","","","0.099","0.1079","","","","","","1.033","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061342","13.8822","0.0004","8.3669","0.0002","18.7238","0.0005","90","","111.589","0.003","90","","2022.22","0.1","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C92 H84 Cu4 N12 O20 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.033","0.0322","","","0.0896","0.0904","","","","","","1.077","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061343","7.312","0.0004","20.7381","0.0011","8.8408","0.0004","90","","98.162","0.005","90","","1327.01","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu2 N4 O6 -","- C28 H32 Cu2 N4 O6 -","- C56 H64 Cu4 N8 O12 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0658","0.0445","","","0.1106","0.1241","","","","","","1.022","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061344","19.2147","0.0005","7.9105","0.0002","14.0321","0.0004","90","","107.901","0.003","90","","2029.6","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C92 H84 Cu4 N12 O20 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","","1.54184","CuKα","","0.0341","0.0307","","","0.0826","0.0852","","","","","","1.056","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061345","5.841","0.0003","9.7548","0.0004","11.6529","0.0005","92.222","0.004","91.154","0.004","91.002","0.004","663.21","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","1","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.0427","0.0372","","","0.0974","0.1016","","","","","","1.041","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061346","5.6066","0.0003","10.4353","0.0006","11.283","0.0007","104.885","0.005","95.48","0.005","99.643","0.004","622.28","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cu N4 O6 -","- C26 H30 Cu N4 O6 -","- C26 H30 Cu N4 O6 -","1","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.035","0.034","","","0.0921","0.0933","","","","","","1.047","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061347","9.3197","0.0004","12.5306","0.0007","14.6852","0.0007","106.796","0.005","94.775","0.004","110.018","0.004","1510.65","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Cu N5 O7 -","- C29 H39 Cu N5 O7 -","- C58 H78 Cu2 N10 O14 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.0617","0.0452","","","0.1121","0.1234","","","","","","1.017","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061348","14.1491","0.0005","21.7604","0.0009","23.6679","0.0009","110.376","0.004","100.665","0.003","91.832","0.003","6676.3","0.5","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Cu N5 O7 -","- C32 H45 Cu N5 O7 -","- C256 H360 Cu8 N40 O56 -","8","4","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.1656","0.0684","","","0.1354","0.1749","","","","","","1.014","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061349","7.4853","0.0003","14.1745","0.0006","14.3105","0.0006","88.622","0.003","76.298","0.004","82.897","0.003","1463.8","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Cu N5 O7 -","- C29 H39 Cu N5 O7 -","- C58 H78 Cu2 N10 O14 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0504","0.0379","","","0.0951","0.1047","","","","","","1.052","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061350","12.0521","0.0004","12.0235","0.0003","14.0783","0.0006","90","","110.038","0.004","90","","1916.57","0.12","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cu2 N6 O10 -","- C34 H54 Cu2 N6 O10 -","- C68 H108 Cu4 N12 O20 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0405","0.0282","","","0.0627","0.0677","","","","","","1.075","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061351","10.9996","0.0004","12.072","0.0003","12.87","0.0004","90","","107.881","0.003","90","","1626.42","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cu2 N4 O10 -","- C30 H44 Cu2 N4 O10 -","- C60 H88 Cu4 N8 O20 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","","0.71073","MoKα","","0.0327","0.0264","","","0.0634","0.0674","","","","","","1.073","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061352","9.5521","0.0005","10.162","0.0005","14.8273","0.001","72.689","0.005","75.638","0.005","66.35","0.005","1244.96","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cu2 N4 O6 -","- C26 H28 Cu2 N4 O6 -","- C52 H56 Cu4 N8 O12 -","2","1","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0487","0.0337","","","0.0745","0.0827","","","","","","1.044","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061353","10.238","0.0003","12.0196","0.0004","12.4708","0.0004","90","","101.731","0.003","90","","1502.56","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cu2 N6 O6 -","- C30 H34 Cu2 N6 O6 -","- C60 H68 Cu4 N12 O12 -","2","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.0345","0.0312","","","0.0823","0.086","","","","","","1.04","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061354","11.0877","0.0009","11.2881","0.0009","11.6866","0.001","90","","107.768","0.0018","90","","1392.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Spot 3","","","- C6 H6 Br N O2 -","- C6 H6 Br N O2 -","- C48 H48 Br8 N8 O16 -","8","1","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","","0.71073","MoKα","","0.0262","0.0196","","","0.0464","0.0485","","","","","","1.025","","","","has coordinates","275048","2022-05-05","20:50:48",""
"7061355","11.741","0.0018","11.4272","0.0017","14.676","0.002","90","","108.466","0.006","90","","1867.6","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N2 O7 -","- C17 H26 N2 O7 -","- C68 H104 N8 O28 -","4","1","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","x-ray","0.71073","MoKα","","0.0485","0.037","","","0.088","0.094","","","","","","1.043","","","","has coordinates","275048","2022-05-05","20:50:55",""
"7061356","11.191","0.0002","11.9815","0.0002","21.8035","0.0004","90","","90.517","0.001","90","","2923.4","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","JHY-NS6-E","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C120 H160 N16 O16 -","8","2","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","","1.54178","CuKα","","0.0453","0.0376","","","0.0939","0.0997","","","","","","1.03","","","","has coordinates,has disorder","275048","2022-05-05","20:50:55",""
"7061357","7.75","0.001","15.783","0.002","16.094","0.002","106.502","0.005","96.507","0.005","99.23","0.005","1836.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 B N2 Si2 -","- C38 H53 B N2 Si2 -","- C76 H106 B2 N4 Si4 -","2","1","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","x-ray","0.71073","MoKα","","0.0507","0.0382","","","0.0909","0.0973","","","","","","1.043","","","","has coordinates","275048","2022-05-05","20:50:55",""
"7061358","9.8399","0.0002","14.8436","0.0003","10.9447","0.0002","90","","104.381","0.0011","90","","1548.49","0.05","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 N4 -","- C40 H34 N4 -","- C80 H68 N8 -","2","0.5","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","","0.7107","MoKα","","0.0553","0.0421","","","0.1181","0.127","","","","","","1.025","","","","has coordinates","275048","2022-05-05","20:50:55",""
"7061359","20.0268","0.0006","20.0268","0.0006","14.4186","0.0005","90","","90","","120","","5008.1","0.3","173","","173","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 Br2 N4 -","- C24 H24 Br2 N4 -","- C216 H216 Br18 N36 -","9","0.5","","Jing, Haoyu; Wang, Pengzhi; Chen, Boyang; Jiang, Jianbing; Vairaprakash, Pothiappan; Liu, Sijia; Rong, Jie; Chen, Chih-Yuan; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of bacteriochlorins bearing diverse β-substituents","New Journal of Chemistry","2022","46","12","5534","5555","10.1039/D1NJ05852E","","","0.7107","MoKα","","0.0515","0.0339","","","0.0753","0.0827","","","","","","1.045","","","","has coordinates","275048","2022-05-05","20:50:55",""
"7061360","21.1405","0.0007","17.9407","0.0005","22.1292","0.0007","90","","90","","90","","8393.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H45 Cl N6 O10 Zn -","- C43 H45 Cl N6 O10 Zn -","- C344 H360 Cl8 N48 O80 Zn8 -","8","1","","Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K.","Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","12","5638","5652","10.1039/D1NJ05234A","","","1.54178","CuKα","","0.045","0.0439","","","0.115","0.1159","","","","","","1.094","","","","has coordinates,has disorder","275042","2022-05-05","20:49:12",""
"7061361","16.7802","0.0015","18.5879","0.0016","13.4134","0.0012","90","","113.467","0.002","90","","3837.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 Cl N4 O6 Zn -","- C45 H33 Cl N4 O6 Zn -","- C180 H132 Cl4 N16 O24 Zn4 -","4","0.5","","Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K.","Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","12","5638","5652","10.1039/D1NJ05234A","","","1.54178","CuKα","","0.1248","0.1243","","","0.3147","0.3151","","","","","","1.082","","","","has coordinates","275042","2022-05-05","20:49:20",""
"7061362","24.5331","0.0014","12.5457","0.0007","22.6949","0.0014","90","","106.551","0.002","90","","6695.7","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H69 Dy2 N4 O25 Zn2 -","- C64 H72 Dy2 N4 O25 Zn2 -","- C256 H288 Dy8 N16 O100 Zn8 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0348","0.0247","","","0.0494","0.0545","","","","","","1.105","","","","has coordinates,has disorder","275044","2022-05-05","20:49:58",""
"7061363","14.2508","0.0006","9.3792","0.0004","19.5878","0.0008","90","","90","","90","","2618.13","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0767","0.0415","","","0.1012","0.1229","","","","","","1.024","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061364","8.8905","0.0003","10.3802","0.0003","17.6535","0.0005","90","","90","","90","","1629.16","0.09","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0569","0.0423","","","0.1108","0.1223","","","","","","1.024","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061365","14.3608","0.0004","20.9814","0.0006","30.9223","0.0009","90","","90","","90","","9317.2","0.5","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H88 Dy4 N6 O23 -","- C90 H82 Dy4 N6 O20 -","- C360 H328 Dy16 N24 O80 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0456","0.0309","","","0.0648","0.0724","","","","","","1.212","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061366","7.601","0.002","9.536","0.002","11.912","0.002","101.98","0.02","104.86","0.02","97.03","0.02","802.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H8 I5 N2 S -","- C5 H8 I5 N2 S -","- C10 H16 I10 N4 S2 -","2","1","","Garau, Alessandra; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pivetta, Tiziana","A new assembly of diiodine molecules at the 1,3-dimethylimidazole-2-thione (Me2ImS) template: crystal structure of (Me2ImS)2·(I2)5","New Journal of Chemistry","2022","46","15","6870","6877","10.1039/D2NJ00526C","","","0.71073","MoKα","","0.0383","0.0284","","","0.0807","0.0841","","","","","","1.124","","","","has coordinates","275031","2022-05-05","20:46:49",""
"7061367","8.7467","0.0004","11.3654","0.0005","17.6409","0.0009","90","","90","","90","","1753.68","0.14","300","","300","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Cl5 N2 O2 Sb -","- C8 H20 Cl5 N2 O2 Sb -","- C32 H80 Cl20 N8 O8 Sb4 -","4","1","","Zhuang, Jia-Chang; Tan, Yui-Hui; Fan, Xiao-Wei; Tang, Yun-Zhi; Song, Ning; Zhang, Yi-Hua; Zhang, Hao; Chen, Shao-Peng","A 1D chiral infinite chain organic metal halide hybrid with excellent SHG switching and moderate spontaneous polarization","New Journal of Chemistry","2022","46","15","7103","7107","10.1039/D2NJ00303A","","","0.71073","MoKα","","0.1032","0.0877","","","0.2589","0.2891","","","","","","1.153","","","","has coordinates","275029","2022-05-05","20:46:39",""
"7061368","6.9576","0.0001","8.7932","0.0002","12.4732","0.0002","106.094","0.0006","105.084","0.0006","98.5367","0.0006","687.64","0.02","100","2","100","2","","","","","","","","3","P -1","-P 1","2","VP-17","","","- C36 H34 N4 -","- C36 H34 N4 -","- C36 H34 N4 -","1","0.5","","Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S.","Meso bromination and derivatization of synthetic bacteriochlorins","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05853C","","","1.54178","CuKα","","0.0357","0.0349","","","0.0859","0.0865","","","","","","1.036","","","","has coordinates","273544","2022-03-09","01:18:10",""
"7061369","6.9814","0.0003","9.721","0.0005","11.6464","0.0005","75.978","0.003","85.771","0.002","75.899","0.003","743.65","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","TS-16","","","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","- C34 H42 N4 O4 -","1","0.5","","Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S.","Meso bromination and derivatization of synthetic bacteriochlorins","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05853C","","","0.71073","MoKα","","0.0635","0.044","","","0.1093","0.1202","","","","","","1.044","","","","has coordinates","273544","2022-03-09","01:18:10",""
"7061370","13.1157","0.0003","13.2742","0.0004","29.9769","0.0008","90","","90","","90","","5219","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H30 B N O6 S2 -","- C26 H30 B N O6 S2 -","- C208 H240 B8 N8 O48 S16 -","8","1","","Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S.","Meso bromination and derivatization of synthetic bacteriochlorins","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05853C","","x-ray","1.54178","CuKα","","0.0741","0.0692","","","0.1753","0.1782","","","","","","1.214","","","","has coordinates","273544","2022-03-09","01:18:11",""
"7061371","13.9883","0.0003","11.3135","0.0003","20.501","0.0005","90","","92.528","0.001","90","","3241.26","0.14","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EtEs","","","- C35 H44 N4 O5 -","- C35 H44 N4 O5 -","- C140 H176 N16 O20 -","4","1","","Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S.","Meso bromination and derivatization of synthetic bacteriochlorins","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05853C","","","0.71073","MoKα","","0.0692","0.0479","","","0.1173","0.1296","","","","","","1.023","","","","has coordinates,has disorder","273544","2022-03-09","01:18:11",""
"7061372","9.0562","0.0005","11.4544","0.001","13.3288","0.0009","107.53","0.007","98.155","0.005","110.522","0.006","1186.42","0.18","149.98","0.1","149.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O4 -","- C32 H24 N2 O4 -","- C64 H48 N4 O8 -","2","1","","Su, Ruige; Zhao, Yuling; Liu, Shiqiang; Li, Peiying; Ma, Jiaying; Zhang, Di; Han, Minghu; Yu, Tianzhi","Synthesis and luminescence properties of functionalized V-shaped bis-coumarin derivatives","New Journal of Chemistry","2022","46","14","6793","6803","10.1039/D1NJ05960B","","x-ray","0.71073","MoKα","","0.0683","0.0476","","","0.1017","0.1158","","","","","","1.038","","","","has coordinates,has disorder","275028","2022-05-05","20:46:30",""
"7061373","8.8783","0.0004","11.3767","0.0008","14.1297","0.001","111.832","0.005","107.85","0.005","91.341","0.005","1245.71","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N2 O4 S -","- C32 H24 N2 O4 S -","- C64 H48 N4 O8 S2 -","2","1","","Su, Ruige; Zhao, Yuling; Liu, Shiqiang; Li, Peiying; Ma, Jiaying; Zhang, Di; Han, Minghu; Yu, Tianzhi","Synthesis and luminescence properties of functionalized V-shaped bis-coumarin derivatives","New Journal of Chemistry","2022","46","14","6793","6803","10.1039/D1NJ05960B","","x-ray","1.54184","CuKα","","0.0838","0.0778","","","0.252","0.2552","","","","","","1.199","","","","has coordinates,has disorder","275028","2022-05-05","20:46:30",""
"7061374","16.8439","0.0012","8.1225","0.0006","29.795","0.002","90","","97.644","0.007","90","","4040.2","0.5","130","2","130","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C128 H152 N24 O16 -","8","2","","Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.","Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups","New Journal of Chemistry","2022","46","13","5996","6008","10.1039/D1NJ05699A","","","0.71073","MoKα","","0.0677","0.0501","","","0.1219","0.1344","","","","","","1.026","","","","has coordinates","275024","2022-05-05","20:45:44",""
"7061375","17.9651","0.0013","7.7876","0.0004","23.1518","0.0016","90","","90.81","0.006","90","","3238.7","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl4 N6 O5 -","- C28 H28 Cl4 N6 O5 -","- C112 H112 Cl16 N24 O20 -","4","1","","Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.","Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups","New Journal of Chemistry","2022","46","13","5996","6008","10.1039/D1NJ05699A","","","0.71073","MoKα","","0.1038","0.0656","","","0.1682","0.1931","","","","","","1.039","","","","has coordinates,has disorder","275024","2022-05-05","20:45:47",""
"7061376","7.259","0.004","7.067","0.004","8.126","0.004","90","","101.221","0.015","90","","408.9","0.4","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C5 H5 N3 O7 -","- C5 H5 N3 O7 -","- C10 H10 N6 O14 -","2","0.5","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0901","0.0609","","","0.1282","0.1395","","","","","","1.06","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7061377","7.2036","0.0005","7.0213","0.0005","8.3381","0.0005","90","","104.364","0.002","90","","408.55","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N4 O7 -","- C5 H6 N4 O7 -","- C10 H12 N8 O14 -","2","1","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0342","0.03","","","0.0777","0.0799","","","","","","1.081","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7061378","14.319","0.002","9.3621","0.0014","6.8195","0.0009","90","","90","","90","","914.2","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H8 N4 O7 -","- C5 H8 N4 O7 -","- C20 H32 N16 O28 -","4","1","","Wang, Qian; Lu, Ming","Carbon skeleton: route to investigate high-performance insensitive energetic materials","New Journal of Chemistry","2022","46","14","6690","6693","10.1039/D1NJ05168G","","","0.71073","MoKα","","0.0621","0.0382","","","0.0828","0.0907","","","","","","1.043","","","","has coordinates","275027","2022-05-05","20:46:24",""
"7061379","12.8317","0.0007","15.1524","0.0011","11.1111","0.0007","90","","95.503","0.006","90","","2150.4","0.2","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Co N4 O9 S -","- C18 H22 Co N4 O9 S -","- C72 H88 Co4 N16 O36 S4 -","4","1","","Qin, Ling; Zheng, Qi-Ming; Liu, Jin-Liang; Zhou, Xiao-Yan; Wang, Yan-Qing; Zhang, Ming-Dao","Structural regulation of Co-based coordination polymers by adjusting solvent polarity toward electrocatalytic hydrogen evolution performance","New Journal of Chemistry","2022","46","16","7355","7365","10.1039/D2NJ00945E","","","0.71073","MoKα","","0.0616","0.043","","","0.0817","0.0907","","","","","","1.0464","","","","has coordinates","275018","2022-05-05","20:44:13",""
"7061380","10.0734","0.0009","10.2855","0.0012","10.6942","0.0012","108.489","0.01","108.478","0.009","105.102","0.009","912.8","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Co N4 O5 S -","- C18 H14 Co N4 O5 S -","- C36 H28 Co2 N8 O10 S2 -","2","1","","Qin, Ling; Zheng, Qi-Ming; Liu, Jin-Liang; Zhou, Xiao-Yan; Wang, Yan-Qing; Zhang, Ming-Dao","Structural regulation of Co-based coordination polymers by adjusting solvent polarity toward electrocatalytic hydrogen evolution performance","New Journal of Chemistry","2022","46","16","7355","7365","10.1039/D2NJ00945E","","","0.71073","MoKα","","0.0754","0.05","","","0.0829","0.0983","","","","","","1.063","","","","has coordinates","275018","2022-05-05","20:44:13",""
"7061381","11.0618","0.0008","16.0358","0.0008","12.142","0.0009","90","","107.326","0.008","90","","2056.1","0.3","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Co N5 O5 S -","- C21 H19 Co N5 O5 S -","- C84 H76 Co4 N20 O20 S4 -","4","1","","Qin, Ling; Zheng, Qi-Ming; Liu, Jin-Liang; Zhou, Xiao-Yan; Wang, Yan-Qing; Zhang, Ming-Dao","Structural regulation of Co-based coordination polymers by adjusting solvent polarity toward electrocatalytic hydrogen evolution performance","New Journal of Chemistry","2022","46","16","7355","7365","10.1039/D2NJ00945E","","","0.71073","MoKα","","0.0662","0.0455","","","0.0777","0.0856","","","","","","1.0507","","","","has coordinates,has disorder","275018","2022-05-05","20:44:13",""
"7061382","22.7024","0.0011","22.7024","0.0011","24.4575","0.0013","90","","90","","120","","10916.6","0.9","193","2","193","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C91 H90 N31 Ni2 O4 -","- C75 H54 N27 Ni2 -","- C225 H162 N81 Ni6 -","3","0.333333","","Huang, Jie-Fen; Hu, Hao-Chen; Deng, Shu-Qi; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang; Zheng, Sheng-Run","A Ni(ii) metal–organic framework with helical channels for the capture of iodine via guest exchange induced amorphization","New Journal of Chemistry","2022","46","15","7144","7152","10.1039/D1NJ06140B","","","1.34139","GaKα","","0.0439","0.0363","","","0.1003","0.1033","","","","","","0.988","","","","has coordinates,has disorder","275037","2022-05-05","20:48:05",""
"7061383","7.5986","0.0013","6.1021","0.001","14.11","0.002","90","","96.293","0.006","90","","650.3","0.18","100.15","","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H15 N -","- C19 H15 N -","- C38 H30 N2 -","2","1","","Sarkar, Rumpa; Samanta, Surya Kanta; Hasija, Avantika; Chopra, Deepak; Ganguly, Debabani; Bera, Mrinal K.","A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration","New Journal of Chemistry","2022","46","15","7168","7176","10.1039/D1NJ05196B","","","0.71073","MoKα","","0.1294","0.0636","","","0.0901","0.1074","","","","","","1.032","","","","has coordinates,has disorder","275034","2022-05-05","20:47:34",""
"7061384","8.283","0.004","8.309","0.004","9.834","0.005","81.847","0.012","84.967","0.012","61.229","0.012","587.1","0.5","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Sarkar, Rumpa; Samanta, Surya Kanta; Hasija, Avantika; Chopra, Deepak; Ganguly, Debabani; Bera, Mrinal K.","A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration","New Journal of Chemistry","2022","46","15","7168","7176","10.1039/D1NJ05196B","","","0.71073","MoKα","","0.1721","0.1125","","","0.2782","0.3291","","","","","","1.043","","","","has coordinates","275034","2022-05-05","20:47:35",""
"7061385","41.902","0.004","12.785","0.0008","15.3738","0.0009","90","","90","","90","","8236","1.1","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C56 H73 Cu Mo5 N4 O24 S6 -","- C56 H65 Cu Mo5 N4 O22 S6 -","- C224 H260 Cu4 Mo20 N16 O88 S24 -","4","0.5","","Ma, Le; Guo, Feifan; Ma, Jian-Fang","Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions","New Journal of Chemistry","2022","46","15","6995","7002","10.1039/D2NJ00290F","","","0.71073","MoKα","","0.1523","0.1218","","","0.2637","0.283","","","","","","1.129","","","","has coordinates","275036","2022-05-05","20:47:55",""
"7061386","40.8437","0.0011","12.7317","0.0007","15.4261","0.0007","90","","90","","90","","8021.7","0.6","293","2","293","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C58 H76.5 Cu N4 O28 P0.5 S6 W6 -","- C56 H70.16 Cu N4 O26 P0.5 S6 W6 -","- C224 H280.64 Cu4 N16 O104 P2 S24 W24 -","4","0.5","","Ma, Le; Guo, Feifan; Ma, Jian-Fang","Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions","New Journal of Chemistry","2022","46","15","6995","7002","10.1039/D2NJ00290F","","","0.71073","MoKα","","0.1318","0.1138","","","0.2321","0.2414","","","","","","1.106","","","","has coordinates,has disorder","275036","2022-05-05","20:47:55",""
"7061387","7.0463","0.0004","10.8325","0.0007","15.8212","0.0015","92.2","0.007","101.856","0.007","108.128","0.006","1116.38","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl N2 O6 -","- C24 H23 Cl N2 O6 -","- C48 H46 Cl2 N4 O12 -","2","1","","Zhang, Lei; Liu, Ren-Ming; Wang, Wei-Na; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","3-Vinyl oxindole-chromone synthon as a skeletal reconstruction reactant for the synthesis of 2-hydroxy benzoyl pyridones","New Journal of Chemistry","2022","46","12","5474","5478","10.1039/D1NJ06112G","","x-ray","0.71073","MoKα","","0.109","0.0883","","","0.2324","0.2447","","","","","","1.042","","","","has coordinates","275001","2022-05-05","20:41:02",""
"7061388","9.3858","0.0003","25.0398","0.0005","9.6706","0.0002","90","","109.796","0.003","90","","2138.46","0.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","1","","Zhang, Lei; Liu, Ren-Ming; Wang, Wei-Na; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","3-Vinyl oxindole-chromone synthon as a skeletal reconstruction reactant for the synthesis of 2-hydroxy benzoyl pyridones","New Journal of Chemistry","2022","46","12","5474","5478","10.1039/D1NJ06112G","","x-ray","1.54184","CuKα","","0.043","0.039","","","0.0997","0.1025","","","","","","1.063","","","","has coordinates","275001","2022-05-05","20:41:07",""
"7061389","9.2381","0.0002","15.2301","0.0004","15.722","0.0004","90","","106.586","0.003","90","","2120","0.1","173","0.1","173","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H27 Cl Co F4 N P3 -","- C14 H27 Cl Co F4 N P3 -","- C56 H108 Cl4 Co4 F16 N4 P12 -","4","1","","Huang, Wei; Lu, Jiahui; Fan, Qingqing; Li, Xiaoyan; Hinz, Alexander; Sun, Hongjian","Synthesis of aryl cobalt and iron complexes and their catalytic activity on hydrosilylation of alkenes","New Journal of Chemistry","2022","46","16","7512","7521","10.1039/D1NJ06133J","","","1.54184","CuKα","","0.0322","0.0308","","","0.0753","0.076","","","","","","1.029","","","","has coordinates,has disorder","275016","2022-05-05","20:43:48",""
"7061390","8.9999","0.0002","10.1154","0.0002","26.2786","0.0005","90","","98.292","0.0018","90","","2367.33","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 F4 Fe N P4 -","- C17 H36 F4 Fe N P4 -","- C68 H144 F16 Fe4 N4 P16 -","4","1","","Huang, Wei; Lu, Jiahui; Fan, Qingqing; Li, Xiaoyan; Hinz, Alexander; Sun, Hongjian","Synthesis of aryl cobalt and iron complexes and their catalytic activity on hydrosilylation of alkenes","New Journal of Chemistry","2022","46","16","7512","7521","10.1039/D1NJ06133J","","","1.54184","CuKα","","0.0492","0.0442","","","0.1082","0.1108","","","","","","1.055","","","","has coordinates,has disorder","275016","2022-05-05","20:43:49",""
"7061391","20.723","0.005","13.892","0.005","11.255","0.005","90","0.005","122.265","0.005","90","0.005","2739.8","1.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H34 Cl4 Co2 N24 O22 -","- C36 H34 Cl4 Co2 N24 O22 -","- C72 H68 Cl8 Co4 N48 O44 -","2","0.5","","Dai, Xin; Jin, Xian-Yi; Gao, Rui-Han; Ge, Qing-Mei; Chen, Kai; Jiang, Nan; Cong, Hang; Tao, Zhu; Liu, Mao","Controllable synthesis of Co nanoparticles with the assistance of cucurbit[6]uril and its efficient photoelectrochemical catalysis in water splitting on a g-C3N4 photoanode","New Journal of Chemistry","2022","46","14","6738","6746","10.1039/D2NJ00036A","","","0.71069","MoKα","","0.172","0.1539","","","0.34","0.3481","","","","","","1.025","","","","has coordinates","275025","2022-05-05","20:45:54",""
"7061392","13.4521","0.0016","14.1057","0.0017","14.1605","0.0017","90","","90","","92.405","0.004","2684.6","0.6","299","2","299.03","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O8 S2 -","- C60 H58 N2 O8 S2 -","- C120 H116 N4 O16 S4 -","2","1","","Wang, Zexin; Chen, Liwei; Lin, Xiang; Liu, Wei; Han, Jun; Chen, Nannan; Jiang, Hong; Sun, Shitao; Li, Zhenli; Hao, Jinle; Lin, Bin; Li, Renfu; Chen, Xueyuan; Zhai, Xin; Xie, Lijun","Development of a new type of multi-functional mechanochromic luminescence material by infusing a phenyl rotator into the structure of 3,4-diphenylmaleic anhydride","New Journal of Chemistry","2022","46","14","6765","6774","10.1039/D2NJ00033D","","","0.71073","MoKα","","0.3417","0.0941","","","0.1525","0.2424","","","","","","0.958","","","","has coordinates","275026","2022-05-05","20:46:05",""
"7061393","9.946","0.0006","12.039","0.0007","13.2743","0.0008","104.081","0.003","103.545","0.003","113.71","0.003","1309.2","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N O4 S -","- C30 H29 N O4 S -","- C60 H58 N2 O8 S2 -","2","1","","Wang, Zexin; Chen, Liwei; Lin, Xiang; Liu, Wei; Han, Jun; Chen, Nannan; Jiang, Hong; Sun, Shitao; Li, Zhenli; Hao, Jinle; Lin, Bin; Li, Renfu; Chen, Xueyuan; Zhai, Xin; Xie, Lijun","Development of a new type of multi-functional mechanochromic luminescence material by infusing a phenyl rotator into the structure of 3,4-diphenylmaleic anhydride","New Journal of Chemistry","2022","46","14","6765","6774","10.1039/D2NJ00033D","","","0.71073","MoKα","","0.106","0.0606","","","0.1675","0.2004","","","","","","1.127","","","","has coordinates","275026","2022-05-05","20:46:08",""
"7061394","13.478","0.003","21.218","0.004","10.7645","0.0018","90","","112.505","0.006","90","","2844","1","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N O6 S -","- C32 H33 N O6 S -","- C128 H132 N4 O24 S4 -","4","1","","Wang, Zexin; Chen, Liwei; Lin, Xiang; Liu, Wei; Han, Jun; Chen, Nannan; Jiang, Hong; Sun, Shitao; Li, Zhenli; Hao, Jinle; Lin, Bin; Li, Renfu; Chen, Xueyuan; Zhai, Xin; Xie, Lijun","Development of a new type of multi-functional mechanochromic luminescence material by infusing a phenyl rotator into the structure of 3,4-diphenylmaleic anhydride","New Journal of Chemistry","2022","46","14","6765","6774","10.1039/D2NJ00033D","","","0.71073","MoKα","","0.2198","0.0898","","","0.1496","0.2025","","","","","","1.021","","","","has coordinates","275026","2022-05-05","20:46:17",""
"7061395","12.8584","0.0005","13.2149","0.0006","15.1082","0.0006","106.825","0.001","93.998","0.001","109.885","0.001","2270.13","0.16","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H42 B Cl Cu Fe N17 O4 -","- C39 H39 B Cl Cu Fe N16 O4 -","- C78 H78 B2 Cl2 Cu2 Fe2 N32 O8 -","2","1","","Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism","New Journal of Chemistry","2022","46","16","7711","7720","10.1039/D2NJ00126H","","","0.71073","MoKα","","0.0574","0.0426","","","0.107","0.1167","","","","","","1.028","","","","has coordinates","275013","2022-05-05","20:43:31",""
"7061396","12.732","0.002","13.303","0.003","13.725","0.003","89.26","0.005","77.669","0.005","74.667","0.005","2187.8","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","","MnL2","","- C40 H43 B Cl Fe Mn N16 O -","- C40 H43 B Cl Fe Mn N16 O -","- C80 H86 B2 Cl2 Fe2 Mn2 N32 O2 -","2","1","","Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism","New Journal of Chemistry","2022","46","16","7711","7720","10.1039/D2NJ00126H","","","0.71073","MoKα","","0.0589","0.0412","","","0.0941","0.1063","","","","","","1.037","","","","has coordinates,has disorder","275013","2022-05-05","20:43:31",""
"7061397","12.941","0.005","13.51","0.006","13.967","0.006","71.814","0.009","69.341","0.009","86.686","0.009","2167","1.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","CuL1","","- C38 H42 B Cl Cu Fe N15 O6 -","- C36 H34 B Cl Cu Fe N15 O4 -","- C72 H68 B2 Cl2 Cu2 Fe2 N30 O8 -","2","1","","Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism","New Journal of Chemistry","2022","46","16","7711","7720","10.1039/D2NJ00126H","","","0.71073","MoKα","","0.0783","0.0531","","","0.1296","0.144","","","","","","1.052","","","","has coordinates,has disorder","275013","2022-05-05","20:43:31",""
"7061398","9.4725","0.0018","16.045","0.003","17.654","0.003","69.201","0.005","75.879","0.006","78.786","0.005","2415.2","0.8","100","","100","","","","","","","","","8","P -1","-P 1","2","","MnL1","","- C45 H61 B Cl Fe Mn N18 O6 -","- C36 H34 B Cl Fe Mn N15 -","- C72 H68 B2 Cl2 Fe2 Mn2 N30 -","2","1","","Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath","Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism","New Journal of Chemistry","2022","46","16","7711","7720","10.1039/D2NJ00126H","","","0.71073","MoKα","","0.0581","0.0455","","","0.1234","0.1312","","","","","","1.046","","","","has coordinates,has disorder","275013","2022-05-05","20:43:31",""
"7061399","24.237","0.002","8.538","0.0007","12.1562","0.0011","90","","97.588","0.003","90","","2493.5","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cl N O -","- C16 H10 Cl N O -","- C128 H80 Cl8 N8 O8 -","8","1","","Yan, Kelu; Liu, Min; Wen, Jiangwei; Liu, Xiao; Wang, Xiaoyu; Sui, Xinlei; Shang, Wenda; Wang, Xiu","Synthesis of 3-substituted quinolines by ruthenium-catalyzed aza-Michael addition and intramolecular annulation of enaminones with anthranils","New Journal of Chemistry","2022","46","16","7329","7333","10.1039/D2NJ00663D","","","0.71073","MoKα","","0.0814","0.0449","","","0.1072","0.1207","","","","","","1.04","","","","has coordinates","275015","2022-05-05","20:43:42",""
"7061400","6.15037","0.00008","15.2072","0.0002","13.27838","0.00019","90","","101.935","0.0013","90","","1215.08","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","SD, Anwarhussaini; Mohitkar, Anuradha; Jayanty, Subbalakshmi","Unprecedented transformation from cyclized zwitterionic oxazolidine derivatives to corresponding non-zwitterionic aromatic amides via Vilsmeier reagent in a one-pot reaction: optical property and crystallography","New Journal of Chemistry","2022","46","17","8069","8078","10.1039/D2NJ00591C","","x-ray","1.54184","CuKα","","0.0337","0.0332","","","0.0851","0.0855","","","","","","1.045","","","","has coordinates","275009","2022-05-05","20:42:49",""
"7061401","6.3852","0.0003","7.1557","0.0006","11.6848","0.0003","93.971","0.005","93.665","0.003","111.132","0.006","494.52","0.05","293","2","293","2","","","101.3","","","","Synthesis","4","P -1","-P 1","2","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C24 H18 N6 O2 -","2","1","","SD, Anwarhussaini; Mohitkar, Anuradha; Jayanty, Subbalakshmi","Unprecedented transformation from cyclized zwitterionic oxazolidine derivatives to corresponding non-zwitterionic aromatic amides via Vilsmeier reagent in a one-pot reaction: optical property and crystallography","New Journal of Chemistry","2022","46","17","8069","8078","10.1039/D2NJ00591C","","x-ray","1.54184","CuKα","","0.0565","0.0535","","","0.145","0.1463","","","","","","1.113","","","","has coordinates","275009","2022-05-05","20:42:49",""
"7061402","12.595","0.0007","16.6928","0.0008","7.6628","0.0005","90","","99.088","0.005","90","","1590.85","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl2 N4 O -","- C15 H16 Cl2 N4 O -","- C60 H64 Cl8 N16 O4 -","4","1","","SD, Anwarhussaini; Mohitkar, Anuradha; Jayanty, Subbalakshmi","Unprecedented transformation from cyclized zwitterionic oxazolidine derivatives to corresponding non-zwitterionic aromatic amides via Vilsmeier reagent in a one-pot reaction: optical property and crystallography","New Journal of Chemistry","2022","46","17","8069","8078","10.1039/D2NJ00591C","","x-ray","0.71073","MoKα","","0.0717","0.0527","","","0.146","0.1547","","","","","","1.155","","","","has coordinates","275009","2022-05-05","20:42:49",""
"7061403","12.463","0.0012","9.2765","0.001","12.6425","0.0013","90","","111.863","0.003","90","","1356.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl4 Cu N2 O4 -","- C28 H20 Cl4 Cu N2 O4 -","- C56 H40 Cl8 Cu2 N4 O8 -","2","0.5","","Kumar, Sunil; Choudhary, Mukesh","Structure-based design and synthesis of copper(ii) complexes as antivirus drug candidates targeting SARS CoV-2 and HIV","New Journal of Chemistry","2022","46","15","7128","7143","10.1039/D2NJ00703G","","","0.71073","MoKα","","0.0458","0.0341","","","0.103","0.1234","","","","","","1.134","","","","has coordinates","275030","2022-05-05","20:46:45",""
"7061404","10.1185","0.0013","10.9809","0.0012","12.5803","0.0013","90","","103.795","0.004","90","","1357.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 Br6 Cu N2 O2 -","- C26 H14 Br6 Cu N2 O2 -","- C52 H28 Br12 Cu2 N4 O4 -","2","0.5","","Kumar, Sunil; Choudhary, Mukesh","Structure-based design and synthesis of copper(ii) complexes as antivirus drug candidates targeting SARS CoV-2 and HIV","New Journal of Chemistry","2022","46","15","7128","7143","10.1039/D2NJ00703G","","","0.71073","MoKα","","0.0752","0.0444","","","0.0944","0.116","","","","","","1.186","","","","has coordinates","275030","2022-05-05","20:46:45",""
"7061405","7.5373","0.0003","18.8689","0.0007","16.7618","0.0006","90","","92.521","0.002","90","","2381.57","0.16","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26.955 H25.866 O6 -","- C26.9553 H25.866 O6 -","- C107.821 H103.464 O24 -","4","1","","Singh, Soumya; Verma, Abhineet; Saha, Satyen","Achieving AIE from ACQ in positional isomeric triarylmethanes","New Journal of Chemistry","2022","46","15","7212","7222","10.1039/D2NJ00148A","","","1.54178","CuKα","","0.0999","0.0756","","","0.2016","0.2265","","","","","","1.0279","","","","has coordinates,has disorder","275033","2022-05-05","20:47:29",""
"7061406","9.59","0.0016","11.089","0.002","11.645","0.002","70.736","0.007","79.283","0.007","81.374","0.007","1143.4","0.3","297.49","","297.49","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C54 H52 O12 -","2","1","","Singh, Soumya; Verma, Abhineet; Saha, Satyen","Achieving AIE from ACQ in positional isomeric triarylmethanes","New Journal of Chemistry","2022","46","15","7212","7222","10.1039/D2NJ00148A","","","0.71073","MoKα","","0.1188","0.0776","","","0.2174","0.2642","","","","","","1.0152","","","","has coordinates","275033","2022-05-05","20:47:29",""
"7061407","11.015","0.002","13.58","0.003","17.031","0.003","90","","96.63","0.03","90","","2530.5","0.9","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N4 O5 -","- C30 H24 N4 O5 -","- C120 H96 N16 O20 -","4","1","","Alizadeh, Abdolali; Bagherinejad, Akram; Kayanian, Jasmine; Vianello, Robert","An experimental and computational study of new spiro-barbituric acid pyrazoline scaffolds: restricted rotation vs. annular tautomerism","New Journal of Chemistry","2022","46","15","7242","7252","10.1039/D1NJ06208E","","x-ray","0.71073","MoKα","","0.0588","0.0566","","","0.1814","0.1831","","","","","","1.141","","","","has coordinates","275035","2022-05-05","20:47:42",""
"7061408","7.1522","0.0001","8.3752","0.0002","13.2773","0.0003","88.436","0.005","79.276","0.004","82.799","0.004","775.26","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,11-bis(4-nitrophenyl)-6,12-diphenyltetracene","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","1","0.5","","Moret, Massimo; Gavezzotti, Angelo","The crystalline state of rubrene materials: intermolecular recognition, isomorphism, polymorphism, and periodic bond-chain analysis of morphologies","New Journal of Chemistry","2022","46","16","7626","7637","10.1039/D2NJ00861K","","","0.71075","MoKα","","0.1705","0.0745","","","0.1504","0.2186","","","","","","0.944","","","","has coordinates","275014","2022-05-05","20:43:36",""
"7061409","13.7449","0.0017","20.8323","0.0017","15.1571","0.0015","90","","90","","90","","4340.1","0.8","273.15","","273.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H13 Cd N5 O4 -","- C18 H13 Cd N5 O4 -","- C144 H104 Cd8 N40 O32 -","8","0.5","","Debnath, Rakesh; Bhowmick, Rahul; Ghosh, Pameli; Biswas, Saptarshi; Koner, Subratanath","Selective luminescent sensing of metal ions and nitroaromatics over a porous mixed-linker cadmium(ii) based metal–organic framework","New Journal of Chemistry","2022","46","18","8523","8533","10.1039/D1NJ04025A","","","0.71073","MoKα","","0.0554","0.0501","","","0.1678","0.1798","","","","","","1.093","","","","has coordinates","275802","2022-06-06","01:55:31",""
"7061410","8.8782","0.0001","12.3726","0.0002","18.0161","0.0002","84.179","0.001","78.826","0.001","73.611","0.002","1860.3","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H39 B2 F8 N O P2 Ru -","- C36 H39 B2 F8 N O P2 Ru -","- C72 H78 B4 F16 N2 O2 P4 Ru2 -","2","1","","Liu, Xiao-Lin; Li, Yi; Xu, Qing-Dou; Wei, Zi-Qin; Wu, Xin-Tao; Sheng, Tian-Lu","A Class III asymmetric binuclear cyanido-bridged mixed-valence complex","New Journal of Chemistry","2022","46","17","7922","7927","10.1039/D2NJ00311B","","x-ray","1.3405","GaKα","","0.0647","0.0602","","","0.176","0.1826","","","","","","1.066","","","","has coordinates","275010","2022-05-05","20:43:01",""
"7061411","12.2255","0.0004","13.0636","0.0005","21.769","0.0007","86.83","0.003","78.341","0.003","62.157","0.004","3007.7","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H57 B2 Cl3 F8 N5 P2 Ru2 -","- C58 H57 B2 Cl3 F8 N5 P2 Ru2 -","- C116 H114 B4 Cl6 F16 N10 P4 Ru4 -","2","1","","Liu, Xiao-Lin; Li, Yi; Xu, Qing-Dou; Wei, Zi-Qin; Wu, Xin-Tao; Sheng, Tian-Lu","A Class III asymmetric binuclear cyanido-bridged mixed-valence complex","New Journal of Chemistry","2022","46","17","7922","7927","10.1039/D2NJ00311B","","x-ray","1.3405","GaKα","","0.0859","0.0792","","","0.232","0.2379","","","","","","1.065","","","","has coordinates","275010","2022-05-05","20:43:01",""
"7061412","11.0409","0.0003","12.7863","0.0004","39.5972","0.0012","90","","91.115","0.002","90","","5589","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H57 B Cl3 F4 N5 P2 Ru2 -","- C58 H57 B Cl3 F4 N5 P2 Ru2 -","- C232 H228 B4 Cl12 F16 N20 P8 Ru8 -","4","1","","Liu, Xiao-Lin; Li, Yi; Xu, Qing-Dou; Wei, Zi-Qin; Wu, Xin-Tao; Sheng, Tian-Lu","A Class III asymmetric binuclear cyanido-bridged mixed-valence complex","New Journal of Chemistry","2022","46","17","7922","7927","10.1039/D2NJ00311B","","","1.3405","GaKα","","0.0582","0.042","","","0.1042","0.112","","","","","","1.058","","","","has coordinates","275010","2022-05-05","20:43:01",""
"7061413","9.2957","0.0009","11.7588","0.0011","15.4097","0.0014","87.54","0.003","87.042","0.003","70.733","0.002","1587.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 Cl N2 Pd -","- C39 H33 Cl N2 Pd -","- C78 H66 Cl2 N4 Pd2 -","2","1","","Yan, Zhengpeng; Bi, Huiqin; Ding, Beihang; Wang, Hui; Xu, Guoyong; Dai, Shengyu","A rigid-flexible double-layer steric strategy for ethylene (co)oligomerization with pyridine-imine Ni(ii) and Pd(ii) complexes","New Journal of Chemistry","2022","46","18","8669","8678","10.1039/D2NJ00183G","","","0.71073","MoKα","","0.0878","0.0646","","","0.1569","0.1671","","","","","","1.051","","","","has coordinates,has disorder","275803","2022-06-06","01:55:36",""
"7061414","6.3021","0.0004","7.696","0.0007","9.4542","0.0005","68.842","0.007","87.792","0.005","70.083","0.007","400.18","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H11 N3 O4 -","- C4 H11 N3 O4 -","- C8 H22 N6 O8 -","2","1","","Liu, Tingting; Lan, Youshi; Liu, Qian; Ma, Fuqiu; Xue, Yun; Yang, Suliang; Tian, Guoxin","Complexation of uranyl(vi) with succinimidedioxime in comparison with glutarimidedioxime","New Journal of Chemistry","2022","46","17","8053","8061","10.1039/D2NJ00662F","","x-ray","1.54184","CuKα","","0.0368","0.0348","","","0.0957","0.0982","","","","","","1.041","","","","has coordinates","275008","2022-05-05","20:42:42",""
"7061415","14.751","0.003","25.89","0.006","19.146","0.003","90","","110.347","0.003","90","","6856","2","296.15","","296.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C26 H55 Co Cr2 Mo12 N10 O53 -","- C26 H55 Co Cr2 Mo12 N10 O53 -","- C104 H220 Co4 Cr8 Mo48 N40 O212 -","4","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.108","0.0656","","","0.1465","0.1699","","","","","","1.001","","","","has coordinates","275801","2022-06-06","01:54:34",""
"7061416","12.5532","0.0005","13.0752","0.0005","13.5524","0.0006","104.748","0.001","117.564","0.001","92.481","0.001","1873.01","0.13","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H35 Cr Mo6 N5 Ni O30.5 -","- C13 H35 Cr Mo6 N5 Ni O30.5 -","- C26 H70 Cr2 Mo12 N10 Ni2 O61 -","2","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0546","0.0351","","","0.0765","0.0844","","","","","","1.017","","","","has coordinates","275801","2022-06-06","01:54:41",""
"7061417","8.6073","0.0003","15.5933","0.0005","17.305","0.0005","90","","99.322","0.001","90","","2291.94","0.13","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co Mo8 N12 O30 -","- C24 H38 Co Mo8 N12 O30 -","- C48 H76 Co2 Mo16 N24 O60 -","2","0.5","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0257","0.0208","","","0.0466","0.0483","","","","","","1.062","","","","has coordinates","275801","2022-06-06","01:54:44",""
"7061418","12.0987","0.0005","21.2376","0.0009","12.9431","0.0005","90","","116.594","0.001","90","","2973.8","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H30 Ag Cr Mo6 N2 O29 -","- C6 H30 Ag Cr Mo6 N2 O29 -","- C24 H120 Ag4 Cr4 Mo24 N8 O116 -","4","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0298","0.0237","","","0.0577","0.0616","","","","","","1.064","","","","has coordinates,has disorder","275801","2022-06-06","01:54:51",""
"7061419","12.5467","0.0008","13.0814","0.0008","13.5348","0.0008","73.031","0.001","62.714","0.001","87.461","0.001","1877.8","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H35 Co Cr Mo6 N5 O30.5 -","- C13 H35 Co Cr Mo6 N5 O30.5 -","- C26 H70 Co2 Cr2 Mo12 N10 O61 -","2","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0684","0.0406","","","0.0813","0.0911","","","","","","1.013","","","","has coordinates,has disorder","275801","2022-06-06","01:55:01",""
"7061420","10.794","0.0003","12.5807","0.0004","25.2421","0.0007","90","","99.284","0.001","90","","3382.88","0.17","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Ag2 Cr Mo6 N5 O26 -","- C13 H26 Ag2 Cr Mo6 N5 O26 -","- C52 H104 Ag8 Cr4 Mo24 N20 O104 -","4","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0332","0.0254","","","0.0509","0.0534","","","","","","1.05","","","","has coordinates","275801","2022-06-06","01:55:12",""
"7061421","10.3442","0.0007","11.1297","0.0007","12.0308","0.0008","76.039","0.001","70.839","0.001","79.754","0.001","1262.32","0.14","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 Ag Mo4 N5 O16 -","- C13 H22 Ag Mo4 N5 O16 -","- C26 H44 Ag2 Mo8 N10 O32 -","2","1","","Jin, Liang; Ying, Jun; Zhang, Yanping; Sun, Chenxi; Tian, Aixiang; Wang, Xiuli","A series of polyoxometalate compounds by tuning N sites and numbers of ligands: syntheses, characterization and electrochemical sensing, and photocatalytic and supercapacitor properties","New Journal of Chemistry","2022","46","18","8422","8432","10.1039/D2NJ00674J","","","0.71073","MoKα","","0.0474","0.0325","","","0.0714","0.0785","","","","","","1.023","","","","has coordinates,has disorder","275801","2022-06-06","01:55:19",""
"7061422","8.6181","0.0001","30.4536","0.0002","11.3734","0.0001","90","","90","","90","","2984.97","0.05","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzimidazolium 2,4-Dichlorophenoxyacetate","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C120 H96 Cl16 N16 O24 -","8","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","1.54184","CuKα","","0.037","0.0347","","","0.0919","0.0938","","","","","","1.067","","","","has coordinates","275804","2022-06-06","01:55:53",""
"7061423","13.5922","0.0007","7.2986","0.0004","16.1444","0.0009","90","","109.48","0.006","90","","1509.91","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-carboxyanilinium 2,4-Dichlorophenoxyacetate","","- C15 H13 Cl2 N O5 -","- C15 H13 Cl2 N O5 -","- C60 H52 Cl8 N4 O20 -","4","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","0.71073","MoKα","","0.0728","0.0539","","","0.1216","0.1323","","","","","","1.071","","","","has coordinates","275804","2022-06-06","01:55:55",""
"7061424","7.5987","0.0003","11.3397","0.0006","13.647","0.0007","72.95","0.005","86.714","0.004","81.523","0.004","1111.83","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hemikis(Piperazine-1,4-diium) 2,4-Dichlorophenoxyacetate","","- C6.67 H7.33 Cl1.33 N0.67 O2 -","- C6.66667 H7.33333 Cl1.33333 N0.666667 O2 -","- C40 H44 Cl8 N4 O12 -","6","3","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","0.71073","MoKα","","0.0672","0.0456","","","0.0983","0.11","","","","","","1.029","","","","has coordinates","275804","2022-06-06","01:55:55",""
"7061425","7.3335","0.0005","8.027","0.0005","10.9917","0.0007","95.693","0.005","95.999","0.006","114.74","0.007","577.07","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","hemikis(1,4-phenylenediammonium) 2,4-Dichlorophenoxyacetate","","- C11 H10 Cl2 N O3 -","- C11 H10 Cl2 N O3 -","- C22 H20 Cl4 N2 O6 -","2","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","0.71073","MoKα","","0.0639","0.0473","","","0.1128","0.1257","","","","","","1.029","","","","has coordinates","275804","2022-06-06","01:55:55",""
"7061426","44.8728","0.0012","4.4362","0.0001","25.0585","0.0007","90","","133.191","0.005","90","","3636.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Ethoxybenzamide 2,4-Dichlorophenoxyacetic acid","","- C17 H17 Cl2 N O5 -","- C17 H17 Cl2 N O5 -","- C136 H136 Cl16 N8 O40 -","8","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","1.54184","CuKα","","0.0495","0.0441","","","0.1296","0.1353","","","","","","1.107","","","","has coordinates","275804","2022-06-06","01:55:55",""
"7061427","13.0374","0.0002","14.47","0.0002","7.6682","0.0001","90","","90.162","0.001","90","","1446.61","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-aminoanilinium 2,4-Dichlorophenoxyacetate","","- C14 H14 Cl2 N2 O3 -","- C14 H14 Cl2 N2 O3 -","- C56 H56 Cl8 N8 O12 -","4","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","0.71073","MoKα","","0.0334","0.028","","","0.0703","0.0728","","","","","","1.059","","","","has coordinates","275804","2022-06-06","01:55:55",""
"7061428","22.881","0.003","7.8734","0.0009","35.026","0.004","90","","103.06","0.007","90","","6146.8","1.3","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 N5 O2 S -","- C37 H29 N5 O2 S -","- C296 H232 N40 O16 S8 -","8","1","","Lv, Long; Ye, Lijie; Cao, Feng; Yang, Shengchen; Song, Qingbao; Zou, Bo; Wang, Kai; Lv, Chunyan; Zhang, Cheng; Zhang, Yujian","Red to near-infrared piezochromism from AIE-active luminophores: isolated dimers facilitating a wide-range redshift","New Journal of Chemistry","2022","46","16","7741","7747","10.1039/D2NJ00901C","","","0.71073","MoKα","","0.0797","0.05","","","0.1227","0.1429","","","","","","1.055","","","","has coordinates,has disorder","275017","2022-05-05","20:43:56",""
"7061429","10.1099","0.0002","12.671","0.0003","22.5816","0.0005","77.049","0.001","79.95","0.001","89.73","0.001","2774.13","0.11","150","","150","","","","","","","","","5","P 1","P 1","1","TDCH","(8S,9R,10R,13R,14R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (4-((Z)-1-cyano-2-(7-(4-(diphenylamino)phenyl)benzo[c][1,2,5]thiadiazol-4-yl)vinyl)phenyl)carbamate","","- C65 H75 N5 O3 S -","- C65 H75 N5 O3 S -","- C130 H150 N10 O6 S2 -","2","2","","Lv, Long; Ye, Lijie; Cao, Feng; Yang, Shengchen; Song, Qingbao; Zou, Bo; Wang, Kai; Lv, Chunyan; Zhang, Cheng; Zhang, Yujian","Red to near-infrared piezochromism from AIE-active luminophores: isolated dimers facilitating a wide-range redshift","New Journal of Chemistry","2022","46","16","7741","7747","10.1039/D2NJ00901C","","","1.54178","CuKα","","0.0494","0.0458","","","0.1186","0.1228","","","","","","1.027","","","","has coordinates,has disorder","275017","2022-05-05","20:43:56",""
"7061430","11.3861","0.0002","11.3861","0.0002","27.035","0.0004","90","","90","","90","","3504.91","0.1","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H13 Br Cl N O2 -","- C20 H13 Br Cl N O2 -","- C160 H104 Br8 Cl8 N8 O16 -","8","1","","Glavač, Danijel; Gredičak, Matija","Construction of chiral Betti base precursors containing a congested quaternary stereogenic center via chiral phosphoric acid-catalyzed arylation of isoindolinone-derived ketimines","New Journal of Chemistry","2022","46","18","8760","8764","10.1039/D2NJ00493C","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0985","0.102","","","","","","1.025","","","","has coordinates","275805","2022-06-06","01:56:07",""
"7061431","30.054","0.003","11.0969","0.001","25.405","0.002","90","","90","","90","","8472.7","1.3","273","2","273.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H40 Cl2 N6 O13 Ru -","- C37 H34 Cl2 N6 O10 Ru -","- C296 H272 Cl16 N48 O80 Ru8 -","8","2","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes","New Journal of Chemistry","2022","46","19","9098","9110","10.1039/D1NJ04736A","","","0.71073","MoKα","","0.0836","0.0612","","","0.1359","0.1491","","","","","","1.058","","","","has coordinates,has disorder","275794","2022-06-06","01:53:13",""
"7061432","11.3948","0.001","12.4038","0.001","14.2466","0.0012","83.522","0.003","69.862","0.002","82.487","0.003","1869.3","0.3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Cl2 N5 O13 Ru -","- C33 H37 Cl2 N5 O13 Ru -","- C66 H74 Cl4 N10 O26 Ru2 -","2","1","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes","New Journal of Chemistry","2022","46","19","9098","9110","10.1039/D1NJ04736A","","","0.71073","MoKα","","0.0367","0.0328","","","0.0852","0.0886","","","","","","1.093","","","","has coordinates,has disorder","275794","2022-06-06","01:53:14",""
"7061433","15.965","0.003","39.938","0.007","12.631","0.002","90","","107.142","0.004","90","","7696","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H126 Cl8 N26 O39 Ru4 -","- C136 H126 Cl8 N26 O39 Ru4 -","- C272 H252 Cl16 N52 O78 Ru8 -","2","0.5","","Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh","Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes","New Journal of Chemistry","2022","46","19","9098","9110","10.1039/D1NJ04736A","","","0.71073","MoKα","","0.1428","0.1065","","","0.2655","0.288","","","","","","1.161","","","","has coordinates,has disorder","275794","2022-06-06","01:53:14",""
"7061434","10.4443","0.0003","11.0826","0.0003","13.4916","0.0004","97.268","0.002","111.991","0.002","99.703","0.002","1396.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 Dy2 Fe N16 O4 -","- C39 H51 Dy2 Fe N16 O4 -","- C39 H51 Dy2 Fe N16 O4 -","1","0.5","","Tan, Pengfei; Yang, Yimou; Lv, Wei; Jing, Rong; Cui, Huihui; Zheng, Shao-Jun; Chen, Lei; Yuan, Aihua; Chen, Xue-Tai; Zhao, Yuyuan","A cyanometallate- and carbonate-bridged dysprosium chain complex with a pentadentate macrocyclic ligand: synthesis, structure, and magnetism","New Journal of Chemistry","2022","46","17","7892","7898","10.1039/D2NJ00784C","","","0.71073","MoKα","","0.0462","0.0334","","","0.0591","0.0615","","","","","","1.025","","","","has coordinates,has disorder","275011","2022-05-05","20:43:07",""
"7061435","15.4846","0.0005","16.2154","0.0005","16.3879","0.0005","105.538","0.001","108.53","0.001","100.577","0.001","3592.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H57 N2 O Sc Si2 -","- C33 H57 N2 O Sc Si2 -","- C132 H228 N8 O4 Sc4 Si8 -","4","2","","Huo, Yanchen; Hu, Xiang; Wang, Jixing; Hu, Hongfan; Shi, Xiaochao","Amido-trihydroquinoline ligated rare-earth metal complexes for polymerization of isoprene","New Journal of Chemistry","2022","46","17","8277","8283","10.1039/D2NJ00707J","","","0.71073","MoKα","","0.0576","0.0417","","","0.1016","0.1112","","","","","","1.017","","","","has coordinates,has disorder","275012","2022-05-05","20:43:16",""
"7061436","11.7858","0.0016","17.535","0.002","17.741","0.002","63.236","0.004","80.297","0.005","80.677","0.005","3211.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H49 N2 O Sc Si2 -","- C29 H49 N2 O Sc Si2 -","- C116 H196 N8 O4 Sc4 Si8 -","4","2","","Huo, Yanchen; Hu, Xiang; Wang, Jixing; Hu, Hongfan; Shi, Xiaochao","Amido-trihydroquinoline ligated rare-earth metal complexes for polymerization of isoprene","New Journal of Chemistry","2022","46","17","8277","8283","10.1039/D2NJ00707J","","","0.71073","MoKα","","0.075","0.0486","","","0.1136","0.128","","","","","","1.039","","","","has coordinates,has disorder","275012","2022-05-05","20:43:19",""
"7061437","15.925","0.003","17.322","0.003","26.711","0.005","90","","90","","90","","7368","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H57 N2 O Si2 Y -","- C33 H57 N2 O Si2 Y -","- C264 H456 N16 O8 Si16 Y8 -","8","1","","Huo, Yanchen; Hu, Xiang; Wang, Jixing; Hu, Hongfan; Shi, Xiaochao","Amido-trihydroquinoline ligated rare-earth metal complexes for polymerization of isoprene","New Journal of Chemistry","2022","46","17","8277","8283","10.1039/D2NJ00707J","","","0.71073","MoKα","","0.0659","0.0342","","","0.0741","0.0833","","","","","","1.001","","","","has coordinates","275012","2022-05-05","20:43:19",""
"7061438","10.9156","0.0005","12.4782","0.0007","19.3575","0.0009","84.339","0.002","81.536","0.001","74.961","0.001","2513.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 O9 -","- C29 H30 O9 -","- C116 H120 O36 -","4","2","","Singh, Shikha; Trivedi, Laxmikant; Vasudev, Prema G.; Passarella, Daniele; Negi, Arvind S.","An efficient merging of DBU/enolate and DBU/benzyl bromide organocycles for the synthesis of alpha benzylated 1-indanone derivatives","New Journal of Chemistry","2022","46","17","7850","7854","10.1039/D2NJ00783E","","","0.71073","MoKα","","0.0639","0.0431","","","0.1004","0.1159","","","","","","0.994","","","","has coordinates","275007","2022-05-05","20:42:37",""
"7061439","9.3859","0.0004","12.4127","0.0005","12.8167","0.0006","62.093","0.005","74.683","0.004","87.704","0.004","1266.55","0.12","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 N P S Se -","- C31 H26 N P S Se -","- C62 H52 N2 P2 S2 Se2 -","2","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","1.54184","CuKα","","0.056","0.0537","","","0.1412","0.1446","","","","","","1.065","","","","has coordinates","275791","2022-06-06","01:52:31",""
"7061440","10.3604","0.0004","12.8764","0.0005","12.9364","0.0007","65.103","0.005","73.145","0.004","74.459","0.004","1476.85","0.13","100","0.4","100","0.4","","","","","","","","9","P -1","-P 1","2","","","","- C27 H26 B Cl3 F4 N P Pd S2 -","- C27 H26 B Cl3 F4 N P Pd S2 -","- C54 H52 B2 Cl6 F8 N2 P2 Pd2 S4 -","2","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","0.71073","MoKα","","0.0521","0.0389","","","0.0687","0.0748","","","","","","0.999","","","","has coordinates,has disorder","275791","2022-06-06","01:52:36",""
"7061441","10.3865","0.0005","12.875","0.0007","12.9927","0.0007","65.113","0.005","72.94","0.004","74.721","0.005","1486.99","0.15","99.9","0.4","99.9","0.4","","","","","","","","10","P -1","-P 1","2","","","","- C27 H26 B Cl3 F4 N P Pd S Se -","- C27 H26 B Cl3 F4 N P Pd S Se -","- C54 H52 B2 Cl6 F8 N2 P2 Pd2 S2 Se2 -","2","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","0.71073","MoKα","","0.0589","0.0425","","","0.0844","0.094","","","","","","1.033","","","","has coordinates,has disorder","275791","2022-06-06","01:52:36",""
"7061442","15.9613","0.0006","15.9613","0.0006","25.1755","0.001","90","","90","","120","","5554.5","0.4","99.9","0.3","99.9","0.3","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C32 H27 Cl7 N P Pd2 S Se -","- C32 H27 Cl7 N P Pd2 S Se -","- C192 H162 Cl42 N6 P6 Pd12 S6 Se6 -","6","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","0.71073","MoKα","","0.0512","0.038","","","0.0692","0.0743","","","","","","1.032","","","","has coordinates,has disorder","275791","2022-06-06","01:52:36",""
"7061443","22.5136","0.0007","15.1765","0.0005","19.8095","0.0006","90","","92.705","0.003","90","","6760.9","0.4","100","0.4","100","0.4","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 B Cl3 F4 N O P Pd S2 -","- C32 H28 B Cl3 F4 N P Pd S2 -","- C256 H224 B8 Cl24 F32 N8 P8 Pd8 S16 -","8","1","","Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel","Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes","New Journal of Chemistry","2022","46","19","9344","9356","10.1039/D2NJ00924B","","x-ray","0.71073","MoKα","","0.0468","0.0377","","","0.0837","0.0894","","","","","","1.044","","","","has coordinates","275791","2022-06-06","01:52:36",""
"7061444","8.1736","0.0004","8.9413","0.0004","12.3309","0.0006","105.112","0.002","93.31","0.002","111.564","0.002","797.19","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cl N2 O S2 -","- C16 H11 Cl N2 O S2 -","- C32 H22 Cl2 N4 O2 S4 -","2","1","","Dou, Li; Shi, Huabin; Niu, Xue; Zhang, Hong; Zhang, Kankan; Wu, Zhibing","Design, synthesis and antifungal mechanism of novel acetophenone derivatives containing 1,3,4-thiadiazole-2-thioethers","New Journal of Chemistry","2022","46","19","9017","9023","10.1039/D2NJ01709A","","","1.54178","CuKα","","0.0984","0.0953","","","0.2294","0.2356","","","","","","1.119","","","","has coordinates","275789","2022-06-06","01:52:14",""
"7061445","9.752","0.004","11.226","0.005","12.651","0.006","83.397","0.008","68.133","0.005","75","0.006","1241.3","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4","","- C27 H23 N3 O7 -","- C27 H23 N3 O7 -","- C54 H46 N6 O14 -","2","1","","Mohamed, Hany I.; Gao, Chao; Gui, Zhikun; Song, Zibing; Wei, Dengguo","A novel fluorescent probe with a pyrazolo[4,3-c]quinoline core selectively recognizes c-MYC promoter G-quadruplexes","New Journal of Chemistry","2022","46","18","8619","8625","10.1039/D1NJ00098E","","","0.71073","MoKα","","0.073","0.0539","","","0.1544","0.1815","","","","","","1.044","","","","has coordinates,has disorder","275808","2022-06-06","01:57:08",""
"7061446","8.9617","0.0012","19.198","0.003","40.595","0.007","90","","90","","90","","6984.2","1.9","113","","113","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","[Cd(dbta)]n","","- C23 H13 Cd N3 O4 -","- C23 H13 Cd N3 O4 -","- C368 H208 Cd16 N48 O64 -","16","0.5","","Liu, Lu; Jia, Yuejiao; Chen,; Li, Dechao; Hu, Ming","A multifunctional fluorescent Cd-MOF probe: its synthesis, structure, and sensing properties","New Journal of Chemistry","2022","46","18","8636","8643","10.1039/D2NJ00358A","","","0.71073","MoKα","","0.0535","0.0369","","","0.0793","0.0869","","","","","","1.121","","","","has coordinates","275807","2022-06-06","01:56:50",""
"7061447","44.361","0.005","44.361","0.005","44.361","0.005","90","","90","","90","","87298","17","293","2","293","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C108 H36 Cu24 Mo10 N48 O116 Si V2 -","- C108 H36 Cu24 Mo9.9996 N48 O116 Si V2.0004 -","- C864 H288 Cu192 Mo79.9968 N384 O928 Si8 V16.0032 -","8","0.0416667","","Liu, Jiabin; Xin, Yuxiang; Bai, Yiyang; She, Wei; Wang, Jing; Li, Gaungming","A self-assembly solvothermal synthesis of SiMoVn@[Cu6O(TZI)3(H2O)6]4·nH2O for the efficient selective oxidation of various alkylbenzenes","New Journal of Chemistry","2022","46","19","9229","9237","10.1039/D2NJ00308B","","","0.71069","MoKα","","0.114","0.0858","","","0.2228","0.264","","","","","","1.064","","","","has coordinates","275792","2022-06-06","01:52:56",""
"7061448","12.4462","0.0007","6.6861","0.0004","23.1127","0.0009","90","","98.124","0.005","90","","1904.06","0.17","113.1","0.14","113.1","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-arylaminophenyl benzoate","5-Methyl-2-((2,4,6-trinitrophenyl)amino)phenyl benzoate","","- C20 H14 N4 O8 -","- C20 H14 N4 O8 -","- C80 H56 N16 O32 -","4","1","","Zhang, Guangyu; Xu, Jiaxi","A four-step cascade reaction involving O[1,3] sigmatropic shift and Smiles rearrangements as key steps","New Journal of Chemistry","2022","46","19","9322","9330","10.1039/D2NJ01393B","","x-ray","0.71073","MoKα","","0.0801","0.0511","","","0.093","0.1097","","","","","","1.042","","","","has coordinates","275790","2022-06-06","01:52:20",""
"7061449","17.604","0.005","7.008","0.003","7.319","0.001","90","","90","","90","","902.9","0.5","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Fe(3Ethynil)2[Ni(CN)4]","","","- C18 H10 Fe N6 Ni -","- C18 H10 Fe N6 Ni -","- C36 H20 Fe2 N12 Ni2 -","2","0.5","","Terrero, R.; Avila, Y.; Mojica, R.; Cano, A.; Gonzalez, M.; Avila, M.; Reguera, E.","Thermally induced spin-crossover in the Fe(3-ethynylpyridine)2[M(CN)4] series with M = Ni, Pd, and Pt. The role of the electron density found at the CN 5σ orbital","New Journal of Chemistry","2022","46","20","9618","9628","10.1039/D2NJ01214F","powder diffraction","","1.54175","CuKα","","","0.1014","","","","0.2028","","5.5217","1.71","","","","","","","has coordinates","275797","2022-06-06","01:53:44",""
"7061450","17.639","0.001","7.2987","0.0006","7.4677","0.001","90","","90","","90","","961.4","0.16","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","Fe(3Ethynil)2[Pd(CN)4]","","","- C18 H10 Fe N6 Pd -","- C18 H10 Fe N6 Pd -","- C36 H20 Fe2 N12 Pd2 -","2","0.5","","Terrero, R.; Avila, Y.; Mojica, R.; Cano, A.; Gonzalez, M.; Avila, M.; Reguera, E.","Thermally induced spin-crossover in the Fe(3-ethynylpyridine)2[M(CN)4] series with M = Ni, Pd, and Pt. The role of the electron density found at the CN 5σ orbital","New Journal of Chemistry","2022","46","20","9618","9628","10.1039/D2NJ01214F","powder diffraction","","1.54175","CuKα","","","0.1014","","","","0.2028","","4.7979","1.39","","","","","","","has coordinates","275797","2022-06-06","01:53:44",""
"7061451","7.4363","0.0004","14.1125","0.0009","14.224","0.0009","90","","90","","90","","1492.73","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Liu, Min; Li, Wenzhe; Huang, Min; Yan, Yingkun; Li, Min; Cao, Lianyi; Zhang, Xiaomei","Enantioselective intramolecular Pictet–Spengler type annulation of indole-linked 3-methyleneisoindolin-1-ones","New Journal of Chemistry","2022","46","20","9582","9586","10.1039/D2NJ00517D","","x-ray","1.54184","CuKα","","0.0607","0.0496","","","0.1201","0.1301","","","","","","1.021","","","","has coordinates","275799","2022-06-06","01:53:57",""
"7061452","10.889","0.004","14.667","0.005","15.176","0.006","81.374","0.005","70.619","0.006","89.727","0.006","2257.9","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Fe2 N7 O6 P3 -","- C46 H54 Fe2 N7 O6 P3 -","- C92 H108 Fe4 N14 O12 P6 -","2","1","","Tümer, Yasemin; Asmafiliz, Nuran; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 63. Mono- and bis-vanillinatobisferrocenyldispiro(N/N)cyclotriphosphazenes and their macrocyclic Schiff-bases: synthesis, structural characterization and isomerism","New Journal of Chemistry","2022","46","21","10368","10378","10.1039/D2NJ00846G","","","0.71073","MoKα","","0.0651","0.0505","","","0.1382","0.149","","","","","","1.041","","","","has coordinates","275811","2022-06-06","01:57:55",""
"7061453","9.9758","0.0003","15.0047","0.0005","16.6583","0.0005","69.954","0.003","81.274","0.004","78.14","0.004","2283.44","0.13","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Fe2 N7 O6 P3 -","- C46 H54 Fe2 N7 O6 P3 -","- C92 H108 Fe4 N14 O12 P6 -","2","1","","Tümer, Yasemin; Asmafiliz, Nuran; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 63. Mono- and bis-vanillinatobisferrocenyldispiro(N/N)cyclotriphosphazenes and their macrocyclic Schiff-bases: synthesis, structural characterization and isomerism","New Journal of Chemistry","2022","46","21","10368","10378","10.1039/D2NJ00846G","","","0.71073","MoKα","","0.0603","0.0426","","","0.1005","0.1086","","","","","","1.037","","","","has coordinates","275811","2022-06-06","01:57:55",""
"7061454","15.5719","0.0015","15.9403","0.0015","20.762","0.002","82.039","0.001","70.386","0.001","83.299","0.001","4794.1","0.8","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H74 Br Cl10 Cu2 N5 O10 P4 -","- C91 H68 Br Cl4 Cu2 N5 O10 P4 -","- C182 H136 Br2 Cl8 Cu4 N10 O20 P8 -","2","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0568","0.0451","","","0.1194","0.1263","","","","","","1.044","","","","has coordinates","275806","2022-06-06","01:56:25",""
"7061455","13.8637","0.0012","24.798","0.002","26.122","0.002","90","","90","","90","","8980.5","1.3","150","2","150.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C90 H73 Ag Br Cl Cu N5 O10 P4 -","- C90 H65 Ag Br Cl Cu N5 O6 P4 -","- C360 H260 Ag4 Br4 Cl4 Cu4 N20 O24 P16 -","4","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0361","0.0315","","","0.0707","0.0725","","","","","","1.038","","","","has coordinates","275806","2022-06-06","01:56:33",""
"7061456","13.8873","0.0011","10.6708","0.0008","31.655","0.002","90","","96.56","0.001","90","","4660.2","0.6","150","2","150","","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C100 H89 Br Cl5 Cu2 N5 O10 P4 -","- C99 H81 Br Cl5 Cu2 N5 O7 P4 -","- C198 H162 Br2 Cl10 Cu4 N10 O14 P8 -","2","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0304","0.0275","","","0.0693","0.0703","","","","","","1.053","","","","has coordinates","275806","2022-06-06","01:56:35",""
"7061457","18.887","0.004","18.8","0.004","27.414","0.006","90","","100.064","0.003","90","","9584","4","150","2","150.15","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C100 H81 Ag Br Cl9 Cu N5 O6 P4 -","- C96 H73 Ag Br Cl Cu N5 O6 P4 -","- C384 H292 Ag4 Br4 Cl4 Cu4 N20 O24 P16 -","4","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0714","0.044","","","0.097","0.1071","","","","","","1.007","","","","has coordinates","275806","2022-06-06","01:56:35",""
"7061458","10.981","0.006","7.258","0.003","14.162","0.008","90","","94.073","0.012","90","","1125.9","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 O5 S -","- C25 H32 O5 S -","- C50 H64 O10 S2 -","2","1","","Tamang, Nitesh; Andrews, Christopher; Mavileti, Sai Kiran; Nanduri, Srinivas; Golakoti, Nageswara Rao; Karanam, Balasubramanyam","Anti-cancer activity of heteroaromatic acetals of andrographolide and its isomers","New Journal of Chemistry","2022","46","20","9745","9754","10.1039/D2NJ01055K","","","0.71073","MoKα","","0.0372","0.0314","","","0.0765","0.0796","","","","","","1.057","","","","has coordinates","275796","2022-06-06","01:53:39",""
"7061459","6.142","0.0005","22.742","0.0018","12.2786","0.0008","90","","96.538","0.003","90","","1703.9","0.2","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O2 S -","- C17 H20 N4 O2 S -","- C68 H80 N16 O8 S4 -","4","1","","Justaud, Frédéric; Paysant, Hippolyte; Weiswald, Louis Bastien; Jebahi, Abdelghani; Jouanne, Marie; Elie, Nicolas; Voisin-Chiret, Anne Sophie; Roisnel, Thierry; Orione, Clément; Levoin, Nicolas; Poulain, Laurent; Grée, René","Synthesis and biological evaluation of FJ-809, a compound originally described as MIM1 and an inhibitor of the anti-apoptotic protein Mcl-1","New Journal of Chemistry","2022","46","19","9119","9127","10.1039/D1NJ05987D","","x-ray","0.71073","MoKα","","0.092","0.0829","","","0.2065","0.2163","","","","","","1.156","","","","has coordinates","275793","2022-06-06","01:53:01",""
"7061460","10.6327","0.0002","10.36708","0.00017","17.0092","0.0003","90","","105.487","0.0019","90","","1806.85","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Bi Cl3 N2 O S -","- C12 H16 Bi Cl3 N2 O S -","- C48 H64 Bi4 Cl12 N8 O4 S4 -","4","1","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","1.54184","CuKα","","0.039","0.0346","","","0.0872","0.0908","","","","","","1.0235","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061461","7.4635","0.0008","22.1889","0.0013","9.3494","0.0009","90","","110.628","0.012","90","","1449.1","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N S -","- C19 H13 N S -","- C76 H52 N4 S4 -","4","1","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","1.54184","CuKα","","0.0389","0.0339","","","0.0889","0.0939","","","","","","1.0969","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061462","7.638","0.0004","11.308","0.0004","13.1866","0.0007","77.9","0.004","78.288","0.004","84.332","0.004","1088.56","0.09","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H15 Bi Br3 N2 O Se -","- C12 H15 Bi Br3 N2 O Se -","- C24 H30 Bi2 Br6 N4 O2 Se2 -","2","1","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","0.71073","MoKα","","0.091","0.0578","","","0.1151","0.1321","","","","","","0.9272","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061463","9.28018","0.00015","23.7009","0.0003","14.4183","0.0003","90","","94.9584","0.0015","90","","3159.42","0.09","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Bi2 Br6 N8 O4 S4 -","- C48 H64 Bi2 Br6 N8 O4 S4 -","- C96 H128 Bi4 Br12 N16 O8 S8 -","2","0.5","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","1.54184","CuKα","","0.0671","0.0544","","","0.1286","0.1402","","","","","","0.9798","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061464","25.36","0.003","7.5833","0.0005","33.138","0.003","90","","110.162","0.011","90","","5982.3","1.1","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C19 H12 Cl N S -","- C19 H12 Cl N S -","- C304 H192 Cl16 N16 S16 -","16","2","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","0.71073","MoKα","","0.3443","0.08","","","0.0909","0.1791","","","","","","0.954","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061465","9.148","0.002","23.974","0.005","14.15","0.003","90","0.03","95.19","0.03","90","0.03","3090.6","1.2","298.15","","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Bi2 Cl6 N8 O4 Se4 -","- C48 H64 Bi2 Cl6 N8 O4 Se4 -","- C96 H128 Bi4 Cl12 N16 O8 Se8 -","2","0.5","","Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan","Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions","New Journal of Chemistry","2022","46","21","10256","10263","10.1039/D2NJ01151D","","x-ray","0.71073","MoKα","","0.0568","0.049","","","0.1495","0.1756","","","","","","1.0158","","","","has coordinates","275814","2022-06-06","01:58:36",""
"7061466","10.68","0.0003","12.5165","0.0003","13.2741","0.0004","89.198","0.002","74.574","0.002","81.894","0.002","1692.9","0.08","150","2","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H31 Cl3 Ni O2 P2 S2 -","- C33 H31 Cl3 Ni O2 P2 S2 -","- C66 H62 Cl6 Ni2 O4 P4 S4 -","2","1","","Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Chauhan, Ratna; Gosavi, Suresh W.; Singh, Anar; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.","Phase-controlled solvothermal syntheses and oxygen evolution reaction (OER) activity of nickel sulfide nanoparticles obtained from 1,2-bis(diphenylphosphino)ethane nickel(ii) acetylacetonatedithiolate","New Journal of Chemistry","2022","46","21","10246","10255","10.1039/D2NJ01177H","","x-ray","0.71073","MoKα","","0.0451","0.0325","","","0.0682","0.0739","","","","","","1.019","","","","has coordinates","275817","2022-06-06","01:59:29",""
"7061467","8.701","0.001","11.0102","0.0012","13.1693","0.0014","89.536","0.003","87.009","0.003","84.316","0.003","1253.7","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Cu3 N16 Na2 O8 -","- C46 H56 Cu3 N16 Na2 O8 -","- C46 H56 Cu3 N16 Na2 O8 -","1","0.5","","Bhaumik, Prasanta Kumar; Gomila, Rosa M.; Frontera, Antonio; Benmansour, Samia; Gómez-García, Carlos J.; Chattopadhyay, Shouvik","Insight into non-covalent interactions in a [Cu(N3)4]2− bridged hetero-pentanuclear copper(ii)/sodium complex with special emphasis on the strong CH⋯π[Cu(N3)4] interactions","New Journal of Chemistry","2022","46","23","11286","11295","10.1039/D2NJ00614F","","","0.71073","MoKα","","0.0284","0.0245","","","0.0627","0.0652","","","","","","1.061","","","","has coordinates","276668","2022-07-06","08:29:17",""
"7061468","10.5869","0.0004","14.2196","0.0006","16.8639","0.0007","87.049","0.002","82.503","0.002","74.066","0.002","2419.98","0.17","200","2","200","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H46 N6 -","- C64 H46 N6 -","- C128 H92 N12 -","2","1","","Ji, Si-Chao; Jiang, Shanshan; Zhao, Tianxiang; Meng, Lingyi; Chen, Xu-Lin; Lu, Can-Zhong","Efficient yellow and red thermally activated delayed fluorescence materials based on a quinoxaline-derived electron-acceptor","New Journal of Chemistry","2022","46","19","8991","8998","10.1039/D2NJ01072K","","","0.71073","MoKα","","0.1423","0.0614","","","0.126","0.1627","","","","","","1.016","","","","has coordinates","275795","2022-06-06","01:53:22",""
"7061469","11.0106","0.0005","15.1674","0.0008","15.2817","0.0009","77.222","0.002","73.086","0.002","74.851","0.002","2327.5","0.2","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H34 N6 O2 -","- C58 H34 N6 O2 -","- C116 H68 N12 O4 -","2","1","","Ji, Si-Chao; Jiang, Shanshan; Zhao, Tianxiang; Meng, Lingyi; Chen, Xu-Lin; Lu, Can-Zhong","Efficient yellow and red thermally activated delayed fluorescence materials based on a quinoxaline-derived electron-acceptor","New Journal of Chemistry","2022","46","19","8991","8998","10.1039/D2NJ01072K","","","0.71073","MoKα","","0.1177","0.0654","","","0.1668","0.1862","","","","","","1.119","","","","has coordinates","275795","2022-06-06","01:53:32",""
"7061470","9.7546","0.0003","10.8555","0.0003","17.1955","0.0005","97.964","0.002","92.592","0.002","115.717","0.003","1613.31","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H31 N3 -","- C45 H31 N3 -","- C90 H62 N6 -","2","1","","Lin, Pei-Chi; Lin, Yu-Ting; Liu, Kuan-Ting; Chen, Meng-Sin; Zhang, Yong-Yun; Li, Jie-Cheng; Leung, Man-kit","Differential detection of strong acids in weak acids: a combination of a benzimidazole-carbazole backbone with AIE luminophores as highly sensitive and selective turn-on fluorescent probes","New Journal of Chemistry","2022","46","21","10317","10327","10.1039/D2NJ01226J","","","0.71073","MoKα","","0.1208","0.0603","","","0.1235","0.1658","","","","","","0.924","","","","has coordinates","275815","2022-06-06","01:58:43",""
"7061471","8.9933","0.0013","9.9705","0.0015","19.962","0.003","82.18","0.012","81.467","0.012","63.224","0.014","1575.5","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H31 N3 -","- C45 H31 N3 -","- C90 H62 N6 -","2","1","","Lin, Pei-Chi; Lin, Yu-Ting; Liu, Kuan-Ting; Chen, Meng-Sin; Zhang, Yong-Yun; Li, Jie-Cheng; Leung, Man-kit","Differential detection of strong acids in weak acids: a combination of a benzimidazole-carbazole backbone with AIE luminophores as highly sensitive and selective turn-on fluorescent probes","New Journal of Chemistry","2022","46","21","10317","10327","10.1039/D2NJ01226J","","","0.71073","MoKα","","0.111","0.0741","","","0.1969","0.2208","","","","","","1.356","","","","has coordinates","275815","2022-06-06","01:58:46",""
"7061472","9.1375","0.0011","11.3158","0.0013","18.3796","0.0013","77.293","0.008","86.737","0.008","81.617","0.01","1833.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H32 Cl N3 -","- C45 H32 Cl N3 -","- C90 H64 Cl2 N6 -","2","1","","Lin, Pei-Chi; Lin, Yu-Ting; Liu, Kuan-Ting; Chen, Meng-Sin; Zhang, Yong-Yun; Li, Jie-Cheng; Leung, Man-kit","Differential detection of strong acids in weak acids: a combination of a benzimidazole-carbazole backbone with AIE luminophores as highly sensitive and selective turn-on fluorescent probes","New Journal of Chemistry","2022","46","21","10317","10327","10.1039/D2NJ01226J","","","0.71073","MoKα","","0.1042","0.0685","","","0.1694","0.2063","","","","","","1.024","","","","has coordinates,has disorder","275815","2022-06-06","01:58:56",""
"7061473","19.1104","0.001","16.7231","0.001","13.9585","0.0009","90","","110.918","0.002","90","","4166.9","0.4","196.15","","196.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O3 -","- C25 H20 Cl N O3 -","- C200 H160 Cl8 N8 O24 -","8","2","","Shao, Ying; Tian, Shijie; Zhu, Jie; Tang, Shengbiao; Sun, Jiangtao","Diastereoselective formation of β-lactams via a three-component reaction","New Journal of Chemistry","2022","46","21","9989","9993","10.1039/D2NJ01129H","","","0.71073","MoKα","","0.0895","0.064","","","0.1322","0.1442","","","","","","1.076","","","","has coordinates","275812","2022-06-06","01:58:09",""
"7061474","9.8643","0.0012","10.2577","0.0012","12.3234","0.0015","68.513","0.004","77.801","0.004","72.568","0.004","1099.7","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C54 H50 N2 O6 -","2","1","","Shao, Ying; Tian, Shijie; Zhu, Jie; Tang, Shengbiao; Sun, Jiangtao","Diastereoselective formation of β-lactams via a three-component reaction","New Journal of Chemistry","2022","46","21","9989","9993","10.1039/D2NJ01129H","","","0.71073","MoKα","","0.1253","0.0641","","","0.1247","0.1505","","","","","","1.015","","","","has coordinates","275812","2022-06-06","01:58:13",""
"7061475","16.4758","0.001","11.0289","0.0008","24.904","0.002","90","","90","","90","","4525.3","0.6","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H40 F2 N10 O4 -","- C54 H40 F2 N10 O4 -","- C216 H160 F8 N40 O16 -","4","1","","Mayakrishnan, Sivakalai; Kathirvelan, Devarajan; Arun, Yuvaraj; Saranraj, Krishnan; Balachandran, Chandrasekaran; Aoki, Shin; Yuvaraj, Pannerselvam; Maheswarai, Narayanan Uma","Design and synthesis of spirooxindole–pyrrolidines embedded with indole and pyridine heterocycles by multicomponent reaction: anticancer and in silico studies","New Journal of Chemistry","2022","46","21","10089","10106","10.1039/D1NJ05839H","","","0.71073","MoKα","","0.077","0.0463","","","0.0994","0.1143","","","","","","1.091","","","","has coordinates,has disorder","275816","2022-06-06","01:59:16",""
"7061476","15.6743","0.0008","10.9532","0.0006","17.2489","0.0008","90","","104.833","0.002","90","","2862.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N5 O3 S2 -","- C30 H27 N5 O3 S2 -","- C120 H108 N20 O12 S8 -","4","1","","Mayakrishnan, Sivakalai; Kathirvelan, Devarajan; Arun, Yuvaraj; Saranraj, Krishnan; Balachandran, Chandrasekaran; Aoki, Shin; Yuvaraj, Pannerselvam; Maheswarai, Narayanan Uma","Design and synthesis of spirooxindole–pyrrolidines embedded with indole and pyridine heterocycles by multicomponent reaction: anticancer and in silico studies","New Journal of Chemistry","2022","46","21","10089","10106","10.1039/D1NJ05839H","","","0.71073","MoKα","","0.0747","0.0461","","","0.112","0.1352","","","","","","1.062","","","","has coordinates,has disorder","275816","2022-06-06","01:59:19",""
"7061477","13.643","0.0005","10.2851","0.0006","22.304","0.002","90","","92.516","0.005","90","","3126.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Br N O2 -","- C37 H38 Br N O2 -","- C148 H152 Br4 N4 O8 -","4","1","","Qin, Hongmei; Xie, Qimei; He, Long","Synthesis of spiroindolenine-bearing chroman scaffolds based on a cyclization reaction of para-Quinone methides","New Journal of Chemistry","2022","46","21","9985","9988","10.1039/D2NJ00936F","","","1.54178","CuKα","","0.0404","0.0359","","","0.0902","0.0934","","","","","","1.051","","","","has coordinates","275810","2022-06-06","01:57:44",""
"7061478","12.9884","0.0009","14.0613","0.001","16.1245","0.0012","69.146","0.002","70.282","0.002","76.363","0.003","2568.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H11 B F15 N Se -","- C27 H11 B F15 N Se -","- C108 H44 B4 F60 N4 Se4 -","4","2","","Ciancaleoni, Gianluca; Marchetti, Fabio; Santi, Claudio; Merlino, Orsola; Zacchini, Stefano","Assessing the effects of covalent, dative and halogen bonds on the electronic structure of selenoamides","New Journal of Chemistry","2022","46","22","10568","10576","10.1039/D2NJ01421A","","","0.71073","MoKα","","0.069","0.0493","","","0.1041","0.1118","","","","","","1.029","","","","has coordinates","276647","2022-07-06","08:22:09",""
"7061479","8.036","0.018","10.55","0.02","13.26","0.03","93.56","0.05","96.81","0.04","94.96","0.05","1109","4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C H N -","- C2 H1.33333 N0.121212 -","- C66 H44 N4 -","33","16.5","","De, Rimpa; Sengupta, Utsav; Savarimuthu, Antony; Misra, Souvik; Nanda, Jayanta; Bera, Mrinal K.","A practical and cost-effective approach to polysubstituted pyrimidine derivatives via DBU mediated redox isomerization of propargyl alcohol and subsequent N–C–N fragment condensation","New Journal of Chemistry","2022","46","22","10603","10610","10.1039/D2NJ00586G","","","0.71073","MoKα","","0.0975","0.0805","","","0.245","0.2891","","","","","","1.127","","","","has coordinates","276652","2022-07-06","08:23:46",""
"7061480","16.9431","0.0016","7.3296","0.0007","16.3123","0.0015","90","","107.232","0.003","90","","1934.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O5 -","- C22 H19 N3 O5 -","- C88 H76 N12 O20 -","4","1","","Liu, Lu; Yu, Yue-Ming; Yu, Yu; Bu, Fan-Zhi; Wu, Zhi-Yong; Yan, Cui-Wei; Li, Yan-Tuan","Drug-nutrient cocrystallization-driven strategy towards self-assembly of milrinone and ferulic acid provides an exemplification in perfecting in vitro/vivo characteristics of anti-heart failure drugs","New Journal of Chemistry","2022","46","21","10357","10367","10.1039/D2NJ01509A","","","0.71073","MoKα","","0.0855","0.0359","","","0.035","0.0415","","","","","","1.0779","","","","has coordinates","275818","2022-06-06","01:59:50",""
"7061481","10.543","0.0006","18.734","0.0014","13.934","0.0009","90","","109.458","0.002","90","","2595","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 B Fe N6 O7 -","- C25 H32 B Fe N6 O7 -","- C100 H128 B4 Fe4 N24 O28 -","4","1","","Chuprin, Alexander S.; Dudkin, Semyon V.; Belova, Svetlana A.; Lebed, Ekaterina G.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Synthesis and reactivity of the apically functionalized (pseudo)macrobicyclic iron(ii) tris-dioximates and their hybrid phthalocyaninatoclathrochelate derivatives comprising reactive and vector terminal groups","New Journal of Chemistry","2022","46","22","10863","10877","10.1039/D2NJ01560A","","","0.71073","MoKα","","0.1117","0.0576","","","0.1197","0.1263","","","","","","1.101","","","","has coordinates","276650","2022-07-06","08:22:50",""
"7061482","13.398","0.003","15.25","0.003","17.404","0.004","111.16","0.03","94.87","0.03","92.81","0.03","3292.1","1.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H48.5 B Cl10.5 Fe N14 O7 Zr -","- C60.5 H48.5 B Cl10.5 Fe N14 O7 Zr -","- C121 H97 B2 Cl21 Fe2 N28 O14 Zr2 -","2","1","","Chuprin, Alexander S.; Dudkin, Semyon V.; Belova, Svetlana A.; Lebed, Ekaterina G.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Synthesis and reactivity of the apically functionalized (pseudo)macrobicyclic iron(ii) tris-dioximates and their hybrid phthalocyaninatoclathrochelate derivatives comprising reactive and vector terminal groups","New Journal of Chemistry","2022","46","22","10863","10877","10.1039/D2NJ01560A","","","0.80246","synchrotron","","0.095","0.081","","","0.1652","0.1737","","","","","","1.013","","","","has coordinates,has disorder","276650","2022-07-06","08:22:53",""
"7061483","11.8206","0.0002","12.7249","0.0003","23.8173","0.0005","101.295","0.001","103.735","0.001","95.341","0.001","3375.82","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H60 B Fe Hf N14 O8 -","- C68 H60 B Fe Hf N14 O8 -","- C136 H120 B2 Fe2 Hf2 N28 O16 -","2","1","","Chuprin, Alexander S.; Dudkin, Semyon V.; Belova, Svetlana A.; Lebed, Ekaterina G.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Synthesis and reactivity of the apically functionalized (pseudo)macrobicyclic iron(ii) tris-dioximates and their hybrid phthalocyaninatoclathrochelate derivatives comprising reactive and vector terminal groups","New Journal of Chemistry","2022","46","22","10863","10877","10.1039/D2NJ01560A","","","1.54178","CuKα","","0.0453","0.0437","","","0.1208","0.1221","","","","","","1.099","","","","has coordinates,has disorder","276650","2022-07-06","08:22:54",""
"7061484","21.989","0.003","12.81","0.002","29.843","0.006","90","","103.223","0.006","90","","8183","2","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H50 B Fe N17 O7 Zr -","- C63 H50 B Fe N17 O7 Zr -","- C252 H200 B4 Fe4 N68 O28 Zr4 -","4","1","","Chuprin, Alexander S.; Dudkin, Semyon V.; Belova, Svetlana A.; Lebed, Ekaterina G.; Dorovatovskii, Pavel V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Synthesis and reactivity of the apically functionalized (pseudo)macrobicyclic iron(ii) tris-dioximates and their hybrid phthalocyaninatoclathrochelate derivatives comprising reactive and vector terminal groups","New Journal of Chemistry","2022","46","22","10863","10877","10.1039/D2NJ01560A","","","0.71073","MoKα","","0.2097","0.0735","","","0.0966","0.1161","","","","","","0.942","","","","has coordinates,has disorder","276650","2022-07-06","08:23:05",""
"7061485","13.4221","0.0005","13.5676","0.0005","15.5152","0.0005","86.964","0.001","68.427","0.001","66.32","0.001","2391.33","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H116 Cl5 Fe2 N16 O15 -","- C90 H116 Cl5 Fe2 N16 O15 -","- C90 H116 Cl5 Fe2 N16 O15 -","1","0.5","","Tyagi, Nidhi; Viji, Mambattakkara; Ramaiah, Danaboyina","μ-Oxo-bridged iron(iii) complexes for the selective reduction of aromatic ketones catalyzed through base promoted in situ nanoparticle formation","New Journal of Chemistry","2022","46","23","11202","11211","10.1039/D2NJ01053D","","","0.71073","MoKα","","0.0683","0.0469","","","0.1301","0.1605","","","","","","1.089","","","","has coordinates","276664","2022-07-06","08:28:33",""
"7061486","16.4065","0.0017","7.3671","0.0008","7.2016","0.0007","90","","108.81","0.002","90","","823.96","0.15","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H12 Fe N8 Ni -","- C12 H12 Fe N8 Ni -","- C24 H24 Fe2 N16 Ni2 -","2","0.25","","Kosone, Takashi; Kosuge, Ryota; Tanaka, Morie; Kawasaki, Takeshi; Adachi, Naoya","New family of Hofmann-like coordination polymers constructed with imidazole ligands and associated with spin crossover and anisotropic thermal expansions","New Journal of Chemistry","2022","46","22","10540","10544","10.1039/D2NJ00766E","","","0.71073","MoKα","","0.0359","0.0281","","","0.0847","0.088","","","","","","1.072","","","","has coordinates","276651","2022-07-06","08:23:29",""
"7061487","14.5159","0.0016","7.2602","0.0008","13.1876","0.0014","90","","90","","90","","1389.8","0.3","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C10 H8 Fe N8 Ni -","- C10 H8 Fe N8 Ni -","- C40 H32 Fe4 N32 Ni4 -","4","0.25","","Kosone, Takashi; Kosuge, Ryota; Tanaka, Morie; Kawasaki, Takeshi; Adachi, Naoya","New family of Hofmann-like coordination polymers constructed with imidazole ligands and associated with spin crossover and anisotropic thermal expansions","New Journal of Chemistry","2022","46","22","10540","10544","10.1039/D2NJ00766E","","","0.71073","MoKα","","0.0595","0.0541","","","0.1472","0.1489","","","","","","1.262","","","","has coordinates,has disorder","276651","2022-07-06","08:23:32",""
"7061488","11.092","0.001","11.3515","0.001","22.452","0.002","102.526","0.002","97.502","0.002","100.733","0.002","2668","0.4","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","alpha-TTF-DPNI","","- C30 H16 N4 O4 S4 -","- C30 H16 N4 O4 S4 -","- C120 H64 N16 O16 S16 -","4","2","","Leong, Chanel F.; Chan, Bun; Liu, Tianfu; Moore, Harrison S.; Hod, Idan; Solomon, Marcello B.; Usov, Pavel M.; Hupp, Joseph T.; Farha, Omar; D’Alessandro, Deanna M.","Charge transfer in mixed and segregated stacks of tetrathiafulvalene, tetrathianaphthalene and naphthalene diimide: a structural, spectroscopic and computational study","New Journal of Chemistry","2022","46","21","10026","10036","10.1039/D2NJ00643J","","","1.54178","CuKα","","0.0341","0.0315","","","0.084","0.0875","","","","","","1.051","","","","has coordinates","275809","2022-06-06","01:57:19",""
"7061489","14.044","","8.232","","11.711","","90","","103.51","","90","","1316.45","","299","2","299.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-bis(pyridin-4-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone [1,4]dithiino[2,3-b][1,4]dithiine","","- C30 H16 N4 O4 S4 -","- C30 H16 N4 O4 S4 -","- C60 H32 N8 O8 S8 -","2","0.5","","Leong, Chanel F.; Chan, Bun; Liu, Tianfu; Moore, Harrison S.; Hod, Idan; Solomon, Marcello B.; Usov, Pavel M.; Hupp, Joseph T.; Farha, Omar; D’Alessandro, Deanna M.","Charge transfer in mixed and segregated stacks of tetrathiafulvalene, tetrathianaphthalene and naphthalene diimide: a structural, spectroscopic and computational study","New Journal of Chemistry","2022","46","21","10026","10036","10.1039/D2NJ00643J","","","1.54178","CuKα","","0.0296","0.0292","","","0.0817","0.0823","","","","","","1.052","","","","has coordinates","275809","2022-06-06","01:57:22",""
"7061490","13.3254","0.0002","8.4711","0.0001","11.8242","0.0001","90","","101.086","0.001","90","","1309.82","0.03","150","","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","beta-TTF-DPNI","","- C30 H16 N4 O4 S4 -","- C30 H16 N4 O4 S4 -","- C60 H32 N8 O8 S8 -","2","0.5","","Leong, Chanel F.; Chan, Bun; Liu, Tianfu; Moore, Harrison S.; Hod, Idan; Solomon, Marcello B.; Usov, Pavel M.; Hupp, Joseph T.; Farha, Omar; D’Alessandro, Deanna M.","Charge transfer in mixed and segregated stacks of tetrathiafulvalene, tetrathianaphthalene and naphthalene diimide: a structural, spectroscopic and computational study","New Journal of Chemistry","2022","46","21","10026","10036","10.1039/D2NJ00643J","","","1.54184","CuKα","","0.0295","0.0282","","","0.0742","0.0756","","","","","","0.855","","","","has coordinates","275809","2022-06-06","01:57:32",""
"7061491","10.606","0.003","14.275","0.004","15.503","0.005","65.747","0.007","88.159","0.007","71.091","0.007","2010.6","1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H16 Cl N O4 -","- C23 H16 Cl N O4 -","- C92 H64 Cl4 N4 O16 -","4","4","","Li, Junhua; Yang, Yan; Wang, Zichu; Shi, Yian","Studies on Pd-catalyzed asymmetric hydroesterification of enimides. A possible approach to optically active β-amino acid derivatives","New Journal of Chemistry","2022","46","20","9507","9510","10.1039/D2NJ01027E","","","0.71073","MoKα","","0.1436","0.0722","","","0.1841","0.2434","","","","","","1.008","","","","has coordinates,has disorder","275798","2022-06-06","01:53:52",""
"7061492","19.448","0.005","10.825","0.003","22.041","0.005","90","","90","","90","","4640","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H24 N3 O2 S -","- C27 H24 N3 O2 S -","- C216 H192 N24 O16 S8 -","8","2","","Zhang, Yahui; Chen, Yi; Guo, Mei; Sun, Ge; Que, Rongbin; Cui, Ranran; Gao, Yu; Chen, Haijun","Direct C–H functionalization of tetrahydro-γ-carbolines at the α-position","New Journal of Chemistry","2022","46","20","9511","9514","10.1039/D2NJ00928E","","","0.71073","MoKα","","0.1068","0.0675","","","0.1635","0.1882","","","","","","1.023","","","","has coordinates,has disorder","275800","2022-06-06","01:54:07",""
"7061493","11.0746","0.0018","11.3733","0.0017","17.772","0.002","90","","103.848","0.005","90","","2173.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl2 N3 O2 S -","- C24 H21 Cl2 N3 O2 S -","- C96 H84 Cl8 N12 O8 S4 -","4","1","","Zhang, Yahui; Chen, Yi; Guo, Mei; Sun, Ge; Que, Rongbin; Cui, Ranran; Gao, Yu; Chen, Haijun","Direct C–H functionalization of tetrahydro-γ-carbolines at the α-position","New Journal of Chemistry","2022","46","20","9511","9514","10.1039/D2NJ00928E","","","0.71073","MoKα","","0.121","0.0873","","","0.1772","0.1937","","","","","","1.075","","","","has coordinates,has disorder","275800","2022-06-06","01:54:07",""
"7061494","6.7765","0.001","16.086","0.002","16.129","0.002","90","","90","","90","","1758.2","0.4","296","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O Se2 -","- C18 H17 N3 O Se2 -","- C72 H68 N12 O4 Se8 -","4","1","","Banerjee, Kaustav; Bhattacherjee, Debojit; Raina, Khyati; Thummer, Rajkumar P.; Bhabak, Krishna Pada","Benzimidazole-based ionic and non-ionic organoselenium compounds: innovative synthetic strategies, structural characterization and preliminary anti-proliferative activities","New Journal of Chemistry","2022","46","24","11910","11926","10.1039/D2NJ01322C","","","0.71073","MoKα","","0.0462","0.0351","","","0.0691","0.0751","","","","","","1.095","","","","has coordinates","276642","2022-07-06","08:20:48",""
"7061495","19.3724","0.0003","19.3724","0.0003","9.8552","0.0003","90","","90","","120","","3203.04","0.12","296","2","296.15","","","","","","","","","5","P -3","-P 3","147","","","","- C108 H96 Cd9 N18 O26 -","- C108 H96 Cd9 N18 O26 -","- C108 H96 Cd9 N18 O26 -","1","0.166667","","Shao, Juan-Juan; Ni, Jian-Ling; Mensah, Abraham; Liang, Yu; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions","New Journal of Chemistry","2022","46","22","10927","10933","10.1039/D2NJ01514E","","","0.71073","MoKα","","0.0371","0.0358","","","0.0962","0.0974","","","","","","1.065","","","","has coordinates","276648","2022-07-06","08:22:15",""
"7061496","9.3931","0.0003","10.747","0.0005","18.2962","0.0007","90","","91.123","0.003","90","","1846.6","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cd3 N6 O8 -","- C36 H32 Cd3 N6 O8 -","- C72 H64 Cd6 N12 O16 -","2","0.5","","Shao, Juan-Juan; Ni, Jian-Ling; Mensah, Abraham; Liang, Yu; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions","New Journal of Chemistry","2022","46","22","10927","10933","10.1039/D2NJ01514E","","","0.71073","MoKα","","0.0523","0.0391","","","0.095","0.1007","","","","","","1.059","","","","has coordinates","276648","2022-07-06","08:22:16",""
"7061497","17.4729","0.0002","11.1879","0.0002","9.71","0.0001","90","","90","","90","","1898.16","0.04","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H76 Cl12 N8 Ru4 S4 -","- C68 H76 Cl12 N8 Ru4 S4 -","- C68 H76 Cl12 N8 Ru4 S4 -","1","0.25","","Akhter, Suffora; Rehman, Abdur; Abidi, S. M. A.; Arjmand, Farukh; Tabassum, Sartaj","Synthesis, structural insights, and biological screening of DNA targeted Ru(ii)(η6-p-cymene) complexes containing bioactive amino-benzothiazole ligand scaffolds","New Journal of Chemistry","2022","46","23","11462","11473","10.1039/D2NJ00883A","","","0.71073","MoKα","","0.0203","0.019","","","0.0494","0.0501","","","","","","0.996","","","","has coordinates","276661","2022-07-06","08:27:41",""
"7061498","13.497","0.0003","7.3836","0.0002","21.9509","0.0006","90","","105.312","0.002","90","","2109.9","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl2 F N2 Ru S -","- C17 H19 Cl2 F N2 Ru S -","- C68 H76 Cl8 F4 N8 Ru4 S4 -","4","1","","Akhter, Suffora; Rehman, Abdur; Abidi, S. M. A.; Arjmand, Farukh; Tabassum, Sartaj","Synthesis, structural insights, and biological screening of DNA targeted Ru(ii)(η6-p-cymene) complexes containing bioactive amino-benzothiazole ligand scaffolds","New Journal of Chemistry","2022","46","23","11462","11473","10.1039/D2NJ00883A","","","0.71073","MoKα","","0.061","0.0453","","","0.0979","0.1046","","","","","","1.035","","","","has coordinates","276661","2022-07-06","08:27:52",""
"7061499","14.37","0.0008","10.2079","0.0006","7.7368","0.0005","90","","90","","90","","1134.89","0.12","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H16 B10 -","- C5 H16 B10 -","- C20 H64 B40 -","4","1","","Minyaylo, E. O.; Kudryavtseva, A. I.; Zubova, V. Y.; Anisimov, A. A.; Zaitsev, A. V.; Ol'shevskaya, V. A.; Dolgushin, F. M.; Peregudov, A. S.; Muzafarov, A. M.","Synthesis of mono- and polyfunctional organosilicon derivatives of polyhedral carboranes for the preparation of hybrid polymer materials","New Journal of Chemistry","2022","46","23","11143","11148","10.1039/D2NJ01266A","","","0.71073","MoKα","","0.0533","0.0435","","","0.1074","0.1149","","","","","","1.02","","","","has coordinates","276667","2022-07-06","08:28:55",""
"7061500","13.2601","0.0017","6.3866","0.0008","15.067","0.0018","90","","110.852","0.004","90","","1192.4","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Bera, Anirban; Patra, Prasanta; Azad, Abulkalam; Ali, Sk Asraf; Manna, Susanta Kumar; Saha, Amit; Samanta, Shubhankar","Neat synthesis of isothiazole compounds, and studies on their synthetic applications and photophysical properties","New Journal of Chemistry","2022","46","24","11685","11694","10.1039/D2NJ01962K","","","0.71073","MoKα","","0.0573","0.0495","","","0.1339","0.1407","","","","","","1.041","","","","has coordinates","276635","2022-07-06","08:18:26",""
"7061501","9.2645","0.0016","10.3915","0.0018","24.989","0.004","80.629","0.004","84.019","0.004","79.944","0.004","2330.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 N4 O Pd -","- C23 H24 Cl2 N4 O Pd -","- C92 H96 Cl8 N16 O4 Pd4 -","4","2","","Bera, Biswajit; Mondal, Sanchaita; Gharami, Saswati; Naskar, Rahul; Das Saha, Krishna; Mondal, Tapan K.","Palladium(ii) and platinum(ii) complexes with ONN donor pincer ligand: synthesis, characterization and in vitro cytotoxicity study","New Journal of Chemistry","2022","46","23","11277","11285","10.1039/D2NJ01894B","","","0.71073","MoKα","","0.1181","0.0983","","","0.1925","0.2001","","","","","","1.071","","","","has coordinates","276660","2022-07-06","08:27:22",""
"7061502","8.3273","0.0007","10.4097","0.0008","13.1711","0.0011","76.354","0.003","79.382","0.003","79.593","0.003","1079.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N4 O Pt -","- C23 H23 Cl N4 O Pt -","- C46 H46 Cl2 N8 O2 Pt2 -","2","1","","Bera, Biswajit; Mondal, Sanchaita; Gharami, Saswati; Naskar, Rahul; Das Saha, Krishna; Mondal, Tapan K.","Palladium(ii) and platinum(ii) complexes with ONN donor pincer ligand: synthesis, characterization and in vitro cytotoxicity study","New Journal of Chemistry","2022","46","23","11277","11285","10.1039/D2NJ01894B","","","0.71073","MoKα","","0.0481","0.0436","","","0.1079","0.1111","","","","","","1.036","","","","has coordinates","276660","2022-07-06","08:27:24",""
"7061503","10.3429","0.0016","28.417","0.004","39.423","0.006","90","","93.408","0.006","90","","11566","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C119 H122 Cd4 N13 O25 -","- C119 H122 Cd4 N13 O25 -","- C476 H488 Cd16 N52 O100 -","4","1","","Karmakar, Anirban; Paul, Anup; Santos, Pedro M. R.; Santos, Inês R. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Design and construction of polyaromatic group containing Cd(ii)-based coordination polymers for solvent-free Strecker-type cyanation of acetals","New Journal of Chemistry","2022","46","21","10201","10212","10.1039/D2NJ00168C","","","0.71073","MoKα","","0.0746","0.0646","","","0.1492","0.1555","","","","","","1.087","","","","has coordinates,has disorder","275813","2022-06-06","01:58:25",""
"7061504","10.2598","0.0008","17.9419","0.0015","34.346","0.003","90","","94.262","0.003","90","","6304.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Cd2 N7 O13 -","- C65 H65 Cd2 N7 O13 -","- C260 H260 Cd8 N28 O52 -","4","1","","Karmakar, Anirban; Paul, Anup; Santos, Pedro M. R.; Santos, Inês R. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Design and construction of polyaromatic group containing Cd(ii)-based coordination polymers for solvent-free Strecker-type cyanation of acetals","New Journal of Chemistry","2022","46","21","10201","10212","10.1039/D2NJ00168C","","","0.71073","MoKα","","0.1097","0.0532","","","0.115","0.137","","","","","","1.053","","","","has coordinates","275813","2022-06-06","01:58:25",""
"7061505","12.365","0.006","21.33","0.011","15.827","0.008","90","","92.395","0.015","90","","4171","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co4 H48 K10 O92 P2 W18 -","- Co4 K10 O92 P2 W18 -","- Co8 K20 O184 P4 W36 -","2","0.5","","Sun, Hao; Jing, Chaojun; Shang, Wenhui; Wang, Fei; Zeng, Muling; Ju, Shijie; Li, Kai; Jia, Zhiyu","Polyoxometalate-based composite cluster with core–shell structure: Co4(PW9)2@graphdiyne as stable electrocatalyst for oxygen evolution and its mechanism research","New Journal of Chemistry","2022","46","24","11553","11561","10.1039/D2NJ01459A","","","0.71073","MoKα","","0.0492","0.037","","","0.0923","0.0996","","","","","","1.02","","","","has coordinates,has disorder","276641","2022-07-06","08:20:31",""
"7061506","16.4608","0.0009","19.5414","0.0011","21.2468","0.0012","73.809","0.001","68.636","0.001","73.241","0.001","5977.6","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H122 Cd3 N18 O33 -","- C104 H75 Cd3 N15 O20 -","- C208 H150 Cd6 N30 O40 -","2","1","","An, Qingbo; Bao, Siqi; Li, Xiao; Sun, Jing; Su, Zhongmin","An anthracene-based microporous metal–organic framework for adsorbing CO2 and detecting TNP sensitivity","New Journal of Chemistry","2022","46","23","11377","11381","10.1039/D2NJ02015G","","x-ray","0.71073","MoKα","K-L~3~","0.0911","0.0495","","","0.1067","0.1165","","","","","","0.925","","","","has coordinates,has disorder","276665","2022-07-06","08:28:40",""
"7061507","7.5573","0.0005","11.0009","0.0009","12.5651","0.0009","94.097","0.003","107.313","0.003","100.799","0.003","970.58","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Cl Cu N4 O6 -","- C17 H23 Cl Cu N4 O6 -","- C34 H46 Cl2 Cu2 N8 O12 -","2","1","","Kuila, Arun; Maity, Ribhu; Acharya, Prasun; Brandao, Paula; Maity, Tithi; Sepay, Nayim; Samanta, Bidhan Chandra","Significant photodegradation of carcinogenic organic dyes by a 1D supramolecular heteroleptic Cu(ii) complex under sunlight irradiation","New Journal of Chemistry","2022","46","24","11804","11811","10.1039/D2NJ01112C","","","0.71073","MoKα","","0.0289","0.0249","","","0.0637","0.0662","","","","","","1.04","","","","has coordinates","276645","2022-07-06","08:21:42",""
"7061508","9.1555","0.0003","9.7802","0.0003","15.0579","0.0005","87.333","0.002","85.052","0.002","86.919","0.002","1340.17","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O5 -","- C29 H24 N4 O5 -","- C58 H48 N8 O10 -","2","1","","He, Shurong; Wang, Jie; Zheng, Jinfeng; Luo, Qing-Qing; Leng, Haijun; Zheng, Sixiang; Peng, Cheng; Han, Bo; Zhan, Gu","Organocatalytic (5+1) benzannulation of Morita–Baylis–Hillman carbonates: synthesis of multisubstituted 4-benzylidene pyrazolones","New Journal of Chemistry","2022","46","24","11617","11622","10.1039/D2NJ01949C","","","1.54178","CuKα","","0.1202","0.0617","","","0.1281","0.1576","","","","","","1.097","","","","has coordinates","276639","2022-07-06","08:19:54",""
"7061509","12.3454","0.0005","17.3923","0.0006","16.0726","0.0006","90","","95.603","0.002","90","","3434.5","0.2","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H25.2 N4 O6 -","- C40 H25.2 N4 O6 -","- C160 H100.8 N16 O24 -","4","1","","He, Shurong; Wang, Jie; Zheng, Jinfeng; Luo, Qing-Qing; Leng, Haijun; Zheng, Sixiang; Peng, Cheng; Han, Bo; Zhan, Gu","Organocatalytic (5+1) benzannulation of Morita–Baylis–Hillman carbonates: synthesis of multisubstituted 4-benzylidene pyrazolones","New Journal of Chemistry","2022","46","24","11617","11622","10.1039/D2NJ01949C","","","1.54178","CuKα","","0.0805","0.0606","","","0.1719","0.1959","","","","","","1.051","","","","has coordinates","276639","2022-07-06","08:19:57",""
"7061510","11.2155","0.0012","18.933","0.002","22.6","0.003","104.219","0.004","99.501","0.004","92.327","0.004","4571.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 I N3 O -","- C14 H28 I N3 O -","- C140 H280 I10 N30 O10 -","10","5","","Arruda da Mata, Álvaro Farias; Glanzmann, Nicolas; Fazza Stroppa, Pedro Henrique; Terra Martins, Felipe; das Chagas, Rafael Pavão; da Silva, Adilson David; Milani, Jorge Luiz Sônego","Single-component, metal-free, solvent-free HO-functionalized 1,2,3-triazole-based ionic liquid catalysts for efficient CO2 conversion","New Journal of Chemistry","2022","46","25","12237","12243","10.1039/D2NJ02052A","","","0.71073","MoKα","","0.0975","0.0458","","","0.1048","0.1274","","","","","","1.035","","","","has coordinates","276659","2022-07-06","08:27:00",""
"7061511","8.0687","0.0008","6.5157","0.0005","26.9123","0.0017","90","","90.204","0.007","90","","1414.9","0.2","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N4 O S -","- C15 H9 Cl N4 O S -","- C60 H36 Cl4 N16 O4 S4 -","4","1","","Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan","Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking","New Journal of Chemistry","2022","46","22","10628","10636","10.1039/D2NJ00561A","","","0.71073","MoKα","","0.1044","0.0902","","","0.2512","0.2578","","","","","","1.102","","","","has coordinates","276649","2022-07-06","08:22:31",""
"7061512","6.5832","0.0008","7.6795","0.001","13.7007","0.0013","97.024","0.009","91.925","0.009","96.046","0.01","682.87","0.14","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N5 O -","- C15 H10 Cl N5 O -","- C30 H20 Cl2 N10 O2 -","2","1","","Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan","Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking","New Journal of Chemistry","2022","46","22","10628","10636","10.1039/D2NJ00561A","","","0.71073","MoKα","","0.1089","0.053","","","0.1037","0.1274","","","","","","1.026","","","","has coordinates","276649","2022-07-06","08:22:34",""
"7061513","46.389","0.0018","9.2469","0.0006","15.7793","0.0009","90","","90","","90","","6768.6","0.6","292","2","292","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H49 Cl N6 O3 -","- C31 H49 Cl N6 O3 -","- C248 H392 Cl8 N48 O24 -","8","1","","Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan","Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking","New Journal of Chemistry","2022","46","22","10628","10636","10.1039/D2NJ00561A","","","0.71073","MoKα","","0.2003","0.0653","","","0.1336","0.189","","","","","","0.954","","","","has coordinates,has disorder","276649","2022-07-06","08:22:35",""
"7061514","23.0412","0.0009","9.3628","0.0004","15.739","0.0007","90","","98.319","0.004","90","","3359.7","0.2","292","2","292","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C31 H48 Cl N5 O3 S -","- C31 H48 Cl N5 O3 S -","- C124 H192 Cl4 N20 O12 S4 -","4","1","","Kumari, Annu; Dehaen, Wim; Chopra, Deepak; Dey, Swapan","Imidazopyridine–fluoride interaction: solvent-switched AIE effects via S⋯O conformational locking","New Journal of Chemistry","2022","46","22","10628","10636","10.1039/D2NJ00561A","","","0.71073","MoKα","","0.0925","0.056","","","0.1362","0.1523","","","","","","1.012","","","","has coordinates","276649","2022-07-06","08:22:37",""
"7061515","9.46594","0.00008","17.66158","0.00014","23.8239","0.0002","90","","90.2849","0.0007","90","","3982.91","0.06","130","","130","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 N2 O7 -","- C47 H50 N2 O7 -","- C188 H200 N8 O28 -","4","1","","Tlustý, M.; Eigner, V.; Dvořáková, H.; Lhoták, P.","The atropisomeric dynamic behaviour of symmetrical N-acylated amine-bridged calix[4]arenes","New Journal of Chemistry","2022","46","24","11774","11781","10.1039/D2NJ01533A","","","1.54184","CuKα","","0.0403","0.0368","","0.095","0.0922","0.095","","","","","","0.9781","","","","has coordinates,has disorder","276640","2022-07-06","08:20:15",""
"7061516","8.246","0.0004","12.1991","0.0004","14.6014","0.0006","90","","105.973","0.004","90","","1412.1","0.1","180","0.14","180","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 Cl6 Fe N18 -","- C14 H16 B2 Cl6 Fe N18 -","- C28 H32 B4 Cl12 Fe2 N36 -","2","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","x-ray","0.71073","MoKα","","0.0519","0.0403","","","0.0802","0.0848","","","","","","1.047","","","","has coordinates","276636","2022-07-06","08:18:45",""
"7061517","13.3415","0.0003","13.3415","0.0003","48.9618","0.0011","90","","90","","120","","7547.4","0.3","159.9","0.2","159.9","0.2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C26 H56 B2 Fe N18 O7 S7 -","- C26.0004 H56.0012 B2 Fe N18 O7.0002 S7.0002 -","- C156.002 H336.007 B12 Fe6 N108 O42.0012 S42.0012 -","6","0.166667","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.0577","0.0441","","","0.1023","0.1088","","","","","","1.06","","","","has coordinates,has disorder","276636","2022-07-06","08:18:52",""
"7061518","8.2563","0.0013","8.2491","0.0019","15.902","0.004","90","","100.91","0.02","90","","1063.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C24 H28 B4 Fe2 N36 -","2","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","x-ray","0.71073","MoKα","","0.2663","0.241","","","0.5271","0.5393","","","","","","1.104","","","","has coordinates","276636","2022-07-06","08:18:52",""
"7061519","8.3929","0.0013","9.0045","0.0015","10.0309","0.0016","86.465","0.013","84.49","0.013","65.635","0.016","687.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H26 B2 Fe N18 O2 S2 -","- C16 H26 B2 Fe N18 O2 S2 -","- C16 H26 B2 Fe N18 O2 S2 -","1","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.0944","0.0591","","","0.0894","0.1033","","","","","","0.996","","","","has coordinates","276636","2022-07-06","08:18:52",""
"7061520","8.3469","0.0005","15.7421","0.0007","22.5116","0.0009","90","","90","","90","","2958","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H30 B2 Fe N20 O3 -","- C18 H30 B2 Fe N20 O3 -","- C72 H120 B8 Fe4 N80 O12 -","4","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.089","0.0537","","","0.0945","0.1082","","","","","","1.053","","","","has coordinates,has disorder","276636","2022-07-06","08:18:52",""
"7061521","10.4567","0.0008","8.2415","0.0005","13.9101","0.0008","90","","99.208","0.007","90","","1183.31","0.14","180","0.1","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 B2 Fe N18 O2 -","- C14 H22 B2 Fe N18 O2 -","- C28 H44 B4 Fe2 N36 O4 -","2","0.5","","Horniichuk, Oleksandr Ye.; Ridier, Karl; Molnár, Gábor; Kotsyubynsky, Volodymyr O.; Shova, Sergiu; Amirkhanov, Vladimir M.; Gural'skiy, Il’ya A.; Salmon, Lionel; Bousseksou, Azzedine","Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(ii)","New Journal of Chemistry","2022","46","24","11734","11740","10.1039/D2NJ01471H","","","0.71073","MoKα","","0.0768","0.0538","","","0.0862","0.0932","","","","","","1.084","","","","has coordinates","276636","2022-07-06","08:18:52",""
"7061522","9.3841","0.0006","23.6505","0.0015","10.8848","0.0008","90","","113.734","0.002","90","","2211.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O8 -","- C25 H21 N O8 -","- C100 H84 N4 O32 -","4","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.0707","0.0469","","","0.1037","0.1154","","","","","","1.024","","","","has coordinates","276646","2022-07-06","08:21:54",""
"7061523","10.5899","0.0009","26.536","0.002","8.502","0.0008","90","","111.815","0.002","90","","2218.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br N O8 -","- C24 H18 Br N O8 -","- C96 H72 Br4 N4 O32 -","4","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.1045","0.0508","","","0.0842","0.0982","","","","","","1.015","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061524","10.7735","0.0005","27.2243","0.0014","8.3743","0.0004","90","","112.427","0.0015","90","","2270.41","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl N O8 -","- C25 H20 Cl N O8 -","- C100 H80 Cl4 N4 O32 -","4","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.0613","0.0412","","","0.0914","0.101","","","","","","1.034","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061525","7.779","0.001","10.3103","0.0013","13.8093","0.0018","101.22","0.004","102.899","0.004","107.946","0.004","984.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O6 -","- C23 H19 N O6 -","- C46 H38 N2 O12 -","2","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.0588","0.0444","","","0.1124","0.1213","","","","","","1.034","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061526","9.6614","0.0013","10.9894","0.0014","12.1915","0.0015","78.66","0.004","87.713","0.004","64.648","0.004","1145.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O8 -","- C26 H23 N O8 -","- C52 H46 N2 O16 -","2","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.0827","0.0646","","","0.1623","0.1715","","","","","","1.07","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061527","11.3861","0.0008","11.8929","0.0009","13.0322","0.0009","95.335","0.002","105.086","0.002","114.424","0.002","1510.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Br N O7 S -","- C27 H26 Br N O7 S -","- C54 H52 Br2 N2 O14 S2 -","2","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.079","0.0478","","","0.1266","0.1405","","","","","","1.054","","","","has coordinates,has disorder","276646","2022-07-06","08:21:55",""
"7061528","32.278","0.006","11.396","0.002","12.247","0.002","90","","90","","90","","4504.9","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cl N O6 -","- C26 H22 Cl N O6 -","- C208 H176 Cl8 N8 O48 -","8","1","","Liu, Xueyan; Sun, Jing; Yan, Chao-Guo","Convenient construction of polycyclic architectures via multicomponent reaction of amino acids, dialkyl but-2-ynedioates and 2-(o-hydroxyarylidene)-1,3-indanediones","New Journal of Chemistry","2022","46","24","11877","11882","10.1039/D2NJ01135B","","","0.71073","MoKα","","0.1084","0.077","","","0.1764","0.187","","","","","","1.037","","","","has coordinates","276646","2022-07-06","08:21:55",""
"7061529","5.04","0.003","10.621","0.006","22.193","0.011","90","","90","","90","","1188","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O8 Zn2 -","- C20 H20 Cl2 N2 O8 Zn2 -","- C40 H40 Cl4 N4 O16 Zn4 -","2","0.5","","Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui","Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions","New Journal of Chemistry","2022","46","27","12910","12917","10.1039/D2NJ01686A","","","0.71073","MoKα","","0.0408","0.0355","","","0.0829","0.0849","","","","","","1.028","","","","has coordinates","277128","2022-08-06","11:56:59",""
"7061530","23.2647","0.0018","23.2647","0.0018","9.6364","0.0007","90","","90","","90","","5215.7","0.7","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C10 H10 Cl N O4 Zn -","- C10 H10 Cl N O4 Zn -","- C160 H160 Cl16 N16 O64 Zn16 -","16","1","","Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui","Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions","New Journal of Chemistry","2022","46","27","12910","12917","10.1039/D2NJ01686A","","","0.71073","MoKα","","0.0532","0.0408","","","0.1118","0.1165","","","","","","1.083","","","","has coordinates","277128","2022-08-06","11:57:00",""
"7061531","15.9066","0.0013","13.5695","0.0011","15.9528","0.0015","90","","90.606","0.007","90","","3443.1","0.5","296","2","296.15","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl2 N4 O6 Zn2 -","- C30 H24 Cl2 N4 O6 Zn2 -","- C120 H96 Cl8 N16 O24 Zn8 -","4","1","","Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui","Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions","New Journal of Chemistry","2022","46","27","12910","12917","10.1039/D2NJ01686A","","","0.71073","MoKα","","0.0578","0.047","","","0.116","0.1195","","","","","","0.999","","","","has coordinates","277128","2022-08-06","11:57:00",""
"7061532","5.0045","0.001","16.99","0.003","22.671","0.005","90","","90","","90","","1927.6","0.7","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0572","0.0471","","","0.1081","0.113","","","","","","1.013","","","","has coordinates","276637","2022-07-06","08:19:11",""
"7061533","6.8304","0.0003","12.7488","0.0005","24.0214","0.0008","90","","95.584","0.003","90","","2081.84","0.14","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F3 N2 O3 S -","- C27 H15 F3 N2 O3 S -","- C108 H60 F12 N8 O12 S4 -","4","1","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0584","0.0476","","","0.1193","0.126","","","","","","1.035","","","","has coordinates","276637","2022-07-06","08:19:11",""
"7061534","8.5338","0.0003","11.7951","0.0004","12.6718","0.0004","72.454","0.003","71.768","0.003","86.42","0.003","1154.39","0.07","170","0.12","170","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N4 O7 -","- C27 H18 Cd N4 O7 -","- C54 H36 Cd2 N8 O14 -","2","1","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0247","0.022","","","0.0485","0.0494","","","","","","1.003","","","","has coordinates","276637","2022-07-06","08:19:11",""
"7061535","9.7994","0.0003","13.3018","0.0004","17.3876","0.0004","76.769","0.002","78.23","0.002","89.087","0.002","2158.79","0.11","169.99","0.1","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H36 Cu F3 N4 O4 S -","- C57 H36 Cu F3 N4 O4 S -","- C114 H72 Cu2 F6 N8 O8 S2 -","2","1","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0598","0.0469","","","0.1254","0.1358","","","","","","1.035","","","","has coordinates","276637","2022-07-06","08:19:11",""
"7061536","15.6299","0.0006","56.8151","0.0011","37.3175","0.0007","90","","90","","90","","33138.5","1.6","169.98","0.13","169.98","0.13","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C52 H30 Ag F6 N4 O P -","- C52 H28 Ag F6 N4 O P -","- C1664 H896 Ag32 F192 N128 O32 P32 -","32","2","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0943","0.0839","","","0.2205","0.2342","","","","","","1.006","","","","has coordinates,has disorder","276637","2022-07-06","08:19:11",""
"7061537","25.943","0.002","8.5434","0.0006","15.744","0.0013","90","","122.865","0.003","90","","2931","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co N8 O4 S2 -","- C26 H28 Co N8 O4 S2 -","- C104 H112 Co4 N32 O16 S8 -","4","0.5","","Gond, M. K.; Pandey, Shivendra Kumar; Singh, R.; Bharty, Manoj K.; Manna, Partha Pratim; Singh, V. K.; Maiti, B.; Prasad, L. B.; Butcher, R. J.","In vitro and In silico anticancer activities of Mn(ii), Co(ii), and Ni(ii) complexes: synthesis, characterization, crystal structures, and DFT studies","New Journal of Chemistry","2022","","","","","10.1039/D2NJ00264G","","","0.71073","MoKα","","0.1307","0.0625","","","0.1428","0.1919","","","","","","1.064","","","","has coordinates","275618","2022-05-24","00:13:25",""
"7061538","25.943","0.002","8.5434","0.0006","15.744","0.0013","90","","122.865","0.003","90","","2931","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N8 Ni O4 S2 -","- C26 H28 N8 Ni O4 S2 -","- C104 H112 N32 Ni4 O16 S8 -","4","0.5","","Gond, M. K.; Pandey, Shivendra Kumar; Singh, R.; Bharty, Manoj K.; Manna, Partha Pratim; Singh, V. K.; Maiti, B.; Prasad, L. B.; Butcher, R. J.","In vitro and In silico anticancer activities of Mn(ii), Co(ii), and Ni(ii) complexes: synthesis, characterization, crystal structures, and DFT studies","New Journal of Chemistry","2022","","","","","10.1039/D2NJ00264G","","","0.71073","MoKα","","0.1294","0.0615","","","0.1379","0.1852","","","","","","1.057","","","","has coordinates","275618","2022-05-24","00:13:28",""
"7061539","20.4559","0.001","31.3664","0.0017","18.7949","0.001","90","","119.644","0.002","90","","10481","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H88 Mn3 N24 O14 S6 -","- C108 H88.0052 Mn3 N24 O14.0026 S6 -","- C432 H352.021 Mn12 N96 O56.0104 S24 -","4","0.5","","Gond, M. K.; Pandey, Shivendra Kumar; Singh, R.; Bharty, Manoj K.; Manna, Partha Pratim; Singh, V. K.; Maiti, B.; Prasad, L. B.; Butcher, R. J.","In vitro and In silico anticancer activities of Mn(ii), Co(ii), and Ni(ii) complexes: synthesis, characterization, crystal structures, and DFT studies","New Journal of Chemistry","2022","","","","","10.1039/D2NJ00264G","","","0.71073","MoKα","","0.0691","0.0416","","","0.0928","0.1045","","","","","","1.022","","","","has coordinates,has disorder","275618","2022-05-24","00:13:39",""
"7061540","7.4052","0.0002","12.3354","0.0004","18.1291","0.0007","77.506","0.003","79.715","0.003","72.971","0.003","1534.11","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl3 Co N10 O3 -","- C24 H40 Cl3 Co N10 O3 -","- C48 H80 Cl6 Co2 N20 O6 -","2","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0332","0.0269","","","0.0766","0.0809","","","","","","1.001","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061541","7.35555","0.00013","10.3264","0.0006","16.013","0.001","93.856","0.005","90.491","0.003","97.85","0.003","1201.97","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 Cl Co N6 O11 -","- C16 H34 Cl Co N6 O11 -","- C32 H68 Cl2 Co2 N12 O22 -","2","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0625","0.0408","","","0.0879","0.0926","","","","","","1.003","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061542","7.6522","0.0005","10.2432","0.0006","13.028","0.0009","76.309","0.005","85.404","0.006","87.889","0.005","988.8","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H30 Cl Co N6 O9 S -","- C7 H30 Cl Co N6 O9 S -","- C14 H60 Cl2 Co2 N12 O18 S2 -","2","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0505","0.0404","","","0.1096","0.1186","","","","","","1.003","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061543","7.068","0.00016","14.9483","0.0004","16.6898","0.0004","112.767","0.002","95.231","0.0019","100.73","0.002","1571.39","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 Co N6 O11 -","- C28 H41 Co N6 O11 -","- C56 H82 Co2 N12 O22 -","2","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0294","0.0255","","","0.069","0.0716","","","","","","1.001","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061544","23.3823","0.0009","6.834","0.0004","9.4859","0.0005","90","","90","","90","","1515.8","0.13","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H23 Cl Co N7 O5 -","- C7 H23 Cl Co N7 O5 -","- C28 H92 Cl4 Co4 N28 O20 -","4","0.5","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0518","0.0381","","","0.0783","0.0854","","","","","","1.055","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061545","7.4396","0.0015","8.3675","0.0019","24.286","0.003","87.06","0.015","83.102","0.015","66.39","0.02","1375.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H38 Cl Co2 N8 O15 -","- C14 H38 Cl Co2 N8 O15 -","- C28 H76 Cl2 Co4 N16 O30 -","2","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.1285","0.084","","","0.217","0.2332","","","","","","1.004","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061546","13.5256","0.0008","25.1559","0.0013","13.7454","0.0008","90","","112.588","0.007","90","","4318.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H59 Co2 N12 O18.5 S3 -","- C23 H59 Co2 N12 O18.5 S3 -","- C92 H236 Co8 N48 O74 S12 -","4","1","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0989","0.0748","","","0.209","0.2241","","","","","","1.006","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061547","28.3469","0.0003","28.3469","0.0003","34.2636","0.0004","90","","90","","120","","23843.8","0.5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C168 H438 Cl Co19 N90 O180 -","- C168 H348 Cl1.0002 Co19 N89.9996 O180 -","- C504 H1044 Cl3.0006 Co57 N269.999 O540 -","3","0.166667","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0861","0.0591","","","0.1624","0.1838","","","","","","1.001","","","","has coordinates,has disorder","276663","2022-07-06","08:28:27",""
"7061548","12.7503","0.0003","6.96314","0.00016","22.1399","0.0005","90","","91.18","0.002","90","","1965.21","0.08","173","2","173.15","","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C8 H29 Cl2 Co N6 O7 -","- C8 H23 Cl2 Co N6 O4 -","- C32 H92 Cl8 Co4 N24 O16 -","4","0.5","","Darii, Mariana; Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Bourosh, Paulina; Chumakov, Yurii; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia; Sultanova, Olga; Baca, Svetlana G.","Crystalline multicomponent compounds involving hexaammine cobalt(iii) cations","New Journal of Chemistry","2022","46","23","11404","11421","10.1039/D2NJ01655A","","","0.71073","MoKα","","0.0426","0.0332","","","0.0809","0.0888","","","","","","1.0388","","","","has coordinates","276663","2022-07-06","08:28:27",""
"7061549","26.676","0.002","11.1232","0.0008","8.1112","0.0006","90","","103.747","0.004","90","","2337.8","0.3","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N5 O4 -","- C27 H21 N5 O4 -","- C108 H84 N20 O16 -","4","0.5","","Mohan Das, Krishna; Pal, Adwitiya; Goswami, Bappaditya; Adarsh, Nayarassery N.; Thakur, Arunabha","Strategic design of a 2,6-disubstituted pyridine-based probe having hard-soft centers: responsive divergence from one core","New Journal of Chemistry","2022","46","25","12103","12119","10.1039/D2NJ02246J","","","0.71073","MoKα","","0.0761","0.0569","","","0.1188","0.1283","","","","","","1.071","","","","has coordinates","276656","2022-07-06","08:25:38",""
"7061550","11.367","0.005","14.758","0.005","16.373","0.006","84.017","0.011","78.118","0.012","80.397","0.011","2643.2","1.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H78 Cl Eu N4 O -","- C54 H78 Cl Eu N4 O -","- C108 H156 Cl2 Eu2 N8 O2 -","2","1","","Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)","New Journal of Chemistry","2022","46","25","11994","12001","10.1039/D2NJ01589G","","","0.71073","MoKα","","0.1985","0.0677","","","0.0852","0.1113","","","","","","0.944","","","","has coordinates","276653","2022-07-06","08:24:28",""
"7061551","13.123","0.0003","37.94","0.0007","16.4938","0.0003","90","","96.375","0.001","90","","8161.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H125 Eu N6 -","- C92.5 H125 Eu N6 -","- C370 H500 Eu4 N24 -","4","1","","Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)","New Journal of Chemistry","2022","46","25","11994","12001","10.1039/D2NJ01589G","","","1.54178","CuKα","","0.0672","0.0586","","","0.1367","0.1409","","","","","","1.135","","","","has coordinates,has disorder","276653","2022-07-06","08:24:40",""
"7061552","12.0671","0.0007","12.7845","0.0008","19.7004","0.0012","84.194","0.002","86.763","0.002","64.066","0.002","2718.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 Eu N4 O2 -","- C58 H86 Eu N4 O2 -","- C116 H172 Eu2 N8 O4 -","2","1","","Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)","New Journal of Chemistry","2022","46","25","11994","12001","10.1039/D2NJ01589G","","","0.71073","MoKα","","0.0578","0.0402","","","0.0687","0.0737","","","","","","1.017","","","","has coordinates,has disorder","276653","2022-07-06","08:24:43",""
"7061553","10.7849","0.0005","27.0152","0.0013","21.9212","0.001","90","","94.847","0.001","90","","6364","0.5","150","4","150","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(N,N'-bis(2,6-diisopropylphenyl)formamidinato-chloro-bis(tetrahydrofuran)-neodimium(iii) di-tetrahydrofuran solvate","","- C66 H102 Cl N4 Nd O4 -","- C66 H102 Cl N4 Nd O4 -","- C264 H408 Cl4 N16 Nd4 O16 -","4","1","","Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)","New Journal of Chemistry","2022","46","25","11994","12001","10.1039/D2NJ01589G","","","0.71073","MoKα","","0.0735","0.059","","","0.1287","0.1354","","","","","","1.103","","","","has coordinates","276653","2022-07-06","08:24:53",""
"7061554","13.083","0.0003","20.4856","0.0005","26.371","0.0006","90","","100.075","0.001","90","","6958.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris-(bis-(2,6-diisopropylphenyl)formanidinate) neodymium (III)","","- C75 H105 N6 Nd -","- C75 H105 N6 Nd -","- C300 H420 N24 Nd4 -","4","1","","Bashirov, Denis A.; Kolybalov, Dmitry S.; Mironova, Olga A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.","On the usability of salt metathesis reactions for the synthesis of sterically crowded tris-formamidinate Ln(iii) complexes: success and limits. Spontaneous reduction of Eu(iii) to Eu(ii)","New Journal of Chemistry","2022","46","25","11994","12001","10.1039/D2NJ01589G","","","0.71073","MoKα","","0.1073","0.0763","","","0.1403","0.149","","","","","","1.301","","","","has coordinates","276653","2022-07-06","08:24:56",""
"7061555","10.9511","0.0008","7.5328","0.0006","12.7907","0.0009","90","","99.332","0.003","90","","1041.17","0.13","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","2","","Wang, Yu; Xu, Yaoyao; Khan, Shahid; Zhang, Zhunjie; Khan, Ajmal","Selective approach to N-substituted tertiary 2-pyridones","New Journal of Chemistry","2022","46","23","11138","11142","10.1039/D2NJ01065H","","x-ray","0.71073","MoKα","","0.0677","0.0489","","","0.1116","0.1234","","","","","","1.042","","","","has coordinates,has disorder","276666","2022-07-06","08:28:45",""
"7061556","19.3502","0.0003","11.1444","0.0001","14.4386","0.0002","90","","120.593","0.001","90","","2680.23","0.07","150","2","150.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H64 N9 O27 Tb2 -","- C39 H64 N9 O27 Tb2 -","- C78 H128 N18 O54 Tb4 -","2","0.5","","Chen, Bao-Li; Sun, Yan-Mei; Xiang, Hua; Lin, Mu-Xiong; Li, Jian-Han; Huang, Yong-Liang","A thermostable terbium(iii) complex with high fluorescence quantum yields","New Journal of Chemistry","2022","46","23","11021","11024","10.1039/D2NJ01250B","","","1.54178","CuKα","","0.0254","0.0251","","","0.0669","0.0673","","","","","","1.054","","","","has coordinates,has disorder","276662","2022-07-06","08:28:00",""
"7061557","8.4291","0.0015","16.414","0.003","16.973","0.003","72.135","0.007","80.514","0.007","89.314","0.009","2202.6","0.7","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H45 Cu6 N5 O32 -","- C59 H45 Cu6 N5 O32 -","- C59 H45 Cu6 N5 O32 -","1","0.5","","Chai, Juan; Yuan, Luohao; Wang, Shiwei; Li, Tong; Wu, Mingxue; Huang, Zhiwei; Yin, Hongfeng","A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2","New Journal of Chemistry","2022","46","25","12372","12380","10.1039/D2NJ01981G","","","0.71073","MoKα","","0.0644","0.0477","","","0.124","0.132","","","","","","1.033","","","","has coordinates,has disorder","276657","2022-07-06","08:26:13",""
"7061558","9.2608","0.0003","10.6337","0.0004","13.1879","0.0005","82.385","0.001","85.159","0.001","70.816","0.001","1214.6","0.08","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H30 Cu3 N6 O13 -","- C52 H30 Cu3 N6 O13 -","- C52 H30 Cu3 N6 O13 -","1","0.5","","Chai, Juan; Yuan, Luohao; Wang, Shiwei; Li, Tong; Wu, Mingxue; Huang, Zhiwei; Yin, Hongfeng","A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2","New Journal of Chemistry","2022","46","25","12372","12380","10.1039/D2NJ01981G","","","0.71073","MoKα","","0.0462","0.0361","","","0.09","0.0969","","","","","","1.059","","","","has coordinates","276657","2022-07-06","08:26:17",""
"7061559","27.4616","0.0007","23.3296","0.0006","14.1872","0.0004","90","","105.775","0.001","90","","8747","0.4","289","2","289","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 Cu8 N5 O38 -","- C56 H42 Cu8 N5 O38 -","- C224 H168 Cu32 N20 O152 -","4","0.5","","Chai, Juan; Yuan, Luohao; Wang, Shiwei; Li, Tong; Wu, Mingxue; Huang, Zhiwei; Yin, Hongfeng","A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2","New Journal of Chemistry","2022","46","25","12372","12380","10.1039/D2NJ01981G","","","1.54178","CuKα","","0.0485","0.0454","","","0.1337","0.137","","","","","","1.0349","","","","has coordinates,has disorder","276657","2022-07-06","08:26:17",""
"7061560","14.1719","0.0005","8.9226","0.0003","5.6638","0.0002","90","","90","","90","","716.19","0.04","173","2","173","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C19 H14 N -","- C19 H14 N -","- C38 H28 N2 -","2","0.5","","Zhang, Fang; An, Yi; Liu, Jichang; Du, Guangfen; Cai, Zhihua; He, Lin","Assembly of unsymmetrical 1,3,5-triarylbenzenes via tandem reaction of β-arylethenesulfonyl fluorides and α-cyano-β-methylenones","New Journal of Chemistry","2022","46","25","12367","12371","10.1039/D2NJ01549H","","","1.54178","CuKα","","0.0353","0.0337","","","0.0925","0.0936","","","","","","1.083","","","","has coordinates,has disorder","276654","2022-07-06","08:25:02",""
"7061561","8.7406","0.0008","28.034","0.005","8.0013","0.0008","90","","90","","90","","1960.6","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H18 Br2 Cu N2 O5 -","- C18 H18 Br2 Cu N2 O5 -","- C72 H72 Br8 Cu4 N8 O20 -","4","0.5","","Mohan, Nithya; Vidhya, C. V.; Suni, V.; Mohamed Ameer, Jimna; Kasoju, Naresh; Mohanan, P. V.; Sreejith, S. S.; Prathapachandra Kurup, M. R.","Copper(ii) salen-based complexes as potential anticancer agents","New Journal of Chemistry","2022","46","26","12540","12550","10.1039/D2NJ02170F","","","0.71073","MoKα","","0.1305","0.0531","","","0.0996","0.1199","","","","","","1.026","","","","has coordinates,has disorder","277131","2022-08-06","11:57:36",""
"7061562","12.8088","0.001","12.5718","0.0009","14.2153","0.001","90","","99.738","0.004","90","","2256.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br2 Cu N2 O5 -","- C21 H24 Br2 Cu N2 O5 -","- C84 H96 Br8 Cu4 N8 O20 -","4","1","","Mohan, Nithya; Vidhya, C. V.; Suni, V.; Mohamed Ameer, Jimna; Kasoju, Naresh; Mohanan, P. V.; Sreejith, S. S.; Prathapachandra Kurup, M. R.","Copper(ii) salen-based complexes as potential anticancer agents","New Journal of Chemistry","2022","46","26","12540","12550","10.1039/D2NJ02170F","","","0.71073","MoKα","","0.0626","0.0376","","","0.1061","0.1245","","","","","","0.804","","","","has coordinates","277131","2022-08-06","11:57:37",""
"7061563","23.6193","0.0019","9.4893","0.0006","20.9455","0.0018","90","","112.966","0.008","90","","4322.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H27 Cu N2 O6 -","- C21 H27 Cu N2 O6 -","- C168 H216 Cu8 N16 O48 -","8","1","","Mohan, Nithya; Vidhya, C. V.; Suni, V.; Mohamed Ameer, Jimna; Kasoju, Naresh; Mohanan, P. V.; Sreejith, S. S.; Prathapachandra Kurup, M. R.","Copper(ii) salen-based complexes as potential anticancer agents","New Journal of Chemistry","2022","46","26","12540","12550","10.1039/D2NJ02170F","","","0.71073","MoKα","","0.0529","0.0346","","","0.0925","0.1028","","","","","","1.031","","","","has coordinates","277131","2022-08-06","11:57:37",""
"7061564","9.4774","0.0003","10.1088","0.0003","13.608","0.0004","111.289","0.001","107.704","0.001","92.871","0.001","1138.15","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Co N4 O7 -","- C24 H21 Co N4 O7 -","- C48 H42 Co2 N8 O14 -","2","1","","Dong, Xiuyan; Zhang, Xiaoyu; Li, Yuyan; Xiong, Dingqi; Fu, Pengkun; Afzal, Mohd; Alarifi, Abdullah; Sakiyama, Hiroshi","Impact of N-donor auxiliary ligands on two new Co(ii)-based MOFs with N-heterocyclic ligands and a magnetism study","New Journal of Chemistry","2022","46","24","11623","11631","10.1039/D2NJ01675C","","","1.34139","GaKα","","0.0374","0.0364","","","0.1267","0.1279","","","","","","1.115","","","","has coordinates","276634","2022-07-06","08:18:20",""
"7061565","17.1211","0.0002","16.1892","0.0002","15.1628","0.0002","90","","97.034","0.001","90","","4171.15","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Co N3 O4 -","- C23 H14 Co N3 O4 -","- C184 H112 Co8 N24 O32 -","8","1","","Dong, Xiuyan; Zhang, Xiaoyu; Li, Yuyan; Xiong, Dingqi; Fu, Pengkun; Afzal, Mohd; Alarifi, Abdullah; Sakiyama, Hiroshi","Impact of N-donor auxiliary ligands on two new Co(ii)-based MOFs with N-heterocyclic ligands and a magnetism study","New Journal of Chemistry","2022","46","24","11623","11631","10.1039/D2NJ01675C","","x-ray","1.54184","CuKα","","0.0431","0.0333","","","0.0821","0.0924","","","","","","1.086","","","","has coordinates","276634","2022-07-06","08:18:20",""
"7061566","22.6343","0.0013","22.6343","0.0013","67.098","0.003","90","","90","","120","","29770","3","150","2","150","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C183 H156 N24 O3 Zn3 -","- C183 H156 N24 O3 Zn3 -","- C1098 H936 N144 O18 Zn18 -","6","0.333333","","Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang","Photophysical behaviors of a shape-persistent zinc porphyrin organic cage","New Journal of Chemistry","2022","46","24","11782","11787","10.1039/D2NJ00734G","","","1.54184","CuKα","","0.1307","0.0955","","","0.2587","0.2987","","","","","","0.897","","","","has coordinates","276638","2022-07-06","08:19:36",""
"7061567","22.6043","0.0006","22.6043","0.0006","66.9671","0.0016","90","","90","","120","","29632.9","1.3","150","","150","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C183 H156 N24 O3 Zn3 -","- C183 H156 N24 O3 Zn3 -","- C1098 H936 N144 O18 Zn18 -","6","0.333333","","Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang","Photophysical behaviors of a shape-persistent zinc porphyrin organic cage","New Journal of Chemistry","2022","46","24","11782","11787","10.1039/D2NJ00734G","","","0.71073","MoKα","","0.1271","0.0962","","","0.2523","0.2759","","","","","","0.985","","","","has coordinates","276638","2022-07-06","08:19:39",""
"7061568","10.8976","0.0005","10.7327","0.0005","22.0512","0.001","90","","99.464","0.003","90","","2544","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Dy2 N6 O11 -","- C48 H66.2 Dy2 N6 O11.1 -","- C96 H132.4 Dy4 N12 O22.2 -","2","0.5","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0709","0.0569","","","0.1353","0.1465","","","","","","1.033","","","","has coordinates,has disorder","276643","2022-07-06","08:21:02",""
"7061569","12.3307","0.0004","15.7913","0.0005","12.3988","0.0004","90","","99.045","0.002","90","","2384.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Dy2 F12 N4 O10 -","- C44 H46 Dy2 F12 N4 O10 -","- C88 H92 Dy4 F24 N8 O20 -","2","0.5","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0367","0.0261","","","0.0605","0.066","","","","","","1.027","","","","has coordinates","276643","2022-07-06","08:21:12",""
"7061570","10.9193","0.0005","10.7257","0.0006","22.1996","0.0011","90","","99.344","0.004","90","","2565.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Gd2 N6 O11 -","- C48 H66.2 Gd2 N6 O11.1 -","- C96 H132.4 Gd4 N12 O22.2 -","2","0.5","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0756","0.0462","","","0.0965","0.1078","","","","","","1.027","","","","has coordinates","276643","2022-07-06","08:21:12",""
"7061571","12.3866","0.0005","15.8527","0.0007","12.3961","0.0005","90","","98.654","0.002","90","","2406.4","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 F12 Gd2 N4 O10 -","- C44 H46 F12 Gd2 N4 O10 -","- C88 H92 F24 Gd4 N8 O20 -","2","0.5","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0637","0.0353","","","0.067","0.0765","","","","","","1.016","","","","has coordinates","276643","2022-07-06","08:21:12",""
"7061572","17.5215","0.0005","15.8691","0.0004","19.1889","0.0005","90","","91.384","0.002","90","","5333.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 F24 Gd2 N4 O10 -","- C44 H34 F24 Gd2 N4 O10 -","- C176 H136 F96 Gd8 N16 O40 -","4","1","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0529","0.0323","","","0.056","0.0627","","","","","","1.027","","","","has coordinates,has disorder","276643","2022-07-06","08:21:12",""
"7061573","17.4671","0.0007","15.8149","0.0006","19.2355","0.0008","90","","91.169","0.002","90","","5312.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Dy2 F24 N4 O10 -","- C44 H34 Dy2 F24 N4 O10 -","- C176 H136 Dy8 F96 N16 O40 -","4","1","","Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan","Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour","New Journal of Chemistry","2022","46","24","11722","11733","10.1039/D2NJ01017H","","","0.71073","MoKα","","0.0497","0.0318","","","0.0611","0.068","","","","","","1.009","","","","has coordinates,has disorder","276643","2022-07-06","08:21:12",""
"7061574","7.777","0.003","8","0.003","13.79","0.005","90","","92.803","0.004","90","","856.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ba H I3 O9 -","- Ba H I3 O9 -","- Ba4 H4 I12 O36 -","4","1","","Ma, Wenjuan; Huang, Jianlong; Dai, Bin; Yu, Feng","BaI3O9H: a new alkaline-earth metal hydroxy iodate with two groups","New Journal of Chemistry","2022","46","26","12482","12487","10.1039/D2NJ02226E","","","0.71073","MoKα","","0.0332","0.0274","","","0.053","0.0551","","","","","","1.011","","","","has coordinates","277130","2022-08-06","11:57:29",""
"7061575","36.301","0.004","36.301","0.004","29.712","0.003","90","","90","","120","","33908","6","193","","193","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C338 H427 F66 N91 O78 Si11 Zn12 -","- C324 H278 F66 N84 O14 Si11 Zn12 -","- C972 H833.999 F198 N252 O42 Si33 Zn36 -","3","0.166667","","Chen, Zi-Peng; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Lin, Kai; Zhao, Yue; Zhao, Jing","Cationic metal–organic frameworks constructed from a trigonal imidazole-containing ligand for the removal of Cr2O72− in water","New Journal of Chemistry","2022","46","27","12994","13000","10.1039/D2NJ01567F","","x-ray","0.71073","MoKα","","0.1012","0.0607","","","0.1638","0.1891","","","","","","1.03","","","","has coordinates,has disorder","277129","2022-08-06","11:57:18",""
"7061576","15.2129","0.0007","27.1725","0.0012","34.125","0.0015","90","","90","","90","","14106.3","1.1","193","","193","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C247 H234 Ag13 N76 O53 -","- C243 H188 Ag13 N74 O33 -","- C486 H376 Ag26 N148 O66 -","2","0.25","","Chen, Zi-Peng; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Lin, Kai; Zhao, Yue; Zhao, Jing","Cationic metal–organic frameworks constructed from a trigonal imidazole-containing ligand for the removal of Cr2O72− in water","New Journal of Chemistry","2022","46","27","12994","13000","10.1039/D2NJ01567F","","x-ray","1.34139","GaKα","","0.0907","0.0702","","","0.2279","0.249","","","","","","1.031","","","","has coordinates,has disorder","277129","2022-08-06","11:57:18",""
"7061577","5.85996","0.00015","9.5789","0.0003","20.0889","0.0005","90","","90","","90","","1127.63","0.05","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 Br3 N O4 Te -","- C3 H10 Br3 N O4 Te -","- C12 H40 Br12 N4 O16 Te4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","x-ray","0.71073","MoKα","","0.0245","0.0222","","","0.0429","0.0433","","","","","","1.004","","","","has coordinates","275847","2022-06-07","00:27:43",""
"7061578","13.6819","0.0002","9.2677","0.0001","24.7845","0.0004","90","","100.183","0.001","90","","3093.17","0.08","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18.9 H32 Cl6 N2 O7.1 Te2 -","- C18.9 H32 Cl6 N2 O7.1 Te2 -","- C75.6 H128 Cl24 N8 O28.4 Te8 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","1.54178","CuKα","","0.0636","0.0635","","","0.1668","0.1669","","","","","","1.081","","","","has coordinates,has disorder","275847","2022-06-07","00:27:46",""
"7061579","7.41562","0.00005","8.1927","0.00005","21.7849","0.00014","90","","93.5017","0.0006","90","","1321.05","0.015","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O4 Se -","- C14 H14 O4 Se -","- C56 H56 O16 Se4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","1.54184","CuKα","","0.0264","0.0259","","","0.0679","0.0683","","","","","","1.107","","","","has coordinates","275847","2022-06-07","00:27:46",""
"7061580","7.8964","0.0016","8.401","0.0017","11.588","0.002","92.16","0.03","96.22","0.03","106.84","0.03","729.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O2 Se -","- C16 H18 O2 Se -","- C32 H36 O4 Se2 -","2","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","0.71073","MoKα","","0.0444","0.044","","","0.1197","0.1203","","","","","","1.086","","","","has coordinates","275847","2022-06-07","00:27:46",""
"7061581","32.234","0.006","5.615","0.0011","7.61","0.0015","90","","100.28","0.03","90","","1355.3","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 Cl2 N O3 Te -","- C10 H15 Cl2 N O3 Te -","- C40 H60 Cl8 N4 O12 Te4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","0.71073","MoKα","","0.0282","0.0281","","","0.0664","0.0664","","","","","","1.112","","","","has coordinates","275847","2022-06-07","00:27:46",""
"7061582","13.144","0.003","9.1631","0.0018","13.27","0.003","90","","102.61","0.03","90","","1559.7","0.6","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 O2 Se -","- C18 H22 O2 Se -","- C72 H88 O8 Se4 -","4","0.5","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","","0.71073","MoKα","","0.036","0.0359","","","0.0943","0.0943","","","","","","1.0252","","","","has coordinates","275847","2022-06-07","00:27:47",""
"7061583","8.9483","0.0004","14.4494","0.0005","9.9106","0.0004","90","","106.301","0.004","90","","1229.9","0.09","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","x-ray","0.71073","MoKα","","0.056","0.0353","","","0.0814","0.088","","","","","","1.0063","","","","has coordinates","275847","2022-06-07","00:27:47",""
"7061584","25.473","0.006","11.826","0.003","16.454","0.004","90","","90","","90","","4957","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cl6 N8 O2 Zn4 -","- C45 H44 Cl6 N8 O2 Zn4 -","- C180 H176 Cl24 N32 O8 Zn16 -","4","0.5","","Naskar, Barnali; Das Mukhopadhyay, Chitrangada; Goswami, Sanchita","A new diformyl phenol based chemosensor selectively detects Zn2+ and Co2+ in the nanomolar range in 100% aqueous medium and HCT live cells","New Journal of Chemistry","2022","46","24","11946","11955","10.1039/D2NJ01478E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1536","0.178","","","","","","0.961","","","","has coordinates","276644","2022-07-06","08:21:27",""
"7061585","8.6303","0.0007","10.9269","0.0009","22.2548","0.0018","90","","92.664","0.003","90","","2096.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Ethyl-3?-(4-methylphenylsulfonyl)-propanoate-2?-yl)-3-hydroxy-1-methylindolin-2-one","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Dabaria, Kamlesh Kumar; Bai, Rekha; Jat, Pooja Kumari; Badsara, Satpal Singh","Atom-economical, catalyst-free hydrosulfonation of densely functionalized alkenes: access to oxindole-containing sulfones","New Journal of Chemistry","2022","46","27","12905","12909","10.1039/D2NJ02462D","","","0.71073","MoKα","","0.0829","0.0529","","","0.1613","0.2007","","","","","","1.095","","","","has coordinates","277125","2022-08-06","11:56:31",""
"7061586","5.7804","0.0003","8.8933","0.0007","16.351","0.0011","87.212","0.006","84.983","0.005","89.862","0.006","836.34","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H20 O -","- C23 H20 O -","- C46 H40 O2 -","2","1","","Kochurin, Matvei A.; Ismagilova, Alina R.; Zakusilo, Dmitriy N.; Khoroshilova, Olesya V.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Reactions of linear conjugated dienone structures with arenes under superelectrophilic activation conditions. An experimental and theoretical study of intermediate multicentered electrophilic species","New Journal of Chemistry","2022","46","25","12041","12053","10.1039/D2NJ01828D","","","0.71073","MoKα","","0.0637","0.0533","","","0.1356","0.147","","","","","","1.03","","","","has coordinates","276655","2022-07-06","08:25:17",""
"7061587","9.4843","0.0007","5.6568","0.0006","34.252","0.003","90","","96.212","0.008","90","","1826.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O -","- C25 H24 O -","- C100 H96 O4 -","4","1","","Kochurin, Matvei A.; Ismagilova, Alina R.; Zakusilo, Dmitriy N.; Khoroshilova, Olesya V.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Reactions of linear conjugated dienone structures with arenes under superelectrophilic activation conditions. An experimental and theoretical study of intermediate multicentered electrophilic species","New Journal of Chemistry","2022","46","25","12041","12053","10.1039/D2NJ01828D","","x-ray","1.54184","CuKα","","0.1501","0.1357","","","0.3563","0.3642","","","","","","1.136","","","","has coordinates","276655","2022-07-06","08:25:21",""
"7061588","7.8475","0.0004","16.8287","0.0007","11.1852","0.0005","90","","106.026","0.005","90","","1419.75","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Kochurin, Matvei A.; Ismagilova, Alina R.; Zakusilo, Dmitriy N.; Khoroshilova, Olesya V.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Reactions of linear conjugated dienone structures with arenes under superelectrophilic activation conditions. An experimental and theoretical study of intermediate multicentered electrophilic species","New Journal of Chemistry","2022","46","25","12041","12053","10.1039/D2NJ01828D","","x-ray","1.54184","CuKα","","0.0815","0.0684","","","0.1848","0.2027","","","","","","1.061","","","","has coordinates","276655","2022-07-06","08:25:23",""
"7061589","16.6661","0.0008","9.3649","0.0005","14.0474","0.0008","90","","109.943","0.002","90","","2060.99","0.19","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl2 Cu N4 O -","- C21 H20 Cl2 Cu N4 O -","- C84 H80 Cl8 Cu4 N16 O4 -","4","1","","Chaibuth, Pawittra; Chuaytanee, Nontakarn; Hojitsiriyanont, Jutawat; Chainok, Kittipong; Wacharasindhu, Sumrit; Reiser, Oliver; Sukwattanasinitt, Mongkol","Copper(ii) complexes of quinoline-based ligands for efficient photoredox catalysis of atom transfer radical addition (ATRA) reaction","New Journal of Chemistry","2022","46","25","12158","12168","10.1039/D2NJ01218A","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.0317","","","0.0725","0.0776","","","","","","1.035","","","","has coordinates","276658","2022-07-06","08:26:34",""
"7061590","13.3798","0.0014","24.69","0.003","14.1358","0.0014","90","","108.542","0.002","90","","4427.3","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 Cu2 N8 O2 -","- C48 H40 Cl4 Cu2 N8 O2 -","- C192 H160 Cl16 Cu8 N32 O8 -","4","1","","Chaibuth, Pawittra; Chuaytanee, Nontakarn; Hojitsiriyanont, Jutawat; Chainok, Kittipong; Wacharasindhu, Sumrit; Reiser, Oliver; Sukwattanasinitt, Mongkol","Copper(ii) complexes of quinoline-based ligands for efficient photoredox catalysis of atom transfer radical addition (ATRA) reaction","New Journal of Chemistry","2022","46","25","12158","12168","10.1039/D2NJ01218A","","x-ray","1.54178","CuKα","K-L~3~","0.0257","0.0248","","","0.0659","0.0666","","","","","","1.036","","","","has coordinates","276658","2022-07-06","08:26:44",""
"7061591","13.9396","0.0018","15.824","0.002","16.096","0.002","111.357","0.004","98.835","0.004","115.205","0.004","2783.9","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Cl6 Cu3 N8 -","- C54 H36 Cl6 Cu3 N8 -","- C108 H72 Cl12 Cu6 N16 -","2","1","","Chaibuth, Pawittra; Chuaytanee, Nontakarn; Hojitsiriyanont, Jutawat; Chainok, Kittipong; Wacharasindhu, Sumrit; Reiser, Oliver; Sukwattanasinitt, Mongkol","Copper(ii) complexes of quinoline-based ligands for efficient photoredox catalysis of atom transfer radical addition (ATRA) reaction","New Journal of Chemistry","2022","46","25","12158","12168","10.1039/D2NJ01218A","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.042","","","0.1124","0.1251","","","","","","1.028","","","","has coordinates,has disorder","276658","2022-07-06","08:26:46",""
"7061592","9.3535","0.0008","23.046","0.002","17.3965","0.0015","90","","102.035","0.004","90","","3667.6","0.6","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 I4 N6 O2 Pd2 -","- C28 H32 I4 N6 O2 Pd2 -","- C112 H128 I16 N24 O8 Pd8 -","4","1","","Majumder, Adhir; Naskar, Rajat; Phukan, Shankab J.; Maity, Ramananda","Bimetallic PdII complexes with NHC/Py/PCy3 donor set ligands: applications in α-arylation, Suzuki–Miyaura and Sonogashira coupling reactions","New Journal of Chemistry","2022","46","27","13075","13081","10.1039/D2NJ01852G","","","1.54184","CuKα","","0.0695","0.0637","","","0.1581","0.1629","","","","","","1.091","","","","has coordinates","277126","2022-08-06","11:56:36",""
"7061593","6.4288","0.0004","8.8456","0.0005","14.0419","0.0009","105.769","0.003","99.98","0.003","99.222","0.003","738.5","0.08","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Fe O3 S2 -","- C16 H10 Fe O3 S2 -","- C32 H20 Fe2 O6 S4 -","2","1","","Matczak, Piotr; Kupfer, Stephan; Mlostoń, Grzegorz; Buday, Philipp; Görls, Helmar; Weigand, Wolfgang","Metal–ligand bonding in tricarbonyliron(0) complexes bearing thiochalcone ligands","New Journal of Chemistry","2022","46","27","12924","12933","10.1039/D2NJ01315K","","","0.71073","MoKα","","0.1115","0.0878","","","0.2155","0.2348","","","","","","1.094","","","","has coordinates,has disorder","277127","2022-08-06","11:56:49",""
"7061594","7.1138","0.0005","19.271","0.0009","7.405","0.0005","90","","117.245","0.003","90","","902.53","0.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H14 Fe2 O4 S -","- C20 H14 Fe2 O4 S -","- C40 H28 Fe4 O8 S2 -","2","1","","Matczak, Piotr; Kupfer, Stephan; Mlostoń, Grzegorz; Buday, Philipp; Görls, Helmar; Weigand, Wolfgang","Metal–ligand bonding in tricarbonyliron(0) complexes bearing thiochalcone ligands","New Journal of Chemistry","2022","46","27","12924","12933","10.1039/D2NJ01315K","","","0.71073","MoKα","","0.0242","0.0233","","","0.0499","0.0507","","","","","","1.052","","","","has coordinates,has disorder","277127","2022-08-06","11:56:52",""
"7061595","8.9","0.002","8.958","0.002","10.397","0.002","92.153","0.013","96.035","0.013","94.714","0.012","820.6","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","Ibu-Pro-Val-OMe","","","- C30 H52 N4 O8 -","- C30 H52 N4 O8 -","- C30 H52 N4 O8 -","1","1","","Gupta, Sunil K.; Banerjee, Shreya; Prabhakaran, Erode N.","van der Waals interactions to control amide cis–trans isomerism","New Journal of Chemistry","2022","46","26","12470","12473","10.1039/D2NJ01457B","","","0.71073","MoKα","","0.0493","0.0431","","","0.116","0.1218","","","","","","0.845","","","","has coordinates","276632","2022-07-06","08:16:22",""
"7061596","5.257","0.0008","13.741","0.002","13.614","0.002","90","","94.765","0.004","90","","980","0.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C40 H40 N4 O8 S2 -","2","1","","Sahu, Archana Kumari; Biswas, Subhamoy; Bora, Surjya Kumar; Saikia, Anil K.","Synthesis of 3C-alkylated active methylene substituted 2H-indazole derivatives via sequential ring opening of donor–acceptor cyclopropanes and reductive cyclization reaction","New Journal of Chemistry","2022","46","26","12456","12460","10.1039/D2NJ01801B","","","0.71073","MoKα","","0.1055","0.0892","","","0.1953","0.2045","","","","","","1.318","","","","has coordinates","276633","2022-07-06","08:18:13",""
"7061597","12.9621","0.0004","8.5724","0.0003","14.8322","0.0006","90","","91.399","0.003","90","","1647.61","0.1","150.02","0.18","150.02","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O S -","- C22 H14 N2 O S -","- C88 H56 N8 O4 S4 -","4","1","","Nayek, Nayana; Karmakar, Pintu; Mandal, Mullicka; Karmakar, Indrajit; Brahmachari, Goutam","Photochemical and electrochemical regioselective cross-dehydrogenative C(sp2)–H sulfenylation and selenylation of substituted benzo[a]phenazin-5-ols","New Journal of Chemistry","2022","46","28","13483","13497","10.1039/D2NJ02224A","","x-ray","0.71073","MoKα","","0.0858","0.0673","","","0.1783","0.2057","","","","","","1.049","","","","has coordinates","277119","2022-08-06","11:55:26",""
"7061598","9.1695","0.0005","27.5498","0.0016","22.7428","0.0012","90","","95.554","0.002","90","","5718.3","0.5","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C48 H44 Cl3 Dy N4 O10 Zn2 -","- C48 H44 Cl3 Dy N4 O10 Zn2 -","- C192 H176 Cl12 Dy4 N16 O40 Zn8 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","Three angular Zn2Dy complexes showing the effect of remote coordination at Zn and counter ions on slow magnetic relaxation at Dy centres","New Journal of Chemistry","2022","46","28","13546","13557","10.1039/D2NJ01759H","","","0.71073","MoKα","","0.0997","0.0747","","","0.1975","0.2221","","","","","","1.103","","","","has coordinates","277122","2022-08-06","11:56:04",""
"7061599","17.1795","0.0016","15.9207","0.0013","19.9771","0.0019","90","","91.333","0.004","90","","5462.5","0.9","150","2","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Dy I2 N4 O10 Zn2 -","- C48 H48 Dy I2 N4 O10 Zn2 -","- C192 H192 Dy4 I8 N16 O40 Zn8 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","Three angular Zn2Dy complexes showing the effect of remote coordination at Zn and counter ions on slow magnetic relaxation at Dy centres","New Journal of Chemistry","2022","46","28","13546","13557","10.1039/D2NJ01759H","","","0.71073","MoKα","","0.0277","0.0245","","","0.0636","0.0658","","","","","","1.029","","","","has coordinates","277122","2022-08-06","11:56:04",""
"7061600","17.066","0.011","15.496","0.009","19.813","0.014","90","","90.85","0.02","90","","5239","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Br2 Dy N5 O19 Zn2 -","- C48 H56 Br2 Dy N5 O18.8 Zn2 -","- C192 H224 Br8 Dy4 N20 O75.2 Zn8 -","4","0.5","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","Three angular Zn2Dy complexes showing the effect of remote coordination at Zn and counter ions on slow magnetic relaxation at Dy centres","New Journal of Chemistry","2022","46","28","13546","13557","10.1039/D2NJ01759H","","","0.71073","MoKα","","0.0208","0.0182","","","0.0471","0.0489","","","","","","1.074","","","","has coordinates,has disorder","277122","2022-08-06","11:56:04",""
"7061601","20.7752","0.0013","15.3676","0.0009","19.9513","0.0009","90","","99.0464","0.0015","90","","6290.5","0.6","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 F26 N13 O2 P4 Ru2 -","- C46 H49 F26 N13 O2 P4 Ru2 -","- C184 H196 F104 N52 O8 P16 Ru8 -","4","1","","Mikhailov, Artem A.; Kostin, Gennadiy A.; Schaniel, Dominik","The influence of the trans-ligand to NO on the thermal stability of the photoinduced side-bond coordinated linkage isomer","New Journal of Chemistry","2022","46","26","12641","12650","10.1039/D2NJ01388F","","","0.71073","MoKα","","0.0928","0.0579","","","0.1342","0.1576","","","","","","1.016","","","","has coordinates","276670","2022-07-06","08:32:02",""
"7061602","13.9264","0.0005","16.948","0.0007","19.8185","0.0008","66.776","0.001","79.868","0.002","84.674","0.001","4230.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20.67 F13 N5 O1.33 P2 Ru -","- C20 H20.6667 F13 N5 O1.33333 P2 Ru -","- C120 H124 F78 N30 O8 P12 Ru6 -","6","3","","Mikhailov, Artem A.; Kostin, Gennadiy A.; Schaniel, Dominik","The influence of the trans-ligand to NO on the thermal stability of the photoinduced side-bond coordinated linkage isomer","New Journal of Chemistry","2022","46","26","12641","12650","10.1039/D2NJ01388F","","","0.71073","MoKα","","0.0992","0.0813","","","0.1596","0.1661","","","","","","1.2","","","","has coordinates,has disorder","276670","2022-07-06","08:32:02",""
"7061603","7.41","0.0015","7.6","0.0015","19.46","0.004","90","","91.52","0.03","90","","1095.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 N2 O2 -","- C15 H8 N2 O2 -","- C60 H32 N8 O8 -","4","1","","Hong, Jiankai; Zhang, Min; Shi, Liang; Liu, Peng; Guo, Yuchao; Zhao, Ting; Li, Qing X.; Yang, Liuqing","Copper(i)-catalyzed synthesis of natural alkaloid tryptanthrin and its derivatives","New Journal of Chemistry","2022","46","28","13540","13545","10.1039/D2NJ01307J","","","0.71073","MoKα","","0.1316","0.0829","","","0.1748","0.2018","","","","","","1.207","","","","has coordinates","277118","2022-08-06","11:55:20",""
"7061604","37.4048","0.0008","4.4617","0.0001","15.4153","0.0004","90","","96.692","0.002","90","","2555.12","0.1","169.99","0.13","169.99","0.13","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H26 N3 O2 -","- C26 H26 N3 O2 -","- C104 H104 N12 O8 -","4","1","","Fu, Peng; Yan, Qing; Wang, Sheng; Wu, Hanlun; Cao, Derong","A visible-light-gated donor–acceptor Stenhouse adduct chemosensor: synthesis, photochromism and naked-eye colorimetric/fluorometric sensing of Al3+ and Zn2+","New Journal of Chemistry","2022","46","26","12600","12608","10.1039/D2NJ00969B","","x-ray","1.54184","CuKα","","0.0817","0.0769","","","0.2305","0.236","","","","","","1.075","","","","has coordinates","276669","2022-07-06","08:31:16",""
"7061605","12.8617","0.0005","6.1503","0.0002","13.2247","0.0006","90","","99.683","0.004","90","","1031.21","0.07","169.99","0.12","169.99","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Fu, Peng; Yan, Qing; Wang, Sheng; Wu, Hanlun; Cao, Derong","A visible-light-gated donor–acceptor Stenhouse adduct chemosensor: synthesis, photochromism and naked-eye colorimetric/fluorometric sensing of Al3+ and Zn2+","New Journal of Chemistry","2022","46","26","12600","12608","10.1039/D2NJ00969B","","x-ray","1.54184","CuKα","","0.054","0.0439","","","0.1144","0.1214","","","","","","1.072","","","","has coordinates","276669","2022-07-06","08:31:26",""
"7061606","6.3645","0.0007","7.7209","0.0006","11.7329","0.0011","94.916","0.007","97.452","0.008","113.275","0.009","519.19","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C20 H18 N6 O6 -","2","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.0533","0.043","","","0.1083","0.1236","","","","","","1.084","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061607","7.555","0.0002","18.3095","0.0005","7.8064","0.0003","90","","105.678","0.003","90","","1039.67","0.06","246","15","246","15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.0521","0.0454","","","0.1244","0.1335","","","","","","1.046","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061608","18.1583","0.0004","10.1532","0.0002","26.4824","0.0005","90","","104.542","0.002","90","","4726.01","0.17","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O6 -","- C12 H12 O6 -","- C192 H192 O96 -","16","2","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.0541","0.0474","","","0.1324","0.1377","","","","","","1.042","","","","has coordinates,has disorder","277124","2022-08-06","11:56:25",""
"7061609","3.8849","0.0007","30.166","0.004","7.806","0.004","90","","100.79","0.03","90","","898.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O5 -","- C8 H10 O5 -","- C32 H40 O20 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.1563","0.0959","","","0.2331","0.2928","","","","","","0.995","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061610","10.0606","0.0002","11.7335","0.0002","15.8113","0.0003","90","","90","","90","","1866.46","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.0432","0.0398","","","0.1116","0.1161","","","","","","1.043","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061611","7.8627","0.0004","10.6927","0.0005","24.4593","0.0012","90","","90","","90","","2056.38","0.17","204","2","204","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N5 O4 -","- C20 H27 N5 O4 -","- C80 H108 N20 O16 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.052","0.049","","","0.1367","0.1415","","","","","","1.051","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061612","16.216","0.003","16.216","0.003","5.1307","0.0005","90","","90","","120","","1168.4","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C42 H66 N6 O9 -","3","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.1659","0.1419","","","0.3939","0.4401","","","","","","1.393","","","","has coordinates,has disorder","277124","2022-08-06","11:56:25",""
"7061613","9.323","0.002","26.924","0.006","6.725","0.004","90","","108.46","0.04","90","","1601.2","1.1","113.9","0.14","113.9","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 Mg0.5 N10 O10 -","- C6 H17 Mg0.5 N10 O10 -","- C24 H68 Mg2 N40 O40 -","4","1","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","x-ray","0.71073","MoKα","","0.1533","0.0973","","","0.2214","0.2571","","","","","","1.062","","","","has coordinates","277114","2022-08-06","11:54:45",""
"7061614","12.8331","0.0013","6.4142","0.0007","12.1223","0.0014","90","","90","","90","","997.84","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H7 N7 O3 -","- C7 H7 N7 O3 -","- C28 H28 N28 O12 -","4","0.5","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","","0.71073","MoKα","","0.0722","0.0528","","","0.1412","0.156","","","","","","1.081","","","","has coordinates,has disorder","277114","2022-08-06","11:54:45",""
"7061615","9.1828","0.0009","6.5037","0.0008","11.7685","0.0013","90","","95.504","0.003","90","","699.6","0.13","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H22 N18 O10 -","- C16 H22 N18 O10 -","- C16 H22 N18 O10 -","1","0.25","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","","0.71073","MoKα","","0.1166","0.06","","","0.1185","0.1349","","","","","","1.065","","","","has coordinates","277114","2022-08-06","11:54:45",""
"7061616","6.9809","0.0007","6.8761","0.0007","28.243","0.003","90","","92.736","0.002","90","","1354.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N11 O3 -","- C9 H11 N11 O3 -","- C36 H44 N44 O12 -","4","1","","Hu, Yong; Lu, Zu-Jia; Dong, Wen-Shuai; Zhang, Jian-Guo; Sinditskii, Valery P.","Detonation performance enhancement through a positional isomerism modification strategy","New Journal of Chemistry","2022","46","29","13874","13879","10.1039/D2NJ02515A","","","0.71073","MoKα","","0.1203","0.0861","","","0.2121","0.2279","","","","","","1.098","","","","has coordinates","277114","2022-08-06","11:54:45",""
"7061617","13.973","0.002","7.1655","0.0009","14.941","0.002","90","","96.041","0.005","90","","1487.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O S2 -","- C17 H13 N O S2 -","- C68 H52 N4 O4 S8 -","4","1","","Yadav, Mamta; Sarma, Bibek; Jat, Ram Singh; Bhanuchandra, M.","Palladium-catalyzed direct C–H thiolation of 2-pyridyl sulfoxide with disulfides","New Journal of Chemistry","2022","46","28","13401","13405","10.1039/D2NJ01977A","","","0.71073","MoKα","","0.0435","0.0366","","","0.0922","0.1006","","","","","","1.08","","","","has coordinates","277121","2022-08-06","11:55:53",""
"7061618","8.2335","0.0003","18.3922","0.0008","14.6378","0.0006","90","","104.229","0.001","90","","2148.63","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Prasad, Rangu; Kanikarapu, Suresh; Dutta, Shubham; Vangara, Srinivas; Sahoo, Akhila K.","Metal-free stereoselective addition of propiolic acids to ynamides: a concise synthetic route to highly substituted enediyne/dienyne-(E)-N,O-acetals","New Journal of Chemistry","2022","46","29","13981","13986","10.1039/D2NJ01907H","","","0.71073","MoKα","","0.0744","0.0476","","","0.1226","0.1404","","","","","","1.0557","","","","has coordinates","277115","2022-08-06","11:54:57",""
"7061619","8.793","0.003","15.899","0.005","17.594","0.006","90","","90","","90","","2459.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C108 H92 N4 O16 S4 -","4","1","","Prasad, Rangu; Kanikarapu, Suresh; Dutta, Shubham; Vangara, Srinivas; Sahoo, Akhila K.","Metal-free stereoselective addition of propiolic acids to ynamides: a concise synthetic route to highly substituted enediyne/dienyne-(E)-N,O-acetals","New Journal of Chemistry","2022","46","29","13981","13986","10.1039/D2NJ01907H","","","0.71073","MoKα","","0.1062","0.0462","","","0.1094","0.1349","","","","","","1.007","","","","has coordinates","277115","2022-08-06","11:55:00",""
"7061620","9.8638","0.0004","10.1729","0.0003","13.2234","0.0005","98.27","0.003","94.546","0.003","114.109","0.003","1184.47","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O4 S -","- C28 H24 Cl N O4 S -","- C56 H48 Cl2 N2 O8 S2 -","2","1","","Merrett, James Theodore; Chen, Xiaoyu; Kyne, Sara Helen; Harode, Mandeep; Chan, Philip Wai Hong","Rhodium(i)-catalysed cycloisomerisation/6π electrocyclisation of 5-(ethynylamino)pent-2-yn-1-yl esters to 2,3-dihydrobenzo[f]indoles","New Journal of Chemistry","2022","46","28","13519","13523","10.1039/D2NJ01992B","","","0.71073","MoKα","","0.0464","0.0391","","","0.1049","0.1103","","","","","","1.048","","","","has coordinates","277123","2022-08-06","11:56:09",""
"7061621","15.1567","0.0004","10.5298","0.0003","8.732","0.0002","90","","90","","90","","1393.6","0.06","294.15","","294.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","cis-bis(N,N'-dimethylimidazole)dichloroplatinum(II)","","- C10 H16 Cl2 N4 Pt -","- C10 H16 Cl2 N4 Pt -","- C40 H64 Cl8 N16 Pt4 -","4","1","","Rivera, Carolina; Bacilio-Beltrán, Héctor Alejandro; Puebla-Pérez, Ana Maria; Rangel-Salas, Irma Idalia; Alvarado–Rodríguez, José G; Flores-Moreno, Roberto; Velázquez- Juárez, Gilberto; Peregrina-Lucano, Alejandro Aarón; Becerra-Martinez, Elvia; Valdez-Ruvalcaba, Jaime; Rubio-Garcia, J. Emiliano; Cortes-Llamas, Sara Angelica","Cis and trans platinum(II) N-heterocyclic carbene isomers: synthesis, characterization and biological activity","New Journal of Chemistry","2022","","","","","10.1039/D2NJ02508F","","x-ray","0.71073","MoKα","","0.0167","0.0149","","","0.035","0.0362","","","","","","1.068","","","","has coordinates","276304","2022-06-28","00:21:48",""
"7061622","6.584","0.0002","8.8961","0.0003","12.5131","0.0004","90","","102.895","0.003","90","","714.43","0.04","295.15","","295.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-bis(N,N'-dimethylimidazole)dichloroplatinum(II)","","- C10 H16 Cl2 N4 Pt -","- C10 H16 Cl2 N4 Pt -","- C20 H32 Cl4 N8 Pt2 -","2","0.5","","Rivera, Carolina; Bacilio-Beltrán, Héctor Alejandro; Puebla-Pérez, Ana Maria; Rangel-Salas, Irma Idalia; Alvarado–Rodríguez, José G; Flores-Moreno, Roberto; Velázquez- Juárez, Gilberto; Peregrina-Lucano, Alejandro Aarón; Becerra-Martinez, Elvia; Valdez-Ruvalcaba, Jaime; Rubio-Garcia, J. Emiliano; Cortes-Llamas, Sara Angelica","Cis and trans platinum(II) N-heterocyclic carbene isomers: synthesis, characterization and biological activity","New Journal of Chemistry","2022","","","","","10.1039/D2NJ02508F","","x-ray","0.71073","MoKα","","0.0162","0.0137","","","0.0354","0.0376","","","","","","1.107","","","","has coordinates","276304","2022-06-28","00:21:49",""
"7061623","10.2738","0.0009","11.6678","0.0009","12.4456","0.0009","99.949","0.006","109.2","0.007","108.757","0.007","1267.7","0.2","199.99","0.1","199.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br Cl3 N O4 S -","- C23 H18 Br N O4 S -","- C46 H36 Br2 N2 O8 S2 -","2","1","","Zhang, Lei; Quan, Wei; Liu, Ren-Ming; Tian, You-Ping; Pan, Bo-Wen; Liu, Xiong-Li","Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions","New Journal of Chemistry","2022","46","25","11975","11979","10.1039/D2NJ01571D","","","0.71073","MoKα","","0.0589","0.0451","","","0.1218","0.1288","","","","","","1.054","","","","has coordinates","276305","2022-06-28","00:22:29",""
"7061624","8.1259","0.0002","8.1259","0.0002","67.712","0.002","90","","90","","90","","4471","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","1","","Zhang, Lei; Quan, Wei; Liu, Ren-Ming; Tian, You-Ping; Pan, Bo-Wen; Liu, Xiong-Li","Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions","New Journal of Chemistry","2022","46","25","11975","11979","10.1039/D2NJ01571D","","","1.54184","CuKα","","0.0638","0.0614","","","0.1119","0.1129","","","","","","1.241","","","","has coordinates","276305","2022-06-28","00:22:29",""
"7061625","10.4015","0.0006","12.1513","0.0006","31.7163","0.0016","90","","90","","90","","4008.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H46 Cl F6 P3 Ru -","- C43 H46 Cl F6 P3 Ru -","- C172 H184 Cl4 F24 P12 Ru4 -","4","1","","Jena, Rajesh K.; Samanta, Mahesh; Sau, Mohan C.; Panda, Sonali; Patra, Braja N.; Bhattacharjee, Manish","Ruthenium(ii)-catalysed direct synthesis of mono-allylation products of 1,3-diketones from cinnamyl alcohols","New Journal of Chemistry","2022","46","28","13558","13564","10.1039/D2NJ01650H","","","0.71073","MoKα","","0.0354","0.0313","","","0.0677","0.0699","","","","","","1.024","","","","has coordinates","277117","2022-08-06","11:55:15",""
"7061626","6.7331","0.0003","8.6522","0.0003","8.8761","0.0003","77.838","0.003","88.7","0.003","81.931","0.003","500.46","0.03","293","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C7 H15 Cl N2 O4 -","- C7 H15 Cl N2 O4 -","- C14 H30 Cl2 N4 O8 -","2","2","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0716","0.0628","","","0.166","0.1762","","","","","","1.274","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7061627","6.3959","0.001","6.3959","0.001","6.3959","0.001","90","","90","","90","","261.64","0.07","438","2","438","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C32 Cl0.29 O24 -","- C32 Cl0.29 O24 -","- C32 Cl0.29 O24 -","1","0.0208333","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.4057","0.2769","","","0.5924","0.6276","","","","","","2.523","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7061628","6.8907","0.0005","6.8907","0.0005","5.8523","0.001","90","","90","","90","","277.88","0.06","296","2","413","2","","","","","","","","3","P -4 2 m","P -4 2","111","","","","- C14 O4 Re -","- C14 O4 Re -","- C14 O4 Re -","1","0.125","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0591","0.0417","","","0.1025","0.1081","","","","","","1.325","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7061629","13.725","0.002","13.75","0.002","10.9708","0.0017","90","","90","","90","","2070.4","0.5","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C14 H30 N4 O8 Re2 -","- C14 H30 N4 O8 Re2 -","- C56 H120 N16 O32 Re8 -","4","0.5","","You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong","Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties","New Journal of Chemistry","2022","46","30","14404","14409","10.1039/D2NJ02531K","","","0.71073","MoKα","","0.0378","0.0298","","","0.0666","0.0715","","","","","","1.139","","","","has coordinates","277133","2022-08-06","11:58:13",""
"7061630","9.4119","0.0003","16.8978","0.0005","10.9784","0.0004","90","","104.416","0.001","90","","1691.03","0.1","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Anjali, Anshika; Lenka, Sambit Kumar; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai S. P.; Nagarajan, Samuthira","Functionalized D/A–A–D quinolines for application in solution-processable p-channel organic field-effect transistors","New Journal of Chemistry","2022","46","28","13608","13614","10.1039/D2NJ00686C","","","1.54178","CuKα","","0.0577","0.0557","","","0.1414","0.1434","","","","","","1.06","","","","has coordinates","277120","2022-08-06","11:55:41",""
"7061631","9.7824","0.0004","18.5157","0.0007","11.0961","0.0003","90","","113.429","0.002","90","","1844.11","0.12","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F N O3 -","- C24 H18 F N O3 -","- C96 H72 F4 N4 O12 -","4","1","","Anjali, Anshika; Lenka, Sambit Kumar; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai S. P.; Nagarajan, Samuthira","Functionalized D/A–A–D quinolines for application in solution-processable p-channel organic field-effect transistors","New Journal of Chemistry","2022","46","28","13608","13614","10.1039/D2NJ00686C","","","1.54178","CuKα","","0.0541","0.0458","","","0.1162","0.1208","","","","","","1.056","","","","has coordinates","277120","2022-08-06","11:55:43",""
"7061632","13.8744","0.0005","17.3267","0.0006","27.3337","0.001","90","","90","","90","","6571","0.4","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C360 H276 N12 O36 -","12","3","","Anjali, Anshika; Lenka, Sambit Kumar; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai S. P.; Nagarajan, Samuthira","Functionalized D/A–A–D quinolines for application in solution-processable p-channel organic field-effect transistors","New Journal of Chemistry","2022","46","28","13608","13614","10.1039/D2NJ00686C","","","1.54178","CuKα","","0.0304","0.0289","","","0.0756","0.0766","","","","","","1.06","","","","has coordinates","277120","2022-08-06","11:55:43",""
"7061633","17.5906","0.0008","12.7342","0.0007","21.5096","0.001","90","","90","","90","","4818.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O5 S -","- C28 H26 O5 S -","- C224 H208 O40 S8 -","8","1","","Gu, Yingge; Yang, Yajie; Wang, Ye; Wang, Zongkang; Zhu, Yilin; Li, Yanzhong","Transition-metal-free insertion of alkynes into the C–C σ-bond of cyclic β-keto sulfones: an atom-economical way to medium-size-ring sulfonyl derivatives","New Journal of Chemistry","2022","46","30","14309","14313","10.1039/D2NJ01197B","","","0.71073","MoKα","","0.0899","0.053","","","0.1153","0.1301","","","","","","1.018","","","","has coordinates","277134","2022-08-06","11:58:19",""
"7061634","8.2628","0.0006","9.933","0.0005","10.3705","0.0006","93.322","0.005","107.069","0.006","103.852","0.005","782.42","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 F2 N2 O2 S4 -","- C12 H12 F2 N2 O2 S4 -","- C24 H24 F4 N4 O4 S8 -","2","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0475","0.0352","","","0.0844","0.0891","","","","","","1.035","","","","has coordinates","277113","2022-08-06","11:54:37",""
"7061635","17.3479","0.0006","10.1004","0.0003","19.6252","0.0006","90","","98.01","0.001","90","","3405.19","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 F2 N2 Na2 O8 S4 -","- C24 H40 F2 N2 Na2 O8 S4 -","- C96 H160 F8 N8 Na8 O32 S16 -","4","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0483","0.0329","","","0.0684","0.0745","","","","","","1.013","","","","has coordinates","277113","2022-08-06","11:54:37",""
"7061636","8.7022","0.0004","8.8311","0.0004","12.7825","0.0006","79.4431","0.0015","84.418","0.0015","77.5543","0.0015","941.3","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 N2 Na2 O8 S4 -","- C28 H44 N2 Na2 O8 S4 -","- C28 H44 N2 Na2 O8 S4 -","1","0.5","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0608","0.0419","","","0.0957","0.1069","","","","","","1.03","","","","has coordinates,has disorder","277113","2022-08-06","11:54:37",""
"7061637","7.6815","0.0003","13.6933","0.0005","10.3983","0.0004","90","","101.964","0.0011","90","","1069.99","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 Na2 O4 S4 -","- C16 H22 N2 Na2 O4 S4 -","- C32 H44 N4 Na4 O8 S8 -","2","0.5","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0354","0.0271","","","0.0609","0.064","","","","","","1.071","","","","has coordinates","277113","2022-08-06","11:54:37",""
"7061638","17.2189","0.0007","9.9368","0.0004","20.0201","0.0008","90","","99.565","0.001","90","","3377.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N2 Na2 O8 S4 -","- C24 H42 N2 Na2 O8 S4 -","- C96 H168 N8 Na8 O32 S16 -","4","1","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0505","0.0337","","","0.0694","0.0749","","","","","","1.025","","","","has coordinates","277113","2022-08-06","11:54:37",""
"7061639","15.2774","0.0006","11.0794","0.0004","16.7363","0.0007","90","","90","","90","","2832.86","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 Na2 O4 S4 -","- C24 H34 N2 Na2 O4 S4 -","- C96 H136 N8 Na8 O16 S16 -","4","0.5","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0437","0.0308","","","0.0724","0.0777","","","","","","1.027","","","","has coordinates,has disorder","277113","2022-08-06","11:54:37",""
"7061640","10.5887","0.0008","8.8945","0.0005","13.6358","0.0009","90","","107.807","0.008","90","","1222.71","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Metformin maleate","","- C8 H15 N5 O4 -","- C8 H15 N5 O4 -","- C32 H60 N20 O16 -","4","1","","Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian","Solid-state landscape and biopharmaceutical implications of novel metformin-based salts","New Journal of Chemistry","2022","46","28","13725","13737","10.1039/D2NJ00453D","","x-ray","0.71073","MoKα","","0.0769","0.0469","","","0.1051","0.1243","","","","","","1.028","","","","has coordinates","277116","2022-08-06","11:55:09",""
"7061641","12.5378","0.0005","5.006","0.0002","17.6122","0.0007","90","","91.971","0.004","90","","1104.76","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Metformin malonate","","- C7 H15 N5 O4 -","- C7 H15 N5 O4 -","- C28 H60 N20 O16 -","4","1","","Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian","Solid-state landscape and biopharmaceutical implications of novel metformin-based salts","New Journal of Chemistry","2022","46","28","13725","13737","10.1039/D2NJ00453D","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.1042","0.1139","","","","","","1.03","","","","has coordinates","277116","2022-08-06","11:55:09",""
"7061642","7.7925","0.0004","15.5421","0.0006","11.8517","0.0006","90","","92.794","0.005","90","","1433.67","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Metformin saccharinate","","- C11 H16 N6 O3 S -","- C11 H16 N6 O3 S -","- C44 H64 N24 O12 S4 -","4","1","","Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian","Solid-state landscape and biopharmaceutical implications of novel metformin-based salts","New Journal of Chemistry","2022","46","28","13725","13737","10.1039/D2NJ00453D","","x-ray","0.71073","MoKα","","0.0536","0.0413","","","0.1033","0.1117","","","","","","1.075","","","","has coordinates","277116","2022-08-06","11:55:09",""
"7061643","10.0926","0.0007","15.8607","0.001","7.8392","0.0005","90","","99.955","0.002","90","","1235.97","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N8 S2 Se2 -","- C20 H18 Fe N8 S2 Se2 -","- C40 H36 Fe2 N16 S4 Se4 -","2","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.0713","0.044","","","0.1011","0.1156","","","","","","1.027","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061644","9.8211","0.0007","15.7029","0.0011","7.7911","0.0006","90","","99.618","0.002","90","","1184.65","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Fe N8 S4 -","- C20 H18 Fe N8 S4 -","- C40 H36 Fe2 N16 S8 -","2","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.0275","0.0244","","","0.063","0.0646","","","","","","1.091","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061645","8.263","0.0004","8.4919","0.0004","13.1039","0.0007","104.846","0.002","103.82","0.002","99.454","0.002","837.79","0.07","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 B2 Fe N10 S2 -","- C30 H30 B2 Fe N10 S2 -","- C30 H30 B2 Fe N10 S2 -","1","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.053","0.0445","","","0.1053","0.1096","","","","","","1.112","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061646","8.1749","0.001","8.4576","0.001","12.8781","0.0016","104.556","0.004","101.501","0.004","100.261","0.004","819.69","0.18","171","2","171","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Fe N10 S2 Se2 -","- C30 H24 Fe N10 S2 Se2 -","- C30 H24 Fe N10 S2 Se2 -","1","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.0328","0.0265","","","0.0616","0.0652","","","","","","0.998","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061647","8.2367","0.0007","8.4429","0.0009","12.9792","0.0013","104.946","0.004","103.136","0.003","99.831","0.003","823.62","0.14","166","2","166","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 B2 Fe N10 S2 -","- C30 H30 B2 Fe N10 S2 -","- C30 H30 B2 Fe N10 S2 -","1","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.0369","0.0281","","","0.0606","0.0637","","","","","","1.09","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061648","8.22","0.0008","8.4119","0.0008","13.0015","0.0013","106.039","0.003","102.841","0.004","99.914","0.003","815.81","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Fe N10 S4 -","- C30 H24 Fe N10 S4 -","- C30 H24 Fe N10 S4 -","1","0.5","","Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan","High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties","New Journal of Chemistry","2022","46","31","14910","14921","10.1039/D2NJ01989B","","","0.71073","MoKα","","0.0305","0.0269","","","0.0695","0.072","","","","","","1.052","","","","has coordinates","277675","2022-09-06","10:13:27",""
"7061649","6.0021","0.0003","7.507","0.0004","30.8256","0.0013","84.861","0.004","89.533","0.003","89.472","0.004","1383.25","0.12","150","0.1","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O2 -","- C39 H27 N O2 -","- C78 H54 N2 O4 -","2","1","","Feng, Xiucun; Zhou, Ningning; Zhou, Hongke; Song, Fuhua; Fu, Shengjie; Zhang, Weidong; Liu, Xingliang; Xu, Defang","Achieving tricolor luminescence switching from a stimuli-responsive luminophore based on a bisarylic methanone derivative","New Journal of Chemistry","2022","46","32","15657","15665","10.1039/D2NJ02532A","","","1.54178","CuKα","","0.0572","0.0488","","","0.1312","0.1374","","","","","","1.11","","","","has coordinates","277668","2022-09-06","10:11:48",""
"7061650","9.121","0.0007","5.9953","0.0005","14.557","0.0012","90","","100.853","0.003","90","","781.78","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl2 N4 O4 -","- C4 Cl2 N4 O4 -","- C16 Cl8 N16 O16 -","4","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.047","0.0312","","","0.0602","0.0681","","","","","","1.076","","","","has coordinates","277132","2022-08-06","11:58:05",""
"7061651","13.829","0.003","7.0389","0.0013","15.224","0.003","90","","90","","90","","1481.9","0.5","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H Cl2 N5 O2 -","- C4 H Cl2 N5 O2 -","- C32 H8 Cl16 N40 O16 -","8","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.1028","0.0622","","","0.1485","0.1733","","","","","","1.048","","","","has coordinates","277132","2022-08-06","11:58:05",""
"7061652","10.385","0.011","15.693","0.015","19.459","0.017","86.509","0.017","84.409","0.018","78.61","0.02","3091","5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H38.5 N5.5 O9.5 S2 Zn2 -","- C50 H28 N4 O8 S2 Zn2 -","- C100 H56 N8 O16 S4 Zn4 -","2","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.0941","0.0633","","","0.1681","0.1789","","","","","","1.086","","","","has coordinates,has disorder","277132","2022-08-06","11:58:05",""
"7061653","5.0887","0.0016","7.8054","0.0019","7.906","0.002","89.639","0.007","80.847","0.01","89.131","0.01","309.98","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 N4 O4 -","- C4 H4 N4 O4 -","- C8 H8 N8 O8 -","2","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.0753","0.0508","","","0.1044","0.1182","","","","","","1.078","","","","has coordinates,has disorder","277132","2022-08-06","11:58:05",""
"7061654","10.115","0.012","19.4","0.03","16.472","0.017","90","","102.15","0.02","90","","3160","7","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O6 S Zn -","- C25 H14 N2 O4 S Zn -","- C100 H56 N8 O16 S4 Zn4 -","4","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.1338","0.0678","","","0.1811","0.1966","","","","","","0.951","","","","has coordinates,has disorder","277132","2022-08-06","11:58:05",""
"7061655","9.3585","0.0014","5.3944","0.0009","15.367","0.002","90","","94.035","0.004","90","","773.9","0.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H N7 O3 -","- C4 H N7 O3 -","- C16 H4 N28 O12 -","4","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.1176","0.0584","","","0.1328","0.1638","","","","","","1.031","","","","has coordinates","277132","2022-08-06","11:58:05",""
"7061656","8.9927","0.0005","15.7743","0.0009","21.8858","0.0014","90","","90","","90","","3104.6","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 O3 -","- C4 Cl2 N4 O3 -","- C64 Cl32 N64 O48 -","16","2","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.073","0.0539","","","0.1243","0.1393","","","","","","1.027","","","","has coordinates,has disorder","277132","2022-08-06","11:58:05",""
"7061657","7.6356","0.0005","8.2211","0.0005","9.0033","0.0007","90.202","0.006","107.895","0.006","100.224","0.005","528.26","0.07","294.26","0.1","294.26","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H6 N2 O4 -","- C14 H6 N2 O4 -","- C28 H12 N4 O8 -","2","1","","Wei, Tai-Bao; Dang, Li-Rong; Hu, Jian-Peng; Jia, Yu; Lin, Qi; Yao, Hong; Shi, Bingbing; Zhang, You-Ming; Qu, Wen-Juan","A simple phenazine derivative fluorescence sensor for detecting formaldehyde","New Journal of Chemistry","2022","46","43","20658","20663","10.1039/D2NJ02586H","","x-ray","1.54184","CuKα","","0.0432","0.038","","","0.1106","0.117","","","","","","1.073","","","","has coordinates","280187","2023-01-06","09:51:41",""
"7061658","10.6875","0.0016","20.073","0.003","22.491","0.003","90","","90","","90","","4825","1.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","dihydroquinolinones","(E)-3-(4-bromobenzylidene)-2-(2-methoxyphenyl)-2,3-dihydro-1-(phenylsulfo-nyl)quinolin-4(1H)-one","","- C29 H22 Br N O4 S -","- C29 H22 Br N O4 S -","- C232 H176 Br8 N8 O32 S8 -","8","1","","Sallum, Loide O.; Valverde, Clodoaldo; Andrade, Igor L.; D’Oliveira, Giulio D. C.; Perez, Caridad N.; Camargo, Ademir J.; Osório, Francisco A. P.; Fonseca, Tertius L.; Napolitano, Hamilton B.","Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones","New Journal of Chemistry","2022","46","29","14192","14204","10.1039/D2NJ00501H","","","0.71073","MoKα","","0.0302","0.0238","","","0.0606","0.0633","","","","","","1.039","","","","has coordinates","276932","2022-07-26","00:26:50",""
"7061659","10.7125","0.001","20.0428","0.0019","22.431","0.002","90","","90","","90","","4816.1","0.8","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","dihydroquinolinones","(E)-3-(4-chlorobenzylidene)-2-(2-methoxyphenyl)-2,3-dihydro-1-(phenylsulfo-nyl)quinolin-4(1H)-one","","- C29 H22 Cl N O4 S -","- C29 H22 Cl N O4 S -","- C232 H176 Cl8 N8 O32 S8 -","8","1","","Sallum, Loide O.; Valverde, Clodoaldo; Andrade, Igor L.; D’Oliveira, Giulio D. C.; Perez, Caridad N.; Camargo, Ademir J.; Osório, Francisco A. P.; Fonseca, Tertius L.; Napolitano, Hamilton B.","Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones","New Journal of Chemistry","2022","46","29","14192","14204","10.1039/D2NJ00501H","","","0.71073","MoKα","","0.0547","0.036","","","0.0825","0.0914","","","","","","1.008","","","","has coordinates","276932","2022-07-26","00:26:51",""
"7061660","22.2498","0.0004","14.4513","0.0002","25.8064","0.0005","90","","114.086","0.002","90","","7575.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H80 Nb4 O22 -","- C72 H80 Nb4 O22 -","- C288 H320 Nb16 O88 -","4","0.5","","Zhang, Xin; Prior, Timothy J.; Redshaw, Carl","Niobium and Tantalum complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2): synthesis, structure and ROP capability","New Journal of Chemistry","2022","46","29","14146","14154","10.1039/D2NJ02527B","","x-ray","0.71075","MoKα","K-L~3~","0.0374","0.0317","","","0.0831","0.0856","","","","","","1.06","","","","has coordinates,has disorder","276933","2022-07-26","00:28:22",""
"7061661","22.2617","0.0004","14.3187","0.0002","25.8451","0.0008","90","","114.593","0.002","90","","7491","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H81.5 N0.5 O22 Ta4 -","- C72 H80 O22 Ta4 -","- C288 H320 O88 Ta16 -","4","0.5","","Zhang, Xin; Prior, Timothy J.; Redshaw, Carl","Niobium and Tantalum complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2): synthesis, structure and ROP capability","New Journal of Chemistry","2022","46","29","14146","14154","10.1039/D2NJ02527B","","x-ray","0.71075","MoKα","K-L~3~","0.0226","0.0194","","","0.0464","0.0475","","","","","","1.03","","","","has coordinates,has disorder","276933","2022-07-26","00:28:23",""
"7061662","54.1856","0.0008","10.708","0.0002","22.4972","0.0004","90","","92.7533","0.0014","90","","13038.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68.5 H74.75 N6.25 O13 Ta2 -","- C64 H68 N4 O13 Ta2 -","- C512 H544 N32 O104 Ta16 -","8","1","","Zhang, Xin; Prior, Timothy J.; Redshaw, Carl","Niobium and Tantalum complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2): synthesis, structure and ROP capability","New Journal of Chemistry","2022","46","29","14146","14154","10.1039/D2NJ02527B","","x-ray","0.71075","MoKα","","0.0694","0.0561","","","0.142","0.151","","","","","","1.039","","","","has coordinates,has disorder","276933","2022-07-26","00:28:23",""
"7061663","54.0723","0.0004","10.74623","0.0001","22.47203","0.00018","90","","92.8757","0.0007","90","","13041.5","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N6 Nb2 O13 -","- C64 H68 N4 Nb2 O13 -","- C512 H544 N32 Nb16 O104 -","8","1","","Zhang, Xin; Prior, Timothy J.; Redshaw, Carl","Niobium and Tantalum complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2): synthesis, structure and ROP capability","New Journal of Chemistry","2022","46","29","14146","14154","10.1039/D2NJ02527B","","x-ray","0.71075","MoKα","K-L~3~","0.0387","0.034","","","0.0858","0.0881","","","","","","1.034","","","","has coordinates,has disorder","276933","2022-07-26","00:28:23",""
"7061664","5.4325","0.0003","13.6955","0.0008","12.3557","0.0007","90","","93.876","0.002","90","","917.17","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H N7 O7 -","- C4 H N7 O7 -","- C16 H4 N28 O28 -","4","1","","Zhang, Xiya; Lin, Xiangyang","Simple methods for the introduction of nitrate ester, amino and diazo-oxide substituents into dinitromethylpyrazole","New Journal of Chemistry","2022","46","29","14186","14191","10.1039/D2NJ02078E","","","0.71073","MoKα","","0.0576","0.0387","","","0.0814","0.0938","","","","","","1.0825","","","","has coordinates","276934","2022-07-26","00:29:34",""
"7061665","11.1","0.003","15.461","0.003","6.9205","0.0019","90","","102.99","0.01","90","","1157.3","0.5","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cl K N6 O9 -","- C4 H2 Cl K N6 O9 -","- C16 H8 Cl4 K4 N24 O36 -","4","1","","Zhang, Xiya; Lin, Xiangyang","Simple methods for the introduction of nitrate ester, amino and diazo-oxide substituents into dinitromethylpyrazole","New Journal of Chemistry","2022","46","29","14186","14191","10.1039/D2NJ02078E","","","0.71073","MoKα","","0.0975","0.0501","","","0.0804","0.1027","","","","","","1.1287","","","","has coordinates","276934","2022-07-26","00:29:35",""
"7061666","10.9418","0.0019","15.988","0.003","6.7678","0.001","90","","100.161","0.006","90","","1165.4","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O9 -","- C4 H8 N8 O9 -","- C16 H32 N32 O36 -","4","1","","Zhang, Xiya; Lin, Xiangyang","Simple methods for the introduction of nitrate ester, amino and diazo-oxide substituents into dinitromethylpyrazole","New Journal of Chemistry","2022","46","29","14186","14191","10.1039/D2NJ02078E","","","0.71073","MoKα","","0.0801","0.0406","","","0.049","0.0604","","","","","","1.1145","","","","has coordinates","276934","2022-07-26","00:29:35",""
"7061667","14.4214","0.001","12.2255","0.0009","14.5032","0.001","90","","95.431","0.007","90","","2545.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O5 -","- C32 H25 N O5 -","- C128 H100 N4 O20 -","4","1","","Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya.","Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade","New Journal of Chemistry","2022","46","33","16047","16057","10.1039/D2NJ02019J","","x-ray","0.71073","MoKα","","0.1294","0.0605","","","0.1544","0.2183","","","","","","1.005","","","","has coordinates","277672","2022-09-06","10:12:42",""
"7061668","11.9059","0.0006","13.1467","0.0009","16.8474","0.0012","95.452","0.006","94.131","0.005","97.412","0.005","2593.6","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H23 F3 O3 -","- C33 H23 F3 O3 -","- C132 H92 F12 O12 -","4","2","","Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya.","Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade","New Journal of Chemistry","2022","46","33","16047","16057","10.1039/D2NJ02019J","","","0.7107","MoKα","","0.1758","0.0659","","","0.1371","0.2033","","","","","","1.028","","","","has coordinates","277672","2022-09-06","10:12:42",""
"7061669","9.792","0.0006","12.2767","0.0008","19.2845","0.0012","87.355","0.005","85.247","0.005","88.238","0.005","2307","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F3 N O5 -","- C27 H20 F3 N O5 -","- C108 H80 F12 N4 O20 -","4","2","","Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya.","Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade","New Journal of Chemistry","2022","46","33","16047","16057","10.1039/D2NJ02019J","","x-ray","0.71073","MoKα","","0.1528","0.0635","","","0.1346","0.1968","","","","","","1.001","","","","has coordinates,has disorder","277672","2022-09-06","10:12:42",""
"7061670","8.9834","0.001","11.4504","0.0011","19.4781","0.0018","73.898","0.008","86.642","0.008","83.762","0.008","1912.7","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H33 Cl F3 N O9 -","- C38 H33 Cl F3 N O9 -","- C76 H66 Cl2 F6 N2 O18 -","2","1","","Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya.","Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade","New Journal of Chemistry","2022","46","33","16047","16057","10.1039/D2NJ02019J","","x-ray","0.71073","MoKα","","0.177662","0.073808","","","","0.225982","","","","","","1.04314","","","","has coordinates","277672","2022-09-06","10:12:42",""
"7061671","8.4663","0.0007","12.6932","0.0012","13.86","0.0013","79.867","0.008","78.202","0.007","85.035","0.007","1433.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Cl2 F3 N3 O3 -","- C33 H22 Cl2 F3 N3 O3 -","- C66 H44 Cl4 F6 N6 O6 -","2","1","","Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya.","Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade","New Journal of Chemistry","2022","46","33","16047","16057","10.1039/D2NJ02019J","","x-ray","0.71073","MoKα","","0.1474","0.0604","","","0.1253","0.188","","","","","","1.02","","","","has coordinates","277672","2022-09-06","10:12:42",""
"7061672","6.4132","0.0004","10.9919","0.0007","40.683","0.002","90","","90","","90","","2867.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Cl N4 O4 -","- C35 H30 Cl N4 O4 -","- C140 H120 Cl4 N16 O16 -","4","1","","Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Zhang, Jianfang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Catalytic asymmetric construction of dispirotriheterocyclic structures through [3+2] cycloadditions of 4-amino pyrazolone-based azomethine ylides","New Journal of Chemistry","2022","46","29","14155","14158","10.1039/D2NJ02895F","","","0.71073","MoKα","","0.0623","0.0435","","","0.0912","0.0979","","","","","","1.048","","","","has coordinates","276936","2022-07-26","00:31:32",""
"7061673","13.7476","0.0003","15.1011","0.0004","16.5961","0.0004","71.075","0.002","88.051","0.003","85.084","0.003","3247.11","0.14","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C96 H116 Cl16 F4 Fe4 N24 O8 P16 -","4","2","","Elmas, Gamze; Binici, Arzu; Yakut, Mehtap; Okumuş, Aytuğ; Kılıç, Zeynel; Çoşut, Bünyemin; Hökelek, Tuncer; Çerçi, Nebahat Aytuna; Açık, Leyla","Phosphorus–nitrogen compounds. Part 64. Comparative reactions of spiro and ansa (N/O) cyclotetraphosphazenes with bulky (4-fluorobenzyl) N/N and N/O donor type bidentate reagents: structure, stereogenic properties and cytotoxic activity studies","New Journal of Chemistry","2022","46","33","16096","16113","10.1039/D2NJ02280J","","","0.71073","MoKα","","0.1867","0.0786","","","0.1583","0.2163","","","","","","0.965","","","","has coordinates","277670","2022-09-06","10:12:17",""
"7061674","12.8607","0.0004","6.1943","0.0003","40.5519","0.0005","90","","90","","90","","3230.49","0.19","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C96 H116 Cl16 F4 Fe4 N24 O8 P16 -","4","1","","Elmas, Gamze; Binici, Arzu; Yakut, Mehtap; Okumuş, Aytuğ; Kılıç, Zeynel; Çoşut, Bünyemin; Hökelek, Tuncer; Çerçi, Nebahat Aytuna; Açık, Leyla","Phosphorus–nitrogen compounds. Part 64. Comparative reactions of spiro and ansa (N/O) cyclotetraphosphazenes with bulky (4-fluorobenzyl) N/N and N/O donor type bidentate reagents: structure, stereogenic properties and cytotoxic activity studies","New Journal of Chemistry","2022","46","33","16096","16113","10.1039/D2NJ02280J","","","0.71073","MoKα","","0.0882","0.0489","","","0.0815","0.0939","","","","","","1.056","","","","has coordinates,has disorder","277670","2022-09-06","10:12:18",""
"7061675","9.3394","0.0002","11.5662","0.0002","14.9335","0.0003","112.248","0.002","99.31","0.002","99.762","0.002","1425.56","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 O11 Rh2 Si2 -","- C20 H36 O11 Rh2 Si2 -","- C40 H72 O22 Rh4 Si4 -","2","1","","Ishizaka, Yusuke; Matsumoto, Kazuhiro; Sato, Kazuhiko; Choi, Jun-Chul","Multinuclear rhodium complexes supported by tetra-tert-butoxy disiloxide ligand: synthesis, structure, and reactivity","New Journal of Chemistry","2022","46","33","16040","16046","10.1039/D2NJ03095K","","x-ray","0.71073","MoKα","","0.0369","0.0281","","","0.0888","0.0962","","","","","","0.768","","","","has coordinates","277671","2022-09-06","10:12:27",""
"7061676","18.8299","0.0003","11.579","0.0002","20.3542","0.0004","90","","102.325","0.002","90","","4335.57","0.14","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H36 O3.5 P2 Rh Si -","- C14 H36 O3.5 P2 Rh Si -","- C112 H288 O28 P16 Rh8 Si8 -","8","1","","Ishizaka, Yusuke; Matsumoto, Kazuhiro; Sato, Kazuhiko; Choi, Jun-Chul","Multinuclear rhodium complexes supported by tetra-tert-butoxy disiloxide ligand: synthesis, structure, and reactivity","New Journal of Chemistry","2022","46","33","16040","16046","10.1039/D2NJ03095K","","","0.71073","MoKα","","0.0162","0.0155","","","0.0381","0.0384","","","","","","1.09","","","","has coordinates","277671","2022-09-06","10:12:28",""
"7061677","20.3842","0.0004","11.6384","0.0002","17.9317","0.0004","90","","108.738","0.002","90","","4028.63","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 O7 P2 Rh2 Si2 -","- C30 H66 O7 P2 Rh2 Si2 -","- C120 H264 O28 P8 Rh8 Si8 -","4","1","","Ishizaka, Yusuke; Matsumoto, Kazuhiro; Sato, Kazuhiko; Choi, Jun-Chul","Multinuclear rhodium complexes supported by tetra-tert-butoxy disiloxide ligand: synthesis, structure, and reactivity","New Journal of Chemistry","2022","46","33","16040","16046","10.1039/D2NJ03095K","","x-ray","0.71073","MoKα","","0.0296","0.0251","","","0.1032","0.1081","","","","","","0.924","","","","has coordinates","277671","2022-09-06","10:12:28",""
"7061678","6.2372","0.0008","10.2168","0.0005","10.4548","0.0015","89.654","0.008","86.046","0.012","84.783","0.008","661.88","0.13","122","1","122","1","","","","","","","","4","P -1","-P 1","2","","Benzylammonium p-carbamoylbenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Barman, Sayani; Jana, Subhendu; Panigrahi, Gopabandhu; Yadav, Sweta; Niranjan, Manish K.; Prakash, Jai","Ba3Zr2Cu4S9: the first quaternary phase of the Ba–Zr–Cu–S system","New Journal of Chemistry","2022","46","33","15976","15986","10.1039/D2NJ02972C","","","0.71069","MoKα","","0.0405","0.0351","","","0.0966","0.1003","","","","","","1.086","","","","has coordinates","277674","2022-09-06","10:12:55",""
"7061679","7.468","0.0002","16.3335","0.0005","26.4825","0.0008","90","","97.008","0.003","90","","3206.16","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","2","","Girase, Jaipal Devesing; Kajjam, Aravind Babu; Dubey, Deepak Kumar; Kesavan, Kiran Kishore; Jou, Jwo-Huei; Vaidyanathan, Sivakumar","Unipolar 1-phenylimidazo[1,5-a]pyridine: a new class of ultra-bright sky-blue emitters for solution-processed organic light emitting diodes","New Journal of Chemistry","2022","46","35","16717","16729","10.1039/D2NJ01938H","","x-ray","0.71073","MoKα","","0.061","0.0428","","","0.1082","0.118","","","","","","1.071","","","","has coordinates","278456","2022-10-07","01:10:35",""
"7061680","16.8196","0.0009","9.2131","0.0004","13.9884","0.0007","90","","112.944","0.006","90","","1996.16","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 N2 -","- C29 H18 N2 -","- C116 H72 N8 -","4","1","","Girase, Jaipal Devesing; Kajjam, Aravind Babu; Dubey, Deepak Kumar; Kesavan, Kiran Kishore; Jou, Jwo-Huei; Vaidyanathan, Sivakumar","Unipolar 1-phenylimidazo[1,5-a]pyridine: a new class of ultra-bright sky-blue emitters for solution-processed organic light emitting diodes","New Journal of Chemistry","2022","46","35","16717","16729","10.1039/D2NJ01938H","","x-ray","0.71073","MoKα","","0.1138","0.068","","","0.1922","0.2218","","","","","","1.073","","","","has coordinates","278456","2022-10-07","01:10:35",""
"7061681","10.495","0.0005","12.7517","0.0006","13.8793","0.0006","89.712","0.002","77.113","0.002","75.288","0.002","1748.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Au2 F12 P6 -","- C66 H78 Au2 F12 P6 -","- C66 H78 Au2 F12 P6 -","1","0.5","","Sulaiman, Adam A. A.; Ahmad, Saeed; Mujahid Hashimi, Saeed; Alqosaibi, Amany I.; Peedikakkal, Abdul Malik Puthan; Alhoshani, Ali; Alsaleh, Nasser B.; Isab, Anvarhusein A.","Novel dinuclear gold(i) complexes containing bis(diphenylphosphano)alkanes and (biphenyl-2-yl)(di-tert-butyl)phosphane: synthesis, structural characterization and anticancer activity","New Journal of Chemistry","2022","46","35","16821","16831","10.1039/D2NJ01680J","","","0.71073","MoKα","","0.0596","0.0396","","","0.0973","0.1045","","","","","","1.105","","","","has coordinates","278455","2022-10-07","01:10:24",""
"7061682","24.428","0.007","11.823","0.004","26.342","0.011","90","","117.286","0.005","90","","6761","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H Au2 F12 N P6 -","- C66 H80 Au2 F12 N P6 -","- C264 H320 Au8 F48 N4 P24 -","4","0.5","","Sulaiman, Adam A. A.; Ahmad, Saeed; Mujahid Hashimi, Saeed; Alqosaibi, Amany I.; Peedikakkal, Abdul Malik Puthan; Alhoshani, Ali; Alsaleh, Nasser B.; Isab, Anvarhusein A.","Novel dinuclear gold(i) complexes containing bis(diphenylphosphano)alkanes and (biphenyl-2-yl)(di-tert-butyl)phosphane: synthesis, structural characterization and anticancer activity","New Journal of Chemistry","2022","46","35","16821","16831","10.1039/D2NJ01680J","","","0.71073","MoKα","","0.0824","0.0506","","","0.1449","0.1632","","","","","","0.973","","","","has coordinates","278455","2022-10-07","01:10:26",""
"7061683","24.3842","0.0011","11.8498","0.0005","26.2952","0.0016","90","","117.195","0.002","90","","6758","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H Au2 F12 P6 -","- C67 H80 Au2 F12 P6 -","- C268 H320 Au8 F48 P24 -","4","0.5","","Sulaiman, Adam A. A.; Ahmad, Saeed; Mujahid Hashimi, Saeed; Alqosaibi, Amany I.; Peedikakkal, Abdul Malik Puthan; Alhoshani, Ali; Alsaleh, Nasser B.; Isab, Anvarhusein A.","Novel dinuclear gold(i) complexes containing bis(diphenylphosphano)alkanes and (biphenyl-2-yl)(di-tert-butyl)phosphane: synthesis, structural characterization and anticancer activity","New Journal of Chemistry","2022","46","35","16821","16831","10.1039/D2NJ01680J","","","0.71073","MoKα","","0.0906","0.0492","","","0.1035","0.1179","","","","","","1.023","","","","has coordinates","278455","2022-10-07","01:10:26",""
"7061684","27.0452","0.0008","27.0452","0.0008","29.771","0.0007","90","","90","","120","","18858.4","0.9","299","2","299","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C93.61 H118.44 Dy6 N18 O48.61 -","- C93.61 H118.44 Dy6 N18 O48.61 -","- C561.66 H710.64 Dy36 N108 O291.66 -","6","0.333333","","Gebrezgiabher, Mamo; Schlittenhardt, Sören; Rajnák, Cyril; Kuchár, Juraj; Sergawie, Assefa; Černák, Juraj; Ruben, Mario; Thomas, Madhu; Boča, Roman","A dinuclear dysprosium Schiff base complex showing slow magnetic relaxation in the absence of an external magnetic field","New Journal of Chemistry","2022","46","35","16702","16707","10.1039/D2NJ02591D","","","0.71073","MoKα","","0.0372","0.0276","","","0.0618","0.0662","","","","","","1.025","","","","has coordinates,has disorder","278467","2022-10-07","01:15:13",""
"7061685","11.796","0.002","12.213","0.002","16.518","0.003","91.35","0.03","94.15","0.03","93.85","0.03","2367.1","0.7","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H44 N2 O6 -","- C64 H44 N2 O6 -","- C128 H88 N4 O12 -","2","1","","Gayathri, Parthasarathy; Subramaniyan, Siva Bala; Veerappan, Anbazhagan; Anwarhussaini, Syed; Jayanty, Subbalakshmi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Dark to bright fluorescence state by inter-connecting fluorophores: concentration-dependent blue to NIR emission and live cell imaging applications","New Journal of Chemistry","2022","46","34","16409","16418","10.1039/D2NJ03457C","","","0.61","synchrotron","","0.3367","0.0918","","","0.2373","0.322","","","","","","0.72","","","","has coordinates","277679","2022-09-06","10:14:13",""
"7061686","7.078","0.0003","15.0011","0.0008","21.4924","0.0011","90","","91.892","0.002","90","","2280.77","0.19","200","2","200.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetraethilammonium 1-chloro-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","tetraethilammonium 1-chloro-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C18 H28 Cl N7 O Se -","- C18 H28 Cl N7 O Se -","- C72 H112 Cl4 N28 O4 Se4 -","4","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0451","0.0316","","","0.0856","0.0959","","","","","","1.062","","","","has coordinates,has disorder","277034","2022-08-02","00:24:11",""
"7061687","16.8201","0.0008","20.0393","0.0011","13.7957","0.0008","90","","112.564","0.002","90","","4294.1","0.4","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetraethilammonium 1-iodo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","tetraethilammonium 1-iodo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C32 H50 I2 N14 O Se2 -","- C32 H50 I2 N14 O Se2 -","- C128 H200 I8 N56 O4 Se8 -","4","0.5","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0573","0.04","","","0.1007","0.1183","","","","","","1.074","","","","has coordinates","277034","2022-08-02","00:24:12",""
"7061688","16.559","0.0007","19.9679","0.0009","13.5371","0.0007","90","","112.668","0.002","90","","4130.3","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetraethilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","tetraethilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C16 H25 Br N7 O0.5 Se -","- C16 H25 Br N7 O0.5 Se -","- C128 H200 Br8 N56 O4 Se8 -","8","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0589","0.0284","","","0.0606","0.0731","","","","","","1.052","","","","has coordinates","277034","2022-08-02","00:24:12",""
"7061689","6.9738","0.0002","14.0802","0.0006","14.7332","0.0007","103.557","0.002","94.675","0.002","93.39","0.001","1397.12","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","tetraphenylphosphonium 1-chloro-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","tetraphenylphosphonium 1-chloro-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C30 H20 Cl N6 P Se -","- C30 H20 Cl N6 P Se -","- C60 H40 Cl2 N12 P2 Se2 -","2","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0613","0.0362","","","0.0872","0.1","","","","","","1.024","","","","has coordinates","277034","2022-08-02","00:24:12",""
"7061690","9.8387","0.0014","6.5947","0.0007","14.4796","0.0019","90","","92.018","0.005","90","","938.9","0.2","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","trimethylbenzilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","trimethylbenzilammonium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide","","- C16 H16 Br N7 Se -","- C16 H16 Br N7 Se -","- C32 H32 Br2 N14 Se2 -","2","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.056","0.0309","","","0.0626","0.0691","","","","","","1.034","","","","has coordinates","277034","2022-08-02","00:24:13",""
"7061691","7.5052","0.0005","10.9758","0.0008","16.5976","0.0017","106.379","0.007","92.267","0.008","104.84","0.007","1258.75","0.19","173","","173","2","","","","","","","","7","P -1","-P 1","2","potassium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide potassium with 18-crown-6","potassium 1-bromo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide potassium with 18-crown-6","","- C18 H24 Br K N6 O6 Se -","- C18 H24 Br K N6 O6 Se -","- C36 H48 Br2 K2 N12 O12 Se2 -","2","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71075","MoKα","","0.031","0.0226","","","0.057","0.0594","","","","","","1.027","","","","has coordinates","277034","2022-08-02","00:24:13",""
"7061692","7.8062","0.0004","22.5996","0.0014","14.9943","0.0009","90","","102.719","0.002","90","","2580.3","0.3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","potassium 1-iodo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide potassium with 18-crown-6","potassium 1-iodo-5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide potassium with 18-crown-6","","- C18 H24 I K N6 O6 Se -","- C18 H24 I K N6 O6 Se -","- C72 H96 I4 K4 N24 O24 Se4 -","4","1","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0678","0.036","","","0.069","0.0813","","","","","","1.068","","","","has coordinates","277034","2022-08-02","00:24:13",""
"7061693","9.8914","0.0009","12.6394","0.001","22.8","0.002","92.513","0.003","94.141","0.003","111.522","0.003","2637.2","0.4","200","2","200.04","","","","","","","","","5","P -1","-P 1","2","tetraethilammonium 1-chloro-(5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide)4","tetraethilammonium 1-chloro-(5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazolide)4","","- C20 H20 Cl N13 Se2 -","- C20 H20 Cl N13 Se2 -","- C80 H80 Cl4 N52 Se8 -","4","2","","Radiush, Ekaterina A.; Pritchina, Elena A.; Chulanova, Elena A.; Dmitriev, Alexey A.; Bagryanskaya, Irina Yu; Slawin, Alexandra M. Z.; Woollins, J. Derek; Gritsan, Nina P.; Zibarev, Andrey V.; Semenov, Nikolay A.","Chalcogen-bonded donor–acceptor complexes of 5,6-dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine with halide ions","New Journal of Chemistry","2022","46","30","14490","14501","10.1039/D2NJ02345H","","","0.71073","MoKα","","0.0688","0.0397","","","0.0893","0.1007","","","","","","1","","","","has coordinates","277034","2022-08-02","00:24:13",""
"7061694","6.1239","0.0008","17.725","0.003","18.644","0.003","65.607","0.006","80.571","0.005","89.902","0.005","1813.3","0.5","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C92 H64 Cl4 N4 O4 -","4","2","","Zhang, Jie; Song, Xue; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Phosphine-catalysed intermolecular cyclopropanation reaction between benzyl bromides and activated alkenes","New Journal of Chemistry","2022","46","34","16382","16386","10.1039/D2NJ03417D","","","0.71073","MoKα","","0.0984","0.0797","","","0.2013","0.2226","","","","","","1.015","","","","has coordinates","277680","2022-09-06","10:14:23",""
"7061695","7.3837","0.0009","15.434","0.002","12.6134","0.0018","90","","117.249","0.01","90","","1277.9","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl N O Ru -","- C15 H12 Cl N O Ru -","- C60 H48 Cl4 N4 O4 Ru4 -","4","1","","Vatsa, Aditi; Padhi, Sumanta Kumar","Formic acid dehydrogenation by [Ru(η6-benzene)(L)Cl] catalysts: L = 2-methylquinolin-8-olate and quinolin-8-olate","New Journal of Chemistry","2022","46","32","15723","15731","10.1039/D2NJ03121C","","x-ray","0.71073","MoKα","","0.0544","0.0378","","","0.0665","0.0723","","","","","","1.0164","","","","has coordinates","277669","2022-09-06","10:11:55",""
"7061696","7.562","0.0007","9.2366","0.0008","9.7047","0.0008","91.151","0.007","91.017","0.007","98.196","0.007","670.64","0.1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 N2 O2 Ru2 -","- C32 H28 Cl2 N2 O2 Ru2 -","- C32 H28 Cl2 N2 O2 Ru2 -","1","0.5","","Vatsa, Aditi; Padhi, Sumanta Kumar","Formic acid dehydrogenation by [Ru(η6-benzene)(L)Cl] catalysts: L = 2-methylquinolin-8-olate and quinolin-8-olate","New Journal of Chemistry","2022","46","32","15723","15731","10.1039/D2NJ03121C","","x-ray","0.71073","MoKα","","0.0404","0.0331","","","0.0661","0.068","","","","","","0.9893","","","","has coordinates","277669","2022-09-06","10:11:55",""
"7061697","22.384","0.003","14.7774","0.0016","14.2404","0.0015","90","","90","","90","","4710.4","1","249","2","249","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H44 Cd2 Fe2 I4 N4 O9 -","- C40 H44 Cd2 Fe2 I4 N4 O9 -","- C160 H176 Cd8 Fe8 I16 N16 O36 -","4","0.5","","Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi","Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand","New Journal of Chemistry","2022","46","35","16730","16742","10.1039/D2NJ03357G","","","0.71073","MoKα","","0.0523","0.0423","","","0.112","0.125","","","","","","0.994","","","","has coordinates","278462","2022-10-07","01:13:12",""
"7061698","12.7602","0.0005","13.8269","0.0005","23.4103","0.0009","90","","90","","90","","4130.4","0.3","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Fe N5 O5 -","- C20 H24 Fe N5 O5 -","- C160 H192 Fe8 N40 O40 -","8","1","","Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi","Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand","New Journal of Chemistry","2022","46","35","16730","16742","10.1039/D2NJ03357G","","","0.71073","MoKα","","0.0488","0.0429","","","0.119","0.1282","","","","","","1.053","","","","has coordinates","278462","2022-10-07","01:13:13",""
"7061699","13.4219","0.0011","14.2127","0.0012","14.3147","0.0012","99.537","0.004","116.91","0.003","95.298","0.004","2357.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Cl4 Fe2 Hg2 N4 O10 -","- C40 H44 Cl4 Fe2 Hg2 N4 O10 -","- C80 H88 Cl8 Fe4 Hg4 N8 O20 -","2","1","","Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi","Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand","New Journal of Chemistry","2022","46","35","16730","16742","10.1039/D2NJ03357G","","","0.71073","MoKα","","0.0865","0.0365","","","0.0659","0.0835","","","","","","0.989","","","","has coordinates","278462","2022-10-07","01:13:13",""
"7061700","15.167","0.008","8.833","0.005","15.473","0.01","90","","118.39","0.03","90","","1823.6","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N8 -","- C48 H40 N8 -","- C96 H80 N16 -","2","0.5","","Yadav, Usha; Verma, Madhu; Abbas, Zafar; Sivakumar, Sri; Patra, Ashis K.","An emissive dual-sensitized bimetallic Eu2III-bioprobe: design strategy, biological interactions, and nucleolus staining studies","New Journal of Chemistry","2022","46","33","16007","16018","10.1039/D2NJ02853K","","","0.71073","MoKα","","0.0877","0.0552","","","0.1321","0.155","","","","","","1.033","","","","has coordinates","277673","2022-09-06","10:12:49",""
"7061701","17.642","0.006","19.539","0.007","26.908","0.009","100.238","0.015","98.553","0.014","91.101","0.016","9016","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H116 N4 O6 Zn2 -","- C98 H116 N4 O6 Zn2 -","- C392 H464 N16 O24 Zn8 -","4","2","","Malik, Payal; Jain, Isha","Synthesis and characterization of a double helical dinuclear Zn–salen complex and its application in the detection of nitroaromatics","New Journal of Chemistry","2022","46","32","15296","15300","10.1039/D2NJ02269A","","","0.71073","MoKα","","0.1321","0.0789","","","0.1632","0.1975","","","","","","1.058","","","","has coordinates,has disorder","277667","2022-09-06","10:11:30",""
"7061702","13.5134","0.0011","24.709","0.002","12.1453","0.001","90","","112.292","0.003","90","","3752.3","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N2 O3 -","- C42 H52 N2 O3 -","- C168 H208 N8 O12 -","4","1","","Malik, Payal; Jain, Isha","Synthesis and characterization of a double helical dinuclear Zn–salen complex and its application in the detection of nitroaromatics","New Journal of Chemistry","2022","46","32","15296","15300","10.1039/D2NJ02269A","","","0.71073","MoKα","","0.0944","0.0614","","","0.1434","0.1598","","","","","","1.057","","","","has coordinates","277667","2022-09-06","10:11:30",""
"7061703","14.2148","0.0006","21.5308","0.0006","14.5452","0.0006","90","","118.483","0.006","90","","3912.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B F4 Mn N4 O2 -","- C46 H44 B F4 Mn N4 O2 -","- C184 H176 B4 F16 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0645","0.0395","","","0.0808","0.0872","","","","","","1.002","","","","has coordinates","278453","2022-10-07","01:09:44",""
"7061704","14.3158","0.0005","21.8648","0.0006","14.6437","0.0006","90","","118.711","0.005","90","","4020.1","0.3","240","0.1","240","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B F4 Mn N4 O2 -","- C46 H44 B F4 Mn N4 O2 -","- C184 H176 B4 F16 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.064","0.0427","","","0.087","0.0955","","","","","","1.02","","","","has coordinates,has disorder","278453","2022-10-07","01:09:45",""
"7061705","14.2739","0.0007","21.7237","0.0006","14.5807","0.0006","90","","118.57","0.006","90","","3970.7","0.4","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B F4 Mn N4 O2 -","- C46 H44 B F4 Mn N4 O2 -","- C184 H176 B4 F16 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0818","0.0486","","","0.0929","0.1063","","","","","","0.994","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061706","14.2242","0.0005","22.6477","0.0007","14.5139","0.0006","90","","117.877","0.005","90","","4133","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0463","0.0322","","","0.0661","0.0716","","","","","","1.015","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061707","13.0849","0.0007","13.4898","0.0009","14.2694","0.0006","105.671","0.005","102.257","0.004","111.727","0.006","2111","0.3","160","0.1","160","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0988","0.0789","","","0.2163","0.2329","","","","","","1.041","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061708","14.3588","0.0009","22.9189","0.0012","14.4698","0.0009","90","","116.719","0.007","90","","4253.4","0.5","240","0.1","240","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.1006","0.0479","","","0.0623","0.0799","","","","","","0.928","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061709","14.2815","0.0006","22.8241","0.0012","14.429","0.0008","90","","117.062","0.006","90","","4188.4","0.4","160","0.1","160","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 B Br2 F2 Mn N4 O2 -","- C46 H44 B Br2 F2 Mn N4 O2 -","- C184 H176 B4 Br8 F8 Mn4 N16 O8 -","4","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.066","0.0399","","","0.0733","0.0816","","","","","","1.016","","","","has coordinates,has disorder","278453","2022-10-07","01:09:45",""
"7061710","13.0486","0.0007","13.4558","0.0009","14.2222","0.0009","105.615","0.006","102.221","0.005","111.652","0.006","2096","0.3","100","0.1","100","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.0916","0.076","","","0.1975","0.21","","","","","","1.049","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061711","13.1318","0.0009","13.4997","0.0013","14.3197","0.001","105.613","0.007","102.473","0.006","111.889","0.008","2121.7","0.4","240","0.1","240","0.1","","","","","","","","8","P 1","P 1","1","","","","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","- C92 H88 B2 Br4 F4 Mn2 N8 O4 -","1","1","","Tiunova, A. V.; Kazakova, A. V.; Korchagin, D. V.; Shilov, G. V.; Zakharov, K. V.; Vasiliev, A. N.; Yagubskii, E. B.","The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions","New Journal of Chemistry","2022","46","35","16880","16888","10.1039/D2NJ02872G","","","0.7107","MoKα","","0.1117","0.0797","","","0.2103","0.241","","","","","","1.038","","","","has coordinates","278453","2022-10-07","01:09:45",""
"7061712","13.613","0.0002","18.6032","0.0002","15.0166","0.0002","90","","90.264","0.001","90","","3802.84","0.09","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H17 Br N2 O0.5 S2 -","- C19.5 H17 Br N2 O0.5 S2 -","- C156 H136 Br8 N16 O4 S16 -","8","2","","Pragya,; Saini, Vaishali; Rangan, Krishnan; Khungar, Bharti","A pyrazinium-based fluorescent chemosensor for the selective detection of 2,4,6-trinitrophenol in an aqueous medium","New Journal of Chemistry","2022","46","35","16907","16913","10.1039/D2NJ02999E","","x-ray","1.54184","CuKα","","0.0504","0.0487","","","0.1321","0.1333","","","","","","1.104","","","","has coordinates","278457","2022-10-07","01:10:42",""
"7061713","18.0779","0.0003","20.0433","0.0003","14.3377","0.0003","90","","111.423","0.002","90","","4836.2","0.16","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H17 N5 O7 S2 -","- C25 H17 N5 O7 S2 -","- C200 H136 N40 O56 S16 -","8","1","","Pragya,; Saini, Vaishali; Rangan, Krishnan; Khungar, Bharti","A pyrazinium-based fluorescent chemosensor for the selective detection of 2,4,6-trinitrophenol in an aqueous medium","New Journal of Chemistry","2022","46","35","16907","16913","10.1039/D2NJ02999E","","x-ray","1.54184","CuKα","","0.0504","0.0473","","","0.1418","0.1451","","","","","","1.093","","","","has coordinates","278457","2022-10-07","01:10:43",""
"7061714","14.7541","0.0009","16.9877","0.001","25.1985","0.0015","98.378","0.002","97.84","0.002","100.313","0.002","6061.1","0.6","120.05","","120.05","","","","","","","","","6","P -1","-P 1","2","","","","- C123 H189 Cl3 N6 O12 Yb2 -","- C99 H141 Cl3 N6 O6 Yb2 -","- C198 H282 Cl6 N12 O12 Yb4 -","2","1","","Shi, Kai; Lu, Chengrong; Zhao, Bei","Carboxylation of terminal alkynes with CO2 catalyzed by imidazolium-bridged bis(phenolato) rare-earth metal complexes","New Journal of Chemistry","2022","46","35","16998","17003","10.1039/D2NJ03130B","","","0.71073","MoKα","","0.0954","0.0578","","","0.1433","0.1606","","","","","","1.038","","","","has coordinates","278461","2022-10-07","01:12:48",""
"7061715","14.5969","0.0006","24.3651","0.0011","31.8323","0.0012","90","","96.598","0.002","90","","11246.3","0.8","119.96","","119.96","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C115 H173 Cl3 N6 O10 Y2 -","- C99 H141 Cl3 N6 O6 Y2 -","- C396 H564 Cl12 N24 O24 Y8 -","4","1","","Shi, Kai; Lu, Chengrong; Zhao, Bei","Carboxylation of terminal alkynes with CO2 catalyzed by imidazolium-bridged bis(phenolato) rare-earth metal complexes","New Journal of Chemistry","2022","46","35","16998","17003","10.1039/D2NJ03130B","","","0.71073","MoKα","","0.1007","0.0552","","","0.1075","0.123","","","","","","1.032","","","","has coordinates","278461","2022-10-07","01:12:51",""
"7061716","14.662","0.0007","24.4805","0.0011","31.882","0.0013","90","","96.634","0.001","90","","11366.9","0.9","119.99","","119.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C123 H189 Cl3 N6 O12 Sm2 -","- C99 H141 Cl3 N6 O6 Sm2 -","- C396 H564 Cl12 N24 O24 Sm8 -","4","1","","Shi, Kai; Lu, Chengrong; Zhao, Bei","Carboxylation of terminal alkynes with CO2 catalyzed by imidazolium-bridged bis(phenolato) rare-earth metal complexes","New Journal of Chemistry","2022","46","35","16998","17003","10.1039/D2NJ03130B","","","0.71073","MoKα","","0.0516","0.0337","","","0.0838","0.0944","","","","","","1.037","","","","has coordinates","278461","2022-10-07","01:13:01",""
"7061717","17","0.002","21.841","0.002","32.617","0.004","90","","96.453","0.004","90","","12034","2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C121 H185 Cl3 N6 Nd2 O11.5 -","- C99 H141 Cl3 N6 Nd2 O6 -","- C396 H564 Cl12 N24 Nd8 O24 -","4","1","","Shi, Kai; Lu, Chengrong; Zhao, Bei","Carboxylation of terminal alkynes with CO2 catalyzed by imidazolium-bridged bis(phenolato) rare-earth metal complexes","New Journal of Chemistry","2022","46","35","16998","17003","10.1039/D2NJ03130B","","","0.71073","MoKα","","0.0548","0.0389","","","0.0987","0.1095","","","","","","1.026","","","","has coordinates","278461","2022-10-07","01:13:01",""
"7061718","11.67","0.003","11.841","0.003","15.414","0.004","103.069","0.007","107.134","0.008","105.422","0.008","1851.9","0.8","120","2","120.07","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H70 Mn3 N4 Ni2 O16 -","- C92 H70 Mn3 N4 Ni2 O16 -","- C92 H70 Mn3 N4 Ni2 O16 -","1","0.5","","Ganguly, Sayantan; Bhunia, Pradip; Mayans, Júlia; Ghosh, Ashutosh","Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities","New Journal of Chemistry","2022","46","36","17260","17271","10.1039/D2NJ02215J","","","0.71073","MoKα","","0.1183","0.0746","","","0.1719","0.2015","","","","","","1.048","","","","has coordinates","278448","2022-10-07","01:08:32",""
"7061719","13.202","0.003","26.949","0.006","12.759","0.003","90","","93.391","0.008","90","","4531.5","1.8","132","2","131.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H76 Cu2 Mn3 N10 O30 -","- C96 H76 Cu2 Mn3 N10 O30 -","- C192 H152 Cu4 Mn6 N20 O60 -","2","0.5","","Ganguly, Sayantan; Bhunia, Pradip; Mayans, Júlia; Ghosh, Ashutosh","Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities","New Journal of Chemistry","2022","46","36","17260","17271","10.1039/D2NJ02215J","","","0.71073","MoKα","","0.0658","0.0569","","","0.1517","0.1614","","","","","","1.029","","","","has coordinates","278448","2022-10-07","01:08:32",""
"7061720","17.228","0.003","16.992","0.003","15.245","0.003","90","","109.892","0.006","90","","4196.5","1.3","129","2","128.88","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H64 Cu2 Mn3 N10 O28 -","- C92 H64 Cu2 Mn3 N10 O28 -","- C184 H128 Cu4 Mn6 N20 O56 -","2","0.5","","Ganguly, Sayantan; Bhunia, Pradip; Mayans, Júlia; Ghosh, Ashutosh","Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities","New Journal of Chemistry","2022","46","36","17260","17271","10.1039/D2NJ02215J","","","0.71073","MoKα","","0.1055","0.0675","","","0.1613","0.194","","","","","","1.021","","","","has coordinates","278448","2022-10-07","01:08:32",""
"7061721","11.707","0.0002","12.8119","0.0003","13.2347","0.0003","113.617","0.001","98.395","0.001","111.486","0.001","1589.52","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H58 B18 N8 Na4 O67 V12 -","- C8 H58 B18 N8 Na4 O67 V12 -","- C8 H58 B18 N8 Na4 O67 V12 -","1","0.5","","Liu, Xinxin; Guo, Biao; Zhang, Le; Zhao, Sisi; Dong, Yuwei; Zhao, Zhen","Construction of a unique 2-D layered vanadoborate with water-assisted proton conductivity","New Journal of Chemistry","2022","46","34","16352","16358","10.1039/D2NJ03124H","","","0.71073","MoKα","","0.0624","0.0567","","","0.1565","0.1634","","","","","","1.059","","","","has coordinates,has disorder","277678","2022-09-06","10:14:06",""
"7061722","13.71","0.007","13.465","0.006","14.052","0.006","90","","104.078","0.012","90","","2516","2","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Cao, Yu; Shi, Qiyuan; Gao, Kai; Shao, Jiaan; Zhu, Huajian; Zeng, Linghui; Zhang, Chong; Xi, Jianjun; Zhuang, Rangxiao; Zhang, Jiankang","Self-[3+2] annulation reaction of pyridinium salts: synthesis of N-indolizine-substituted pyridine-2(1H)-ones","New Journal of Chemistry","2022","46","35","16651","16655","10.1039/D2NJ03232E","","","0.71073","MoKα","","0.0621","0.0467","","","0.1129","0.1227","","","","","","1.046","","","","has coordinates","278458","2022-10-07","01:10:53",""
"7061723","7.027","0.002","17.982","0.005","15.561","0.005","90","","101.167","0.011","90","","1929.1","1","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","","Cao, Yu; Shi, Qiyuan; Gao, Kai; Shao, Jiaan; Zhu, Huajian; Zeng, Linghui; Zhang, Chong; Xi, Jianjun; Zhuang, Rangxiao; Zhang, Jiankang","Self-[3+2] annulation reaction of pyridinium salts: synthesis of N-indolizine-substituted pyridine-2(1H)-ones","New Journal of Chemistry","2022","46","35","16651","16655","10.1039/D2NJ03232E","","","0.71073","MoKα","","0.0519","0.0388","","","0.091","0.099","","","","","","1.029","","","","has coordinates","278458","2022-10-07","01:11:05",""
"7061724","10.3893","0.0006","10.7399","0.0006","10.9483","0.0006","86.555","0.002","73.723","0.002","73.066","0.002","1121.49","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br Cl N2 O3 -","- C26 H18 Br Cl N2 O3 -","- C52 H36 Br2 Cl2 N4 O6 -","2","1","","Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo","Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives","New Journal of Chemistry","2022","46","36","17161","17166","10.1039/D2NJ03198A","","","0.71073","MoKα","","0.04","0.0304","","","0.068","0.0719","","","","","","1.033","","","","has coordinates","278447","2022-10-07","01:08:22",""
"7061725","13.7614","0.0008","28.2414","0.0016","7.8855","0.0005","90","","96.6362","0.0018","90","","3044.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O5 -","- C32 H28 N2 O5 -","- C128 H112 N8 O20 -","4","1","","Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo","Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives","New Journal of Chemistry","2022","46","36","17161","17166","10.1039/D2NJ03198A","","","0.71073","MoKα","","0.1412","0.0675","","","0.1753","0.1949","","","","","","1.03","","","","has coordinates","278447","2022-10-07","01:08:23",""
"7061726","6.0105","0.0011","9.8874","0.0019","25.527","0.005","81.715","0.006","86.122","0.006","81.301","0.006","1482.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C66 H64 N4 O14 -","2","1","","Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo","Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives","New Journal of Chemistry","2022","46","36","17161","17166","10.1039/D2NJ03198A","","","0.71073","MoKα","","0.1267","0.0551","","","0.1042","0.1278","","","","","","1.019","","","","has coordinates,has disorder","278447","2022-10-07","01:08:23",""
"7061727","7.9046","0.0004","24.3443","0.0012","13.5076","0.0008","90","","92.1513","0.0018","90","","2597.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl N2 O5 -","- C30 H23 Cl N2 O5 -","- C120 H92 Cl4 N8 O20 -","4","1","","Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo","Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives","New Journal of Chemistry","2022","46","36","17161","17166","10.1039/D2NJ03198A","","","0.71073","MoKα","","0.1225","0.0597","","","0.1254","0.1513","","","","","","1.023","","","","has coordinates","278447","2022-10-07","01:08:23",""
"7061728","6.2047","0.0006","13.6403","0.0012","15.2468","0.0014","70.7","0.003","78.711","0.003","86.565","0.003","1194.3","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C58 H48 N4 O10 -","2","1","","Zheng, Hui; Han, Ying; Xu, Feng-Shun; Sun, Jing; Yan, Chao-Guo","Selective synthesis of multifunctionalized cyclopent-3-ene-1-carboxamides and 2-oxabicyclo[2.2.1]heptane derivatives","New Journal of Chemistry","2022","46","36","17161","17166","10.1039/D2NJ03198A","","","0.71073","MoKα","","0.0606","0.0405","","","0.0923","0.1027","","","","","","1.018","","","","has coordinates","278447","2022-10-07","01:08:23",""
"7061729","15.2751","0.0013","15.2751","0.0013","13.9765","0.0012","90","","90","","90","","3261.1","0.5","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C32 H30 N6 O9 S2 -","- C32 H30 N6 O9 S2 -","- C128 H120 N24 O36 S8 -","4","0.5","","Saikia, B. Shriya; Borpatra, Paran J.; Rahman, Iftakur; Deb, Mohit L.; Baruah, Pranjal K.","Visible-light-promoted sulfenylation of 6-aminouracils under catalyst-free conditions","New Journal of Chemistry","2022","46","34","16523","16529","10.1039/D2NJ01941H","","","0.71073","MoKα","","0.0486","0.0407","","","0.1019","0.1134","","","","","","1.103","","","","has coordinates","277677","2022-09-06","10:13:59",""
"7061730","4.868","0.002","15.479","0.007","29.45","0.012","90","","90.832","0.009","90","","2218.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17.75 Mn N9 O6.375 -","- C15 H17 Mn N9 O6.375 -","- C60 H68 Mn4 N36 O25.5 -","4","1","","Yang, Jie; Hou, Tianjiao; Zhang, Shunlin; Zhu, Dunru","Syntheses, crystal structures and thermal decomposition studies of two novel Mn(ii)-MOFs with tetrazole-based carboxylic acids","New Journal of Chemistry","2022","46","32","15434","15442","10.1039/D2NJ02192G","","","0.71073","MoKα","","0.0933","0.0574","","","0.1477","0.1699","","","","","","1.071","","","","has coordinates,has disorder","277256","2022-08-16","00:19:40",""
"7061731","4.91","0.0018","12.571","0.005","16.324","0.006","90","","98.041","0.007","90","","997.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Mn N10 O4 -","- C18 H16 Mn N10 O4 -","- C36 H32 Mn2 N20 O8 -","2","0.5","","Yang, Jie; Hou, Tianjiao; Zhang, Shunlin; Zhu, Dunru","Syntheses, crystal structures and thermal decomposition studies of two novel Mn(ii)-MOFs with tetrazole-based carboxylic acids","New Journal of Chemistry","2022","46","32","15434","15442","10.1039/D2NJ02192G","","","0.71073","MoKα","","0.0648","0.0442","","","0.0893","0.0975","","","","","","1.006","","","","has coordinates,has disorder","277256","2022-08-16","00:19:41",""
"7061732","11.619","0.001","17.461","0.002","8.833","0.001","90","","107.463","0.005","90","","1709.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cu F6 N4 O6 -","- C30 H44 Cu F6 N4 O6 -","- C60 H88 Cu2 F12 N8 O12 -","2","0.5","","Almada, Stephanie; Maia, Luísa B.; Waerenborgh, João C.; Vieira, Bruno J. C.; Mira, Nuno P.; R. Silva, Elisabete; Cerqueira, Fátima; Pinto, Eugénia; Alves, Luis G.","Cyclam-based iron(iii) and copper(ii) complexes: synthesis, characterization and application as antifungal agents","New Journal of Chemistry","2022","46","35","16764","16770","10.1039/D2NJ03161B","","","0.71073","MoKα","","0.1234","0.092","","","0.2563","0.2787","","","","","","1.078","","","","has coordinates","278464","2022-10-07","01:14:01",""
"7061733","9.2146","0.0005","22.905","0.002","17.524","0.001","90","","90","","90","","3698.6","0.4","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H44 Cu F6 N4 O6 -","- C30 H44 Cu F6 N4 O6 -","- C120 H176 Cu4 F24 N16 O24 -","4","0.5","","Almada, Stephanie; Maia, Luísa B.; Waerenborgh, João C.; Vieira, Bruno J. C.; Mira, Nuno P.; R. Silva, Elisabete; Cerqueira, Fátima; Pinto, Eugénia; Alves, Luis G.","Cyclam-based iron(iii) and copper(ii) complexes: synthesis, characterization and application as antifungal agents","New Journal of Chemistry","2022","46","35","16764","16770","10.1039/D2NJ03161B","","","0.71073","MoKα","","0.1223","0.0833","","","0.2409","0.2659","","","","","","1.04","","","","has coordinates","278464","2022-10-07","01:14:04",""
"7061734","21.301","0.0005","5.21057","0.00012","13.062","0.0003","90","","98.392","0.002","90","","1434.23","0.06","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 O2 S8 -","- C27 H28 O2 S8 -","- C54 H56 O4 S16 -","2","0.5","","Afzali, Azedeh; Tabasi, Zahra A.; Zhang, Baiyu H.; Zhao, Yuming","Studies of a bola-type bis(dithiafulvene) molecular system: synthesis, crystal structure, and electrochemical properties","New Journal of Chemistry","2022","46","38","18133","18145","10.1039/D2NJ01796B","","x-ray","1.54184","CuKα","","0.0658","0.0631","","","0.1733","0.1752","","","","","","1.102","","","","has coordinates","278472","2022-10-07","01:16:27",""
"7061735","12.7578","0.0002","13.5031","0.0002","15.2145","0.0002","93.661","0.001","114.217","0.001","113.636","0.002","2106.48","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 O3 S4 -","- C22 H22 O3 S4 -","- C88 H88 O12 S16 -","4","2","","Afzali, Azedeh; Tabasi, Zahra A.; Zhang, Baiyu H.; Zhao, Yuming","Studies of a bola-type bis(dithiafulvene) molecular system: synthesis, crystal structure, and electrochemical properties","New Journal of Chemistry","2022","46","38","18133","18145","10.1039/D2NJ01796B","","x-ray","1.54184","CuKα","","0.0969","0.0769","","","0.238","0.2536","","","","","","1.033","","","","has coordinates","278472","2022-10-07","01:16:37",""
"7061736","11.8062","0.0004","13.506","0.0004","16.0411","0.0008","101.747","0.002","104.313","0.002","114.761","0.001","2109.01","0.15","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39.47 Cu N7 O9.74 -","- C48 H39.472 Cu N7 O9.736 -","- C96 H78.944 Cu2 N14 O19.472 -","2","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Revankar, Vidyanand K.; S., Naveen; Kumara, Karthik; Lokanath, N. K.; Butcher, Ray J.; Kumbar, Vijay; Bhat, Kishore","Copper(i) complexes with quinolone appended 1,8-naphthalimide conjugates: structural characterization, DNA and protein binding and cytotoxicity studies","New Journal of Chemistry","2022","46","35","16801","16812","10.1039/D2NJ02655D","","","0.71073","MoKα","","0.0711","0.0484","","","0.1368","0.1514","","","","","","1.022","","","","has coordinates,has disorder","278459","2022-10-07","01:11:22",""
"7061737","12.095","0.003","13.465","0.003","15.685","0.003","100.689","0.007","105.662","0.007","115.044","0.008","2092.7","0.8","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 Cl Cu N6 O6 -","- C48 H38 Cl Cu N6 O6 -","- C96 H76 Cl2 Cu2 N12 O12 -","2","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Revankar, Vidyanand K.; S., Naveen; Kumara, Karthik; Lokanath, N. K.; Butcher, Ray J.; Kumbar, Vijay; Bhat, Kishore","Copper(i) complexes with quinolone appended 1,8-naphthalimide conjugates: structural characterization, DNA and protein binding and cytotoxicity studies","New Journal of Chemistry","2022","46","35","16801","16812","10.1039/D2NJ02655D","","","0.71073","MoKα","","0.1286","0.0678","","","0.14","0.1619","","","","","","1.028","","","","has coordinates","278459","2022-10-07","01:11:25",""
"7061738","7.252","0.004","9.455","0.005","14.767","0.007","98.408","0.007","95.901","0.007","93.171","0.004","993.8","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 N6 O6 -","- C52 H42 N6 O6 -","- C52 H42 N6 O6 -","1","0.5","","Shaikh, Sabiha A.; Bhat, Satish S.; Revankar, Vidyanand K.; S., Naveen; Kumara, Karthik; Lokanath, N. K.; Butcher, Ray J.; Kumbar, Vijay; Bhat, Kishore","Copper(i) complexes with quinolone appended 1,8-naphthalimide conjugates: structural characterization, DNA and protein binding and cytotoxicity studies","New Journal of Chemistry","2022","46","35","16801","16812","10.1039/D2NJ02655D","","","0.71075","MoKα","","0.0622","0.0549","","","0.1523","0.1604","","","","","","1.039","","","","has coordinates","278459","2022-10-07","01:11:34",""
"7061739","14.118","0.005","23.545","0.005","14.614","0.004","90","","114.641","0.011","90","","4415","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Cl Cu N7 O9 -","- C51 H41 Cl Cu N7 O9 -","- C204 H164 Cl4 Cu4 N28 O36 -","4","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Revankar, Vidyanand K.; S., Naveen; Kumara, Karthik; Lokanath, N. K.; Butcher, Ray J.; Kumbar, Vijay; Bhat, Kishore","Copper(i) complexes with quinolone appended 1,8-naphthalimide conjugates: structural characterization, DNA and protein binding and cytotoxicity studies","New Journal of Chemistry","2022","46","35","16801","16812","10.1039/D2NJ02655D","","","0.71075","MoKα","","0.1065","0.0708","","","0.1616","0.1913","","","","","","1.062","","","","has coordinates","278459","2022-10-07","01:11:34",""
"7061740","11.5714","0.0004","13.0479","0.0004","25.9366","0.001","90","","90","","90","","3916","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl F3 N2 Rh -","- C21 H19 Cl F3 N2 Rh -","- C168 H152 Cl8 F24 N16 Rh8 -","8","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0768","0.0467","","","0.076","0.0859","","","","","","1.104","","","","has coordinates","278460","2022-10-07","01:11:47",""
"7061741","9.5306","0.0003","9.8767","0.0003","13.1284","0.0004","76.9172","0.001","78.3598","0.001","63.2074","0.0009","1067.39","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl F3 N2 Rh -","- C22 H21 Cl F3 N2 Rh -","- C44 H42 Cl2 F6 N4 Rh2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.035","0.0311","","","0.0723","0.0752","","","","","","1.095","","","","has coordinates","278460","2022-10-07","01:11:49",""
"7061742","11.4351","0.0004","12.7247","0.0004","14.7282","0.0005","84.057","0.001","80.878","0.001","70.575","0.001","1992.55","0.12","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Cl2 F2 N4 O Rh2 -","- C43 H45 Cl2 F2 N4 O Rh2 -","- C86 H90 Cl4 F4 N8 O2 Rh4 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0406","0.0349","","","0.0844","0.089","","","","","","1.131","","","","has coordinates,has disorder","278460","2022-10-07","01:11:58",""
"7061743","28.665","0.01","7.783","0.003","19.264","0.007","90","","119.439","0.008","90","","3743","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cl F N2 Rh -","- C21 H21 Cl F N2 Rh -","- C168 H168 Cl8 F8 N16 Rh8 -","8","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.057","0.0368","","","0.0637","0.07","","","","","","1.135","","","","has coordinates","278460","2022-10-07","01:12:01",""
"7061744","8.688","0.0006","10.0149","0.0008","12.1966","0.001","85.186","0.005","77.161","0.005","65.695","0.004","942.95","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl F N2 Rh -","- C21 H21 Cl F N2 Rh -","- C42 H42 Cl2 F2 N4 Rh2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0201","0.0193","","","0.048","0.0486","","","","","","1.074","","","","has coordinates","278460","2022-10-07","01:12:12",""
"7061745","11.4699","0.0004","12.917","0.0005","14.2006","0.0006","82.8863","0.0012","82.5363","0.0011","70.1362","0.0011","1954.79","0.13","149","2","149","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 Cl2 F4 N4 O Rh2 -","- C43 H44 Cl2 F4 N4 O Rh2 -","- C86 H88 Cl4 F8 N8 O2 Rh4 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0307","0.0269","","","0.0618","0.0643","","","","","","1.076","","","","has coordinates","278460","2022-10-07","01:12:15",""
"7061746","7.7909","0.0002","8.3058","0.0002","16.6081","0.0005","82.704","0.001","81.872","0.0011","79.7322","0.0009","1041.14","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl F3 N2 Rh -","- C22 H21 Cl F3 N2 Rh -","- C44 H42 Cl2 F6 N4 Rh2 -","2","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0628","0.0643","","","","","","1.122","","","","has coordinates,has disorder","278460","2022-10-07","01:12:24",""
"7061747","7.4459","0.0008","9.9843","0.0011","13.9187","0.0017","94.635","0.003","102.728","0.003","102.903","0.003","974.59","0.19","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl0 Cu2 N4 O20 -","- C32 H40 Cu2 N4 O20 -","- C32 H40 Cu2 N4 O20 -","1","0.5","","Baishya, Trishnajyoti; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Bhattacharyya, Manjit K.","Fumarato and phthalato bridged dinuclear metal–organic Cu(ii) and Mn(ii) compounds involving infinite fumarate–water assemblies and unusual structure-guiding H-bonded synthons: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","37","17817","17833","10.1039/D2NJ01860H","","","0.71073","MoKα","","0.1189","0.1006","","","0.2759","0.3011","","","","","","1.24","","","","has coordinates","278441","2022-10-07","01:05:24",""
"7061748","10.7061","0.0006","11.7741","0.0006","11.9924","0.0005","71.18","0.003","72.654","0.003","84.583","0.004","1365.8","0.12","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","1","0.5","","Baishya, Trishnajyoti; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Bhattacharyya, Manjit K.","Fumarato and phthalato bridged dinuclear metal–organic Cu(ii) and Mn(ii) compounds involving infinite fumarate–water assemblies and unusual structure-guiding H-bonded synthons: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","37","17817","17833","10.1039/D2NJ01860H","","","1.54178","CuKα","","0.0523","0.0417","","","0.0857","0.0908","","","","","","1.064","","","","has coordinates","278441","2022-10-07","01:05:24",""
"7061749","5.8212","0.0004","11.9073","0.0009","7.3664","0.0005","90","","112.794","0.001","90","","470.72","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl2 N4 O4 -","- C4 H8 Cl2 N4 O4 -","- C8 H16 Cl4 N8 O8 -","2","0.5","","Gribov, Pavel S.; Suponitsky, Kyrill Yu.; Sheremetev, Aleksei B.","Efficient synthesis of N-(chloromethyl)nitramines via TiCl4-catalyzed chlorodeacetoxylation","New Journal of Chemistry","2022","46","36","17548","17553","10.1039/D2NJ03521A","","","0.71073","MoKα","","0.0272","0.0248","","","0.0599","0.0615","","","","","","1.066","","","","has coordinates","278451","2022-10-07","01:09:17",""
"7061750","28.4221","0.0009","5.9548","0.0002","25.7279","0.0009","90","","90","","90","","4354.4","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H10 Cl2 N8 O8 -","- C5 H10 Cl2 N8 O8 -","- C60 H120 Cl24 N96 O96 -","12","1.5","","Gribov, Pavel S.; Suponitsky, Kyrill Yu.; Sheremetev, Aleksei B.","Efficient synthesis of N-(chloromethyl)nitramines via TiCl4-catalyzed chlorodeacetoxylation","New Journal of Chemistry","2022","46","36","17548","17553","10.1039/D2NJ03521A","","","0.71073","MoKα","","0.0721","0.0569","","","0.0973","0.1029","","","","","","1.192","","","","has coordinates","278451","2022-10-07","01:09:18",""
"7061751","15.7742","0.0011","13.2156","0.0009","9.446","0.0008","90","","105.288","0.002","90","","1899.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B2 F4 N4 Se -","- C18 H16 B2 F4 N4 Se -","- C72 H64 B8 F16 N16 Se4 -","4","1","","Shelar, Divyesh S.; Malankar, Gauri S.; M., Manikandan; Patra, Malay; Butcher, Ray J.; Manjare, Sudesh T.","Selective detection of hypochlorous acid in living cervical cancer cells with an organoselenium-based BOPPY probe","New Journal of Chemistry","2022","46","36","17610","17618","10.1039/D2NJ02956A","","","0.71073","MoKα","","0.0678","0.0501","","","0.1224","0.132","","","","","","1.042","","","","has coordinates","278452","2022-10-07","01:09:24",""
"7061752","14.8669","0.0006","22.8072","0.001","16.0694","0.0006","90","","116.675","0.001","90","","4868.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C91 H121 N13 Ni4 O32 -","- C91 H121 N13 Ni4 O32 -","- C182 H242 N26 Ni8 O64 -","2","1","","Mahish, Manas Kumar; Carrella, Luca M.; Patra, Apu; Saren, Dama; Zangrando, Ennio; Vojtíšek, Pavel; Rentschler, Eva; Manna, Subal Chandra","Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties","New Journal of Chemistry","2022","46","35","16899","16906","10.1039/D2NJ02467E","","","0.71073","MoKα","","0.0329","0.0295","","","0.0707","0.0727","","","","","","1.044","","","","has coordinates,has disorder","278468","2022-10-07","01:15:22",""
"7061753","18.1188","0.0008","24.6086","0.001","7.652","0.0004","90","","90","","90","","3411.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C58 H60 N6 Ni3 O16 -","- C58 H60 N6 Ni3 O16 -","- C116 H120 N12 Ni6 O32 -","2","0.5","","Mahish, Manas Kumar; Carrella, Luca M.; Patra, Apu; Saren, Dama; Zangrando, Ennio; Vojtíšek, Pavel; Rentschler, Eva; Manna, Subal Chandra","Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties","New Journal of Chemistry","2022","46","35","16899","16906","10.1039/D2NJ02467E","","","0.71073","MoKα","","0.0683","0.0516","","","0.1349","0.1432","","","","","","1.05","","","","has coordinates,has disorder","278468","2022-10-07","01:15:22",""
"7061754","16.2176","0.0004","17.026","0.0003","17.2151","0.0003","82.777","0.002","75.137","0.002","83.919","0.002","4544.47","0.17","213.99","0.11","213.99","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C184 H164 Co6 N66 O29 -","- C184 H164 Co6 N66 O29 -","- C184 H164 Co6 N66 O29 -","1","0.5","","Huang, You-Lin; Zhong, Yun-Jing; Ye, Hua-Jian; Li, You-Hong; Kuang, Xiao-Man; Ouyang, Zhi-Jian; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Slow magnetic relaxation and spin crossover behavior in two mixed-valence Co(ii)/Co(iii) complexes","New Journal of Chemistry","2022","46","37","17720","17725","10.1039/D2NJ03051A","","x-ray","1.54184","CuKα","","0.0973","0.0759","","","0.2015","0.2247","","","","","","1.05","","","","has coordinates,has disorder","278442","2022-10-07","01:05:39",""
"7061755","11.5395","0.0001","15.2192","0.0001","28.7586","0.0002","77.03","0.001","80.591","0.001","72.951","0.001","4679.56","0.07","373","0.3","373","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H84 Co3 N34 O13 -","- C74 H46 Co3 N30 O8 -","- C148 H92 Co6 N60 O16 -","2","1","","Huang, You-Lin; Zhong, Yun-Jing; Ye, Hua-Jian; Li, You-Hong; Kuang, Xiao-Man; Ouyang, Zhi-Jian; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Slow magnetic relaxation and spin crossover behavior in two mixed-valence Co(ii)/Co(iii) complexes","New Journal of Chemistry","2022","46","37","17720","17725","10.1039/D2NJ03051A","","","1.54184","CuKα","","0.0516","0.0469","","","0.1438","0.1479","","","","","","1.075","","","","has coordinates","278442","2022-10-07","01:05:39",""
"7061756","11.5085","0.0004","15.221","0.0009","28.579","0.0006","77.152","0.003","80.333","0.003","73.05","0.005","4640.2","0.4","297.99","0.18","298","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H84 Co3 N34 O13 -","- C74 H46 Co3 N30 O8 -","- C148 H92 Co6 N60 O16 -","2","1","","Huang, You-Lin; Zhong, Yun-Jing; Ye, Hua-Jian; Li, You-Hong; Kuang, Xiao-Man; Ouyang, Zhi-Jian; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Slow magnetic relaxation and spin crossover behavior in two mixed-valence Co(ii)/Co(iii) complexes","New Journal of Chemistry","2022","46","37","17720","17725","10.1039/D2NJ03051A","","","1.54184","CuKα","","0.0631","0.0534","","","0.1574","0.1656","","","","","","1.089","","","","has coordinates","278442","2022-10-07","01:05:39",""
"7061757","11.42884","0.00011","15.20373","0.0001","28.11736","0.00015","77.245","0.0005","80.0214","0.0006","73.2019","0.0007","4530.34","0.06","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H84 Co3 N34 O13 -","- C74 H46 Co3 N30 O8 -","- C148 H92 Co6 N60 O16 -","2","1","","Huang, You-Lin; Zhong, Yun-Jing; Ye, Hua-Jian; Li, You-Hong; Kuang, Xiao-Man; Ouyang, Zhi-Jian; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Slow magnetic relaxation and spin crossover behavior in two mixed-valence Co(ii)/Co(iii) complexes","New Journal of Chemistry","2022","46","37","17720","17725","10.1039/D2NJ03051A","","","1.54184","CuKα","","0.0504","0.0466","","","0.1293","0.132","","","","","","1.025","","","","has coordinates,has disorder","278442","2022-10-07","01:05:39",""
"7061758","12.6473","0.0011","12.3611","0.0009","13.858","0.0011","90","","107.269","0.003","90","","2068.8","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N O P -","- C25 H22 N O P -","- C100 H88 N4 O4 P4 -","4","1","","Wang, Jing; Li, Zenghui; You, Gaoqiang; Xu, Liang; Gao, Pin; Rao, Bin","Regioselective transformation of 3-phosphoryl benzyne intermediates to diverse phosphorus-substituted arenes","New Journal of Chemistry","2022","46","35","17049","17054","10.1039/D2NJ03638J","","","0.71073","MoKα","","0.1164","0.0556","","","0.1198","0.1489","","","","","","1.034","","","","has coordinates","278465","2022-10-07","01:14:26",""
"7061759","12.4427","0.0003","11.9566","0.0002","17.3148","0.0004","90","","109.966","0.001","90","","2421.14","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F3 O4 P S Si -","- C22 H22 F3 O4 P S Si -","- C88 H88 F12 O16 P4 S4 Si4 -","4","1","","Wang, Jing; Li, Zenghui; You, Gaoqiang; Xu, Liang; Gao, Pin; Rao, Bin","Regioselective transformation of 3-phosphoryl benzyne intermediates to diverse phosphorus-substituted arenes","New Journal of Chemistry","2022","46","35","17049","17054","10.1039/D2NJ03638J","","","0.71073","MoKα","","0.053","0.0412","","","0.1123","0.1169","","","","","","1.052","","","","has coordinates,has disorder","278465","2022-10-07","01:14:37",""
"7061760","16.2044","0.0005","28.6736","0.0009","21.3349","0.0007","90","","107.471","0.001","90","","9455.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H124 Br4 N20 O8 P4 -","- C84 H124 Br4 N20 O8 P4 -","- C336 H496 Br16 N80 O32 P16 -","4","1","","Wang, Jing; Li, Zenghui; You, Gaoqiang; Xu, Liang; Gao, Pin; Rao, Bin","Regioselective transformation of 3-phosphoryl benzyne intermediates to diverse phosphorus-substituted arenes","New Journal of Chemistry","2022","46","35","17049","17054","10.1039/D2NJ03638J","","","1.54178","CuKα","","0.0356","0.0308","","","0.0778","0.0802","","","","","","1.037","","","","has coordinates","278465","2022-10-07","01:14:40",""
"7061761","17.0019","0.0006","16.1026","0.0011","17.268","0.0008","90","","99.589","0.004","90","","4661.5","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 N7 O7 Ru Zn -","- C45 H28 N6 O6 Ru Zn -","- C180 H112 N24 O24 Ru4 Zn4 -","4","1","","Liu, Weixing; Duan, Wei; Zhang, Qiang; Gong, Xianjin; Tian, Jinlei","Novel bimetallic MOF derived N-doped carbon supported Ru nanoparticles for efficient reduction of nitro aromatic compounds and rhodamine B","New Journal of Chemistry","2022","46","35","17004","17015","10.1039/D2NJ03197C","","x-ray","0.71073","MoKα","","0.1531","0.097","","","0.1878","0.2081","","","","","","1.061","","","","has coordinates","278454","2022-10-07","01:10:04",""
"7061762","9.3204","0.0008","15.1349","0.0011","20.1462","0.0015","68.822","0.002","88.431","0.003","81.237","0.003","2617.8","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N4 O4 S -","- C25 H32 N4 O4 S -","- C100 H128 N16 O16 S4 -","4","2","","Chatterjee, Himadri Sekhar; Maity, Suvendu; Halder, Satyajit; Ghosh, Prasanta; Jana, Kuladip; Mahapatra, Pradip Kumar; Sinha, Chittaranjan","Biological activity of non-radical vs. stable radical of a pyridazine-sulfonamide aminophenol-type compound","New Journal of Chemistry","2022","46","37","17951","17957","10.1039/D2NJ03308A","","","0.71073","MoKα","","0.1082","0.0705","","","0.1333","0.1504","","","","","","1.088","","","","has coordinates,has disorder","278439","2022-10-07","01:05:03",""
"7061763","14.1642","0.0004","12.2765","0.0003","22.8841","0.0006","90","","107.356","0.001","90","","3798.07","0.17","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H37 Cu O2 P2 S -","- C44 H37 Cu O2 P2 S -","- C176 H148 Cu4 O8 P8 S4 -","4","1","","Kumar, Krishna; Tiwari, Priyanka; Kant, Rajni; Bhattacharya, Subrato","Synthesis and structural studies of Cu(i) methylthiosalicylate complexes and their catalytic application in thiol-yne click reaction","New Journal of Chemistry","2022","46","37","17854","17864","10.1039/D2NJ02722D","","","0.71073","MoKα","","0.0554","0.0327","","","0.0748","0.091","","","","","","1.055","","","","has coordinates","278438","2022-10-07","01:04:45",""
"7061764","11.521","0.007","19.574","0.011","16.525","0.008","90","","106.992","0.014","90","","3564","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cu Fe O2 P2 S -","- C42 H35 Cu Fe O2 P2 S -","- C168 H140 Cu4 Fe4 O8 P8 S4 -","4","1","","Kumar, Krishna; Tiwari, Priyanka; Kant, Rajni; Bhattacharya, Subrato","Synthesis and structural studies of Cu(i) methylthiosalicylate complexes and their catalytic application in thiol-yne click reaction","New Journal of Chemistry","2022","46","37","17854","17864","10.1039/D2NJ02722D","","","0.71073","MoKα","","0.1152","0.0761","","","0.1555","0.179","","","","","","1.038","","","","has coordinates","278438","2022-10-07","01:04:54",""
"7061765","21.0124","0.0011","23.775","0.0011","12.1359","0.0008","90","","90","","90","","6062.7","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C68 H62 Cu2 O4 P4 S2 -","- C68 H62 Cu2 O4 P4 S2 -","- C272 H248 Cu8 O16 P16 S8 -","4","0.5","","Kumar, Krishna; Tiwari, Priyanka; Kant, Rajni; Bhattacharya, Subrato","Synthesis and structural studies of Cu(i) methylthiosalicylate complexes and their catalytic application in thiol-yne click reaction","New Journal of Chemistry","2022","46","37","17854","17864","10.1039/D2NJ02722D","","","0.71073","MoKα","","0.0615","0.0408","","","0.0781","0.0886","","","","","","1.053","","","","has coordinates","278438","2022-10-07","01:04:57",""
"7061766","12.0095","0.0012","9.0931","0.0005","14.16","0.0011","90","","109.568","0.011","90","","1457","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N5 O S -","- C14 H10 Cl N5 O S -","- C56 H40 Cl4 N20 O4 S4 -","4","1","","Savateev, Konstantin V.; Fedotov, Victor V.; Slepukhin, Pavel A.; Ulomsky, Evgeniy N.; Rusinov, Vladimir L.","Regiospecific route to N9-alkylated thioxanthines","New Journal of Chemistry","2022","46","36","17145","17148","10.1039/D2NJ03002K","","x-ray","0.71073","MoKα","","0.1013","0.0611","","","0.1761","0.2286","","","","","","1.089","","","","has coordinates","278449","2022-10-07","01:08:59",""
"7061767","11.8823","0.0013","16.0031","0.0017","16.357","0.0015","90","","90","","90","","3110.3","0.6","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H34 N8 O4 S4 -","- C22 H34 N8 O4 S4 -","- C88 H136 N32 O16 S16 -","4","0.5","","Savateev, Konstantin V.; Fedotov, Victor V.; Slepukhin, Pavel A.; Ulomsky, Evgeniy N.; Rusinov, Vladimir L.","Regiospecific route to N9-alkylated thioxanthines","New Journal of Chemistry","2022","46","36","17145","17148","10.1039/D2NJ03002K","","x-ray","0.71073","MoKα","","0.2165","0.0889","","","0.2253","0.3188","","","","","","1.088","","","","has coordinates,has disorder","278449","2022-10-07","01:08:59",""
"7061768","13.4433","0.0009","27.1914","0.0016","16.9657","0.0014","90","","103.129","0.007","90","","6039.6","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N8 O4 S4 -","- C22 H34 N8 O4 S4 -","- C176 H272 N64 O32 S32 -","8","1","","Savateev, Konstantin V.; Fedotov, Victor V.; Slepukhin, Pavel A.; Ulomsky, Evgeniy N.; Rusinov, Vladimir L.","Regiospecific route to N9-alkylated thioxanthines","New Journal of Chemistry","2022","46","36","17145","17148","10.1039/D2NJ03002K","","x-ray","0.71073","MoKα","","0.171","0.0683","","","0.176","0.2487","","","","","","1.005","","","","has coordinates,has disorder","278449","2022-10-07","01:08:59",""
"7061769","11.4954","0.0007","20.8647","0.0013","13.5984","0.0009","90","","110.359","0.001","90","","3057.8","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H72 O26 -","- C68 H72 O26 -","- C136 H144 O52 -","2","1","","Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Tsunoda, Tetsuto; Kaku, Hiroto","Base-induced isomerization of red uroleuconaphins revisited: characterization and absolute stereochemistry of the yellow aphid pigments uroleuconaphins A2 and B2","New Journal of Chemistry","2022","46","34","16256","16259","10.1039/D2NJ02676G","","","0.71073","MoKα","","0.0475","0.0388","","","0.0915","0.0961","","","","","","1.025","","","","has coordinates","288178","2023-12-08","09:51:08",""
"7061770","14.2923","0.0008","10.059","0.0007","16.1597","0.0011","90","","99.143","0.002","90","","2293.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Cl4 Fe N4 O3 -","- C20 H21 Cl4 Fe N4 O3 -","- C80 H84 Cl16 Fe4 N16 O12 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","","0.71073","MoKα","","0.0398","0.0275","","","0.0601","0.0652","","","","","","1.048","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061771","7.4978","0.0011","11.2446","0.0015","27.19","0.003","90","","90","","90","","2292.4","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Fe N4 O2 S -","- C20 H21 Cl4 Fe N4 O2 S -","- C80 H84 Cl16 Fe4 N16 O8 S4 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","","0.71073","MoKα","","0.0477","0.0379","","","0.0795","0.0841","","","","","","1.036","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061772","10.9994","0.0016","8.9714","0.0014","22.698","0.003","90","","97.368","0.004","90","","2221.3","0.6","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl5 Fe N3 O2 -","- C19 H21 Cl5 Fe N3 O2 -","- C76 H84 Cl20 Fe4 N12 O8 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","","0.71073","MoKα","","0.0599","0.0439","","","0.0987","0.105","","","","","","1.101","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061773","14.316","0.002","9.9354","0.0017","16.168","0.003","90","","98.476","0.006","90","","2274.5","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl4 Fe N6 O2 -","- C19 H21 Cl4 Fe N6 O2 -","- C76 H84 Cl16 Fe4 N24 O8 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","","0.71073","MoKα","","0.0773","0.0441","","","0.0989","0.1175","","","","","","1.042","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061774","7.4706","0.0007","11.3083","0.0011","27.472","0.002","90","","90","","90","","2320.8","0.4","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Fe N4 O2 Se -","- C20 H21 Cl4 Fe N4 O2 Se -","- C80 H84 Cl16 Fe4 N16 O8 Se4 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","x-ray","0.71073","MoKα","K-L~3~","0.0769","0.0465","","","0.0901","0.0992","","","","","","1","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061775","9.07","0.06","15.98","0.11","12.33","0.09","90","","90","","90","","1787","2","293.15","","293.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","C8H7ClN3Ni0.5O0.5","","- C8 H7 Cl N3 Ni0.5 O0.5 -","- C8 H7 Cl N3 Ni0.5 O0.5 -","- C64 H56 Cl8 N24 Ni4 O4 -","8","1","","Paramanik, Krishnendu; Bandopadhyay, Nilaj; Debnath, Rakesh; Roy, Suvojit; Kotakonda, Muddukrishnaiah; Adak, Mrinal Kanti; Biswas, Bhaskar; Sankar Das, Hari","A hemilabile 2-(2′-pyridyl)-imidazole based nickel(ii) complex: proton-coupled-electron-transfer, bactericidal and cytotoxicity studies","New Journal of Chemistry","2022","46","36","17517","17526","10.1039/D2NJ03063B","","","0.71073","MoKα","","0.1349","0.053","","","0.1005","0.1255","","","","","","1.001","","","","has coordinates","278450","2022-10-07","01:09:07",""
"7061776","4.9574","0.0005","11.4656","0.0007","13.002","0.0008","107.096","0.006","100.136","0.007","93.672","0.006","690.06","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","","Li, Fengli; Huang, Zhangyan; Mo, Shuyuan; Gu, Saisai; Zhang, Sitian; Yang, Beiye; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Two undescribed pairs of isoprenyl hydroxybenzoic acid derivatives from coculture of Pestalotiopsis sp. and Penicillium bialowiezense: enantioseparation and their absolute configurations","New Journal of Chemistry","2022","46","36","17149","17152","10.1039/D2NJ03531F","","x-ray","1.54184","CuKα","","0.0754","0.0652","","","0.1827","0.1918","","","","","","1.054","","","","has coordinates,has disorder","278446","2022-10-07","01:08:03",""
"7061777","7.4419","0.0007","11.3693","0.0011","14.9985","0.0014","90","","93.505","0.007","90","","1266.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C60 H92 O8 -","2","1","","Sun, Haoyi; Zhao, Tingting; Liu, Lei; Mu, Xiaodong; Sun, Jingyong","Six new triterpenoids with anti-inflammatory activity from Gypsophila oldhamiana","New Journal of Chemistry","2022","46","37","17834","17840","10.1039/D2NJ02906E","","","1.54178","CuKα","","0.1795","0.1099","","","0.2523","0.3047","","","","","","1.002","","","","has coordinates","278436","2022-10-07","01:04:17",""
"7061778","6.123","0.0012","11.555","0.002","17.02","0.003","90","","100.03","0.03","90","","1185.8","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N2 O3 Si2 -","- C22 H32 N2 O3 Si2 -","- C44 H64 N4 O6 Si4 -","2","0.5","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.745","synchrotron","","0.1119","0.0721","","","0.1572","0.1772","","","","","","1.064","","","","has coordinates,has disorder","278445","2022-10-07","01:07:20",""
"7061779","17.612","0.002","10.8605","0.0014","9.0964","0.0012","90","","90.485","0.01","90","","1739.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 N O2 Si2 -","- C15 H23 N O2 Si2 -","- C60 H92 N4 O8 Si8 -","4","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.1295","0.0786","","","0.1485","0.1662","","","","","","1.085","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061780","9.8135","0.0017","13.78","0.003","18.422","0.004","90","","90","","90","","2491.2","0.9","140","","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O3 Si2 -","- C24 H32 N2 O3 Si2 -","- C96 H128 N8 O12 Si8 -","4","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.1907","0.1017","","","0.1821","0.2195","","","","","","1.028","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061781","27.3484","0.0009","9.8255","0.0004","8.9313","0.0004","90","","100.359","0.002","90","","2360.83","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 O5 Si2 -","- C24 H26 O5 Si2 -","- C96 H104 O20 Si8 -","4","0.5","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.0938","0.0516","","","0.1057","0.1195","","","","","","1.045","","","","has coordinates,has disorder","278445","2022-10-07","01:07:20",""
"7061782","13.6295","0.0008","14.8131","0.0008","17.2611","0.0009","90","","109.806","0.003","90","","3278.8","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 N3 O5 Si3 -","- C30 H43 N3 O5 Si3 -","- C120 H172 N12 O20 Si12 -","4","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.1534","0.1288","","","0.2798","0.2902","","","","","","1.217","","","","has coordinates,has disorder","278445","2022-10-07","01:07:20",""
"7061783","8.8577","0.0008","13.1585","0.001","18.2092","0.0015","89.871","0.003","76.174","0.003","72.851","0.003","1963.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O2 Si2 -","- C18 H25 N O2 Si2 -","- C72 H100 N4 O8 Si8 -","4","2","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.1435","0.0729","","","0.1361","0.1604","","","","","","0.995","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061784","12.4163","0.0003","13.6044","0.0003","14.8077","0.0003","104.238","0.001","108.816","0.001","106.864","0.001","2100.61","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Cu2 N4 O12 Si2 -","- C37 H46 Cu2 N4 O12 Si2 -","- C74 H92 Cu4 N8 O24 Si4 -","2","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.0739","0.0436","","","0.0928","0.1055","","","","","","1.016","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061785","12.2575","0.0003","7.9709","0.0002","28.4737","0.0007","90","","98.267","0.001","90","","2753.07","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O3 Si2 -","- C28 H30 N4 O3 Si2 -","- C112 H120 N16 O12 Si8 -","4","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.0658","0.0561","","","0.1362","0.1422","","","","","","1.089","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061786","12.8516","0.0008","12.8118","0.0007","36.527","0.002","90","","90.064","0.003","90","","6014.2","0.6","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H21 N O2 Si2 -","- C12 H21 N O2 Si2 -","- C192 H336 N16 O32 Si32 -","16","4","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","1.54178","CuKα","","0.1088","0.1072","","","0.2802","0.2825","","","","","","1.013","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061787","15.5512","0.0008","14.6926","0.0007","16.9036","0.0009","90","","90","","90","","3862.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H26 Cl3 N2 Ni P -","- C14 H26 Cl3 N2 Ni P -","- C112 H208 Cl24 N16 Ni8 P8 -","8","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0477","0.0354","","","0.0902","0.0998","","","","","","1.066","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061788","8.4135","0.0002","13.9973","0.0003","17.9874","0.0003","90","","92.077","0.001","90","","2116.92","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl3 Cu N2 O P -","- C16 H30 Cl3 Cu N2 O P -","- C64 H120 Cl12 Cu4 N8 O4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0839","0.0412","","","0.0844","0.0984","","","","","","1.015","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061789","13.3712","0.001","12.0474","0.0009","23.5918","0.0018","90","","104.837","0.004","90","","3673.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl2 N2 Ni P -","- C14 H25 Cl2 N2 Ni P -","- C112 H200 Cl16 N16 Ni8 P8 -","8","2","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0486","0.0316","","","0.0785","0.0869","","","","","","1.014","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061790","14.1431","0.0001","8.9812","0.0001","17.4366","0.0002","90","","101.168","0.001","90","","2172.89","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl3 Cu N2 O P -","- C14 H26 Cl3 Cu N2 O P -","- C56 H104 Cl12 Cu4 N8 O4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0644","0.0485","","","0.1361","0.1462","","","","","","1.034","","","","has coordinates,has disorder","279011","2022-11-07","05:39:54",""
"7061791","11.8979","0.0004","16.6511","0.0005","12.3939","0.0004","90","","94.159","0.002","90","","2448.93","0.14","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H41 Cl N O P -","- C23 H41 Cl N O P -","- C92 H164 Cl4 N4 O4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0446","0.0372","","","0.1012","0.1066","","","","","","1.042","","","","has coordinates,has disorder","279011","2022-11-07","05:39:54",""
"7061792","8.8054","0.0003","15.0567","0.0006","14.6029","0.0005","90","","99.846","0.002","90","","1907.54","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Cl2 N2 Ni P -","- C15 H27 Cl2 N2 Ni P -","- C60 H108 Cl8 N8 Ni4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0364","0.028","","","0.0731","0.0778","","","","","","1.026","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061793","8.349","0.0004","11.6402","0.0006","11.6734","0.0006","110.523","0.001","101.031","0.001","109.172","0.001","941.38","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H54 Cl4 Cu2 N4 O2 P2 -","- C30 H54 Cl4 Cu2 N4 O2 P2 -","- C30 H54 Cl4 Cu2 N4 O2 P2 -","1","0.5","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0221","0.0203","","","0.056","0.0567","","","","","","1.031","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061794","10.5503","0.0002","11.6343","0.0002","14.8131","0.0003","90","","90","","90","","1818.24","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl2 Co N2 P -","- C14 H25 Cl2 Co N2 P -","- C56 H100 Cl8 Co4 N8 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0301","0.0257","","","0.0679","0.0707","","","","","","1.051","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061795","8.8055","0.0002","15.0416","0.0003","14.6897","0.0003","90","","98.706","0.001","90","","1923.22","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Cl2 Co N2 P -","- C15 H27 Cl2 Co N2 P -","- C60 H108 Cl8 Co4 N8 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.033","0.027","","","0.0748","0.079","","","","","","1.037","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061796","12.3096","0.0002","12.3824","0.0002","13.0675","0.0002","77.124","0.001","84.499","0.001","88.569","0.001","1932.74","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H108 Ag4 B2 Cl2 F8 N8 P4 -","- C60 H108 Ag4 B2 Cl2 F8 N8 P4 -","- C60 H108 Ag4 B2 Cl2 F8 N8 P4 -","1","0.5","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0506","0.0302","","","0.0688","0.0765","","","","","","1.043","","","","has coordinates,has disorder","279011","2022-11-07","05:39:54",""
"7061797","9.67","0.004","24.423","0.009","8.68","0.003","90","","102.684","0.009","90","","1999.9","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15 H27 Cl2 Cu N2 O P -","- C15 H27 Cl2 Cu N2 O P -","- C60 H108 Cl8 Cu4 N8 O4 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0679","0.0398","","","0.0846","0.0949","","","","","","1.021","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061798","11.509","0.008","22.039","0.016","13.238","0.01","90","","106.946","0.019","90","","3212","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N2 O P -","- C14 H25 N2 O P -","- C112 H200 N16 O8 P8 -","8","2","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0784","0.0481","","","0.1298","0.1494","","","","","","1.035","","","","has coordinates,has disorder","279011","2022-11-07","05:39:54",""
"7061799","8.7299","0.0005","9.2355","0.0005","9.5254","0.0005","65.084","0.002","68.436","0.002","73.691","0.002","640.49","0.06","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N5 -","- C14 H15 N5 -","- C28 H30 N10 -","2","1","","Hu, Haoran; Jiang, Bitao; Zhang, Bo; Wang, Rong; Zhang, Chong; Sun, Chengguo; Hu, Bingcheng","Novel pyrazolyazoindole derivatives as photoswitches: design, synthesis, and photoswitching behavior research combined with theoretical methods","New Journal of Chemistry","2022","46","38","18316","18325","10.1039/D2NJ03526J","","","0.71073","MoKα","","0.0436","0.0401","","","0.1099","0.1127","","","","","","1.1","","","","has coordinates","278478","2022-10-07","01:18:36",""
"7061800","9.2845","0.0005","9.2942","0.0005","9.4489","0.0004","67.465","0.002","69.5","0.002","70.108","0.002","685.12","0.06","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C30 H34 N10 -","2","1","","Hu, Haoran; Jiang, Bitao; Zhang, Bo; Wang, Rong; Zhang, Chong; Sun, Chengguo; Hu, Bingcheng","Novel pyrazolyazoindole derivatives as photoswitches: design, synthesis, and photoswitching behavior research combined with theoretical methods","New Journal of Chemistry","2022","46","38","18316","18325","10.1039/D2NJ03526J","","","0.71073","MoKα","","0.0438","0.0404","","","0.1083","0.1112","","","","","","1.059","","","","has coordinates","278478","2022-10-07","01:18:48",""
"7061801","5.4109","0.0004","12.3109","0.0006","14.8982","0.0009","67.826","0.002","83.41","0.002","88.031","0.002","912.9","0.1","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N5 -","- C21 H21 N5 -","- C42 H42 N10 -","2","1","","Hu, Haoran; Jiang, Bitao; Zhang, Bo; Wang, Rong; Zhang, Chong; Sun, Chengguo; Hu, Bingcheng","Novel pyrazolyazoindole derivatives as photoswitches: design, synthesis, and photoswitching behavior research combined with theoretical methods","New Journal of Chemistry","2022","46","38","18316","18325","10.1039/D2NJ03526J","","","0.71073","MoKα","","0.0903","0.0533","","","0.1216","0.1498","","","","","","1.033","","","","has coordinates","278478","2022-10-07","01:19:01",""
"7061802","10.1599","0.0008","12.7943","0.0011","13.7766","0.0011","86.345","0.003","77.196","0.003","74.115","0.003","1679.6","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H16.5 Cu0.5 O P S0.5 -","- C20.5 H16.5 Cu0.5 O P S0.5 -","- C82 H66 Cu2 O4 P4 S2 -","4","2","","Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato","Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster","New Journal of Chemistry","2022","46","38","18471","18481","10.1039/D2NJ03433F","","","0.71073","MoKα","","0.0558","0.044","","","0.0917","0.0966","","","","","","1.096","","","","has coordinates","278477","2022-10-07","01:18:20",""
"7061803","9.7869","0.0008","13.8449","0.001","19.71","0.0016","94.877","0.002","96.169","0.002","98.945","0.002","2608.8","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H49 Cu2 O2 P3 S2 -","- C59 H48 Cl Cu2 O2 P3 S -","- C118 H96 Cl2 Cu4 O4 P6 S2 -","2","1","","Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato","Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster","New Journal of Chemistry","2022","46","38","18471","18481","10.1039/D2NJ03433F","","","0.71073","MoKα","","0.0563","0.039","","","0.0912","0.1033","","","","","","1.105","","","","has coordinates,has disorder","278477","2022-10-07","01:18:21",""
"7061804","9.398","0.002","12","0.003","16.965","0.005","75.782","0.012","76.765","0.01","86.006","0.009","1805.2","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H34 Cu Fe N O2 P2 S -","- C41 H34 Cu Fe N O2 P2 S -","- C82 H68 Cu2 Fe2 N2 O4 P4 S2 -","2","1","","Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato","Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster","New Journal of Chemistry","2022","46","38","18471","18481","10.1039/D2NJ03433F","","","0.71073","MoKα","","0.068","0.0505","","","0.0954","0.1037","","","","","","1.138","","","","has coordinates,has disorder","278477","2022-10-07","01:18:21",""
"7061805","24.6525","0.0009","10.3327","0.0003","22.7374","0.0008","90","","114.882","0.002","90","","5254.2","0.3","273.15","","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Cu2 O4 P4 S2 -","- C62 H50 Cu2 O4 P4 S2 -","- C248 H200 Cu8 O16 P16 S8 -","4","0.5","","Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato","Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster","New Journal of Chemistry","2022","46","38","18471","18481","10.1039/D2NJ03433F","","","0.71073","MoKα","","0.0627","0.0412","","","0.0947","0.1027","","","","","","1.035","","","","has coordinates","278477","2022-10-07","01:18:21",""
"7061806","36.355","0.003","10.0557","0.0009","24.884","0.002","90","","131.963","0.002","90","","6764.3","1","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 Cu O2.5 P2 S -","- C41 H34 Cu O2.5 P2 S -","- C328 H272 Cu8 O20 P16 S8 -","8","1","","Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato","Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster","New Journal of Chemistry","2022","46","38","18471","18481","10.1039/D2NJ03433F","","","0.71073","MoKα","","0.0559","0.0373","","","0.0752","0.0886","","","","","","1.099","","","","has coordinates,has disorder","278477","2022-10-07","01:18:21",""
"7061807","12.3188","0.0015","10.418","0.0008","27.072","0.002","90","","91.832","0.009","90","","3472.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N3 O24 Y -","- C20 H30 N3 O24 Y -","- C80 H120 N12 O96 Y4 -","4","1","","Xiang, Lin; Luo, Wang; Yue, Zhi-Yuan; Huang, Yi-Fang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A new crown-ether clathrate [15-crown-5][Y(NO3)2(H2O)5][NO3] with switchable dielectric constant behaviour","New Journal of Chemistry","2022","46","38","18512","18517","10.1039/D2NJ03493J","","","0.71073","MoKα","","0.2026","0.1594","","","0.4019","0.4207","","","","","","1.056","","","","has coordinates,has disorder","278474","2022-10-07","01:17:06",""
"7061808","12.4154","0.0014","10.499","0.0009","27.242","0.003","90","","91.184","0.011","90","","3550.2","0.6","300","2","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 N3 O24 Y -","- C20 H10 N3 O24 Y -","- C80 H40 N12 O96 Y4 -","4","1","","Xiang, Lin; Luo, Wang; Yue, Zhi-Yuan; Huang, Yi-Fang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A new crown-ether clathrate [15-crown-5][Y(NO3)2(H2O)5][NO3] with switchable dielectric constant behaviour","New Journal of Chemistry","2022","46","38","18512","18517","10.1039/D2NJ03493J","","","0.71073","MoKα","","0.2742","0.2131","","","0.5349","0.5516","","","","","","1.887","","","","has coordinates,has disorder","278474","2022-10-07","01:17:06",""
"7061809","28.293","0.003","6.7462","0.0008","11.0709","0.0012","90","","106.737","0.004","90","","2023.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0419","0.0387","","","0.1007","0.1036","","","","","","1.025","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061810","28.394","0.003","6.7333","0.0008","11.1211","0.0012","90","","106.624","0.004","90","","2037.3","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0454","0.0398","","","0.1005","0.1057","","","","","","1.033","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061811","28.507","0.004","6.7177","0.0008","11.1775","0.0013","90","","106.525","0.004","90","","2052.1","0.4","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0506","0.0424","","","0.1081","0.1142","","","","","","1.068","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061812","28.341","0.003","6.7394","0.0008","11.0937","0.0012","90","","106.681","0.004","90","","2029.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0436","0.0393","","","0.1007","0.1044","","","","","","1.038","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061813","28.67","0.005","6.6867","0.0011","11.2601","0.0018","90","","106.366","0.006","90","","2071.2","0.6","450","2","450","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0637","0.0453","","","0.1132","0.1253","","","","","","1.037","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061814","28.446","0.003","6.7253","0.0008","11.1474","0.0012","90","","106.568","0.004","90","","2044","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0479","0.0415","","","0.1057","0.1109","","","","","","1.043","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061815","28.74","0.005","6.681","0.0012","11.2925","0.0019","90","","106.308","0.006","90","","2081.1","0.6","500","2","500","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0704","0.047","","","0.1192","0.1342","","","","","","1.034","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061816","28.556","0.003","6.7097","0.0008","11.2036","0.0013","90","","106.45","0.004","90","","2058.8","0.4","350","2","350","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0539","0.0432","","","0.104","0.1116","","","","","","1.037","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061817","6.6714","0.0007","18.245","0.002","10.1498","0.0013","90","","108.052","0.004","90","","1174.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0626","0.056","","","0.1408","0.147","","","","","","1.04","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061818","6.6319","0.0008","18.452","0.002","10.2411","0.0014","90","","106.93","0.005","90","","1198.9","0.3","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0596","0.0475","","","0.1164","0.1254","","","","","","1.029","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061819","6.5718","0.0009","18.708","0.003","10.3308","0.0017","90","","105.47","0.005","90","","1224.1","0.3","396","2","396","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.089","0.0567","","","0.1369","0.1571","","","","","","1.026","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061820","28.607","0.003","6.7015","0.0008","11.232","0.0013","90","","106.38","0.004","90","","2065.9","0.4","400","2","400","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0584","0.0475","","","0.1155","0.1255","","","","","","1.077","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061821","6.5953","0.0009","18.631","0.003","10.3065","0.0017","90","","105.967","0.005","90","","1217.6","0.3","350","2","350","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0651","0.0503","","","0.1237","0.1348","","","","","","1.048","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061822","6.648","0.0007","18.373","0.002","10.2097","0.0013","90","","107.337","0.004","90","","1190.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.054","0.0447","","","0.1119","0.1196","","","","","","1.065","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061823","6.6119","0.0017","18.529","0.005","10.282","0.003","90","","106.49","0.01","90","","1207.9","0.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0688","0.0504","","","0.1252","0.1381","","","","","","1.047","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061824","6.6622","0.0007","18.301","0.002","10.1785","0.0012","90","","107.716","0.004","90","","1182.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.0505","0.0433","","","0.107","0.1127","","","","","","1.031","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061825","6.5537","0.0009","18.802","0.003","10.3681","0.0018","90","","104.937","0.006","90","","1234.4","0.3","450","2","450","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Kumar, Sunil; Priyasha,; Das, Dinabandhu","Molecular tiltation and supramolecular interactions induced uniaxial NTE and biaxial PTE in bis-imidazole-based co-crystals","New Journal of Chemistry","2022","46","38","18465","18470","10.1039/D2NJ03717C","","","0.71073","MoKα","","0.1036","0.0606","","","0.1423","0.1677","","","","","","1.033","","","","has coordinates","278470","2022-10-07","01:16:03",""
"7061826","12.5542","0.0007","18.0783","0.001","15.5861","0.0009","90","","97.757","0.002","90","","3505","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl2 Dy N6 O13 Zn -","- C30 H27 Cl2 Dy N6 O13 Zn -","- C120 H108 Cl8 Dy4 N24 O52 Zn4 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch.","Influence of bridging and chelating co-ligands on the distinct single-molecule magnetic behaviours in ZnDy complexes","New Journal of Chemistry","2022","46","39","18751","18763","10.1039/D2NJ03793A","","","0.71073","MoKα","","0.034","0.0279","","","0.0617","0.0673","","","","","","1.141","","","","has coordinates,has disorder","279016","2022-11-07","05:41:57",""
"7061827","13.183","0.004","14.076","0.004","15.695","0.006","90","","95.718","0.014","90","","2897.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Dy N3 O11 Zn -","- C28 H28 Dy N3 O11 Zn -","- C112 H112 Dy4 N12 O44 Zn4 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch.","Influence of bridging and chelating co-ligands on the distinct single-molecule magnetic behaviours in ZnDy complexes","New Journal of Chemistry","2022","46","39","18751","18763","10.1039/D2NJ03793A","","","0.71073","MoKα","","0.0278","0.0212","","","0.0483","0.0536","","","","","","1.091","","","","has coordinates","279016","2022-11-07","05:41:57",""
"7061828","22.205","0.002","10.8751","0.0011","27.261","0.003","90","","91.454","0.004","90","","6580.9","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Dy N2 O13 Zn -","- C30 H35 Dy N2 O13 Zn -","- C240 H280 Dy8 N16 O104 Zn8 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch.","Influence of bridging and chelating co-ligands on the distinct single-molecule magnetic behaviours in ZnDy complexes","New Journal of Chemistry","2022","46","39","18751","18763","10.1039/D2NJ03793A","","","0.71073","MoKα","","0.0186","0.0163","","","0.0404","0.0416","","","","","","1.079","","","","has coordinates,has disorder","279016","2022-11-07","05:41:57",""
"7061829","15.6478","0.0012","22.9141","0.0016","22.493","0.0018","90","","101.537","0.003","90","","7902","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H95 Dy2 N4 O21.5 Zn2 -","- C75 H94.5 Dy2 N4 O21.5 Zn2 -","- C300 H378 Dy8 N16 O86 Zn8 -","4","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch.","Influence of bridging and chelating co-ligands on the distinct single-molecule magnetic behaviours in ZnDy complexes","New Journal of Chemistry","2022","46","39","18751","18763","10.1039/D2NJ03793A","","","0.71073","MoKα","","0.1195","0.0769","","","0.1739","0.2062","","","","","","1.101","","","","has coordinates,has disorder","279016","2022-11-07","05:41:57",""
"7061830","16.74","0.0005","6.7213","0.0003","30.0962","0.001","90","","91.056","0.003","90","","3385.7","0.2","179.96","0.1","179.96","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 N4 O -","- C46 H32 N4 O -","- C184 H128 N16 O4 -","4","1","","Wang, XinYe; Li, YiXiang; Wu, Yuan; Qin, Ke; Xu, DeFei; Wang, DongDong; Ma, HuiLi; Ning, ShuYa; Wu, ZhaoXin","A 2-phenylfuro[2,3-b]quinoxaline-triphenylamine-based emitter: photophysical properties and application in TADF-sensitized fluorescence OLEDs","New Journal of Chemistry","2022","46","39","18854","18864","10.1039/D2NJ03508A","","x-ray","0.71073","MoKα","","0.0561","0.041","","","0.0995","0.106","","","","","","1.059","","","","has coordinates","279017","2022-11-07","05:42:14",""
"7061831","8.7387","0.0005","9.5225","0.0005","29.722","0.0016","90","","90","","90","","2473.3","0.2","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H23 N3 O -","- C34 H23 N3 O -","- C136 H92 N12 O4 -","4","1","","Wang, XinYe; Li, YiXiang; Wu, Yuan; Qin, Ke; Xu, DeFei; Wang, DongDong; Ma, HuiLi; Ning, ShuYa; Wu, ZhaoXin","A 2-phenylfuro[2,3-b]quinoxaline-triphenylamine-based emitter: photophysical properties and application in TADF-sensitized fluorescence OLEDs","New Journal of Chemistry","2022","46","39","18854","18864","10.1039/D2NJ03508A","","x-ray","0.71073","MoKα","","0.0712","0.0446","","","0.0799","0.0865","","","","","","1.01","","","","has coordinates","279017","2022-11-07","05:42:14",""
"7061832","6.945","0.0007","11.0309","0.001","12.2212","0.0012","92.607","0.003","105.097","0.003","90.21","0.003","902.9","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl N O3 Pd -","- C18 H14 Cl N O3 Pd -","- C36 H28 Cl2 N2 O6 Pd2 -","2","1","","Naskar, Rahul; Gharami, Saswati; Mandal, Subrata; Mondal, Tapan Kumar","A new chromone-based fluorescent probe for ratiometric detection of Pd2+","New Journal of Chemistry","2022","46","37","17912","17917","10.1039/D2NJ02310E","","","0.71073","MoKα","","0.0876","0.0553","","","0.1065","0.1148","","","","","","1.06","","","","has coordinates","278440","2022-10-07","01:05:17",""
"7061833","8.847","0.003","12.275","0.004","13.189","0.004","62.387","0.007","72.388","0.009","73.176","0.008","1190.6","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N10 O9 S3 -","- C48 H48 N10 O9 S3 -","- C48 H48 N10 O9 S3 -","1","0.5","","Katsyuba, Sergey A.; Mustakimova, Liliya V.; Gerasimova, Tatiana P.; Burganov, Timur I.; Sirazieva, Aisylu R.; Voronina, Julia K.; Shamsutdinova, Leisan R.; Rizvanov, Il’dar Kh.; Mamedov, Vakhid A.","Synthesis and computationally assisted spectroscopic study of tautomerism in 3-(phenyl(2-arylhydrazineylidene)methyl)quinoxalin-2(1H)-ones","New Journal of Chemistry","2022","46","37","17889","17902","10.1039/D2NJ03499A","","","0.71073","MoKα","","0.0903","0.0629","","","0.1528","0.174","","","","","","1.044","","","","has coordinates,has disorder","278437","2022-10-07","01:04:33",""
"7061834","12.5593","0.0009","13.8159","0.0009","14.453","0.0009","73.092","0.002","68.53","0.002","63.003","0.002","2055.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H38 B Cu F4 N4 P2 -","- C47 H38 B Cu F4 N4 P2 -","- C94 H76 B2 Cu2 F8 N8 P4 -","2","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0287","0.0268","","","0.0656","0.0667","","","","","","1.041","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061835","11.5371","0.0007","13.8789","0.0007","14.6175","0.0008","76.379","0.002","75.218","0.002","80.553","0.002","2185.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 B Cu F4 N5 P2 -","- C46 H37 B Cu F4 N5 P2 -","- C92 H74 B2 Cu2 F8 N10 P4 -","2","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0498","0.0443","","","0.1164","0.1199","","","","","","1.058","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061836","14.713","0.0012","23.4115","0.0016","14.0533","0.0012","90","","106.376","0.003","90","","4644.3","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 B Cu F4 N6 O3 P2 -","- C49 H42 B Cu F4 N6 O3 P2 -","- C196 H168 B4 Cu4 F16 N24 O12 P8 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.1132","0.1067","","","0.2984","0.3056","","","","","","1.046","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061837","11.3664","0.0005","12.6813","0.0006","20.9098","0.001","96.034","0.002","105.307","0.002","106.96","0.002","2725.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H52 B Cu F4 N6 O4 P2 -","- C61 H52 B Cu F4 N6 O4 P2 -","- C122 H104 B2 Cu2 F8 N12 O8 P4 -","2","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0333","0.0298","","","0.0741","0.0761","","","","","","1.027","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061838","10.1027","0.0006","12.86","0.0009","13.8962","0.001","95.446","0.003","100.595","0.002","93.419","0.002","1761.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H52 B Cu F4 N6 O2 P2 -","- C29 H52 B Cu F4 N6 O2 P2 -","- C58 H104 B2 Cu2 F8 N12 O4 P4 -","2","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0318","0.0291","","","0.0755","0.0771","","","","","","1.017","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061839","14.3117","0.0009","10.6121","0.0006","15.8829","0.001","90","","113.323","0.002","90","","2215.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N6 O2 -","- C11 H10 N6 O2 -","- C88 H80 N48 O16 -","8","2","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0409","0.0348","","","0.0935","0.0978","","","","","","1.044","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061840","12.8974","0.0008","13.1088","0.0008","13.3025","0.0007","111.144","0.002","99.259","0.002","109.024","0.002","1881.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H62 B2 Cu2 F8 N10 P4 -","- C72 H62 B2 Cu2 F8 N10 P4 -","- C72 H62 B2 Cu2 F8 N10 P4 -","1","0.5","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0962","0.0858","","","0.2467","0.2572","","","","","","1.043","","","","has coordinates,has disorder","279010","2022-11-07","05:39:34",""
"7061841","6.7497","0.0007","10.5961","0.001","12.9511","0.0013","74.696","0.004","82.773","0.004","81.119","0.004","879.19","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N6 O2 -","- C21 H14 N6 O2 -","- C42 H28 N12 O4 -","2","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0997","0.0882","","","0.2144","0.2223","","","","","","1.19","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061842","13.5696","0.0006","15.0666","0.0007","16.2774","0.0008","90","","90","","90","","3327.9","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 B Cu F4 N5 P2 -","- C28 H49 B Cu F4 N5 P2 -","- C112 H196 B4 Cu4 F16 N20 P8 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0543","0.0535","","","0.1396","0.1402","","","","","","1.09","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061843","29.571","0.0014","22.0467","0.0009","25.9445","0.001","90","","91.716","0.002","90","","16906.7","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 B Cu F4 N4 O P2 -","- C47 H36 B Cu F4 N4 O P2 -","- C752 H576 B16 Cu16 F64 N64 O16 P32 -","16","2","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0578","0.0415","","","0.102","0.112","","","","","","1.021","","","","has coordinates,has disorder","279010","2022-11-07","05:39:34",""
"7061844","7.2029","0.0003","12.1616","0.0005","18.3542","0.0007","90","","90","","90","","1607.81","0.11","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 I N2 -","- C8 H17 B10 I N2 -","- C32 H68 B40 I4 N8 -","4","1","","Rys, Evgeny G.; Alpatova, Victoria M.; Kononova, Elena G.; Smol’yakov, Alexander F.; Moiseev, Sergey K.; Ol'shevskaya, Valentina A.","Employment of Michael addition reactions for the functionalization of carboranes","New Journal of Chemistry","2022","46","37","18025","18032","10.1039/D2NJ03509J","","","0.71073","MoKα","","0.0185","0.0154","","","0.0244","0.0246","","","","","","1.0278","","","","has coordinates","278443","2022-10-07","01:06:13",""
"7061845","7.059","0.0008","10.7334","0.0012","12.9369","0.0014","110.989","0.005","95.275","0.006","92.201","0.006","908.59","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 B10 N3 S -","- C11 H21 B10 N3 S -","- C22 H42 B20 N6 S2 -","2","1","","Rys, Evgeny G.; Alpatova, Victoria M.; Kononova, Elena G.; Smol’yakov, Alexander F.; Moiseev, Sergey K.; Ol'shevskaya, Valentina A.","Employment of Michael addition reactions for the functionalization of carboranes","New Journal of Chemistry","2022","46","37","18025","18032","10.1039/D2NJ03509J","","","0.71073","MoKα","","0.0782","0.0396","","","0.0652","0.0732","","","","","","1.0042","","","","has coordinates","278443","2022-10-07","01:06:23",""
"7061846","7.4064","0.0001","11.1792","0.0002","12.0917","0.0002","62.736","0.001","85.701","0.001","86.13","0.001","886.82","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H23 B10 N O5 -","- C10 H23 B10 N O5 -","- C20 H46 B20 N2 O10 -","2","1","","Rys, Evgeny G.; Alpatova, Victoria M.; Kononova, Elena G.; Smol’yakov, Alexander F.; Moiseev, Sergey K.; Ol'shevskaya, Valentina A.","Employment of Michael addition reactions for the functionalization of carboranes","New Journal of Chemistry","2022","46","37","18025","18032","10.1039/D2NJ03509J","","","0.71073","MoKα","","0.0214","0.0205","","","0.0491","0.0496","","","","","","1.1211","","","","has coordinates,has disorder","278443","2022-10-07","01:06:23",""
"7061847","6.6555","0.0008","8.5691","0.0018","16.085","0.002","90","","98.12","0.013","90","","908.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis(2,5-diiodopyridine)dibromocopper(II)","","- C10 H6 Br2 Cu I4 N2 -","- C10 H6 Br2 Cu I4 N2 -","- C20 H12 Br4 Cu2 I8 N4 -","2","0.5","","Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H.","Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies","New Journal of Chemistry","2022","46","39","19024","19035","10.1039/D2NJ03373A","","","0.71073","MoKα","","0.0687","0.0468","","","0.0843","0.1023","","","","","","1.017","","","","has coordinates","279015","2022-11-07","05:41:20",""
"7061848","8.7666","0.0004","13.2248","0.0005","14.7942","0.0005","90","","91.012","0.003","90","","1714.92","0.12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-dichloro-bis(2,5-iodopyridine)copper(II)","","- C10 H6 Cl2 Cu I4 N2 -","- C10 H6 Cl2 Cu I4 N2 -","- C40 H24 Cl8 Cu4 I16 N8 -","4","0.5","","Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H.","Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies","New Journal of Chemistry","2022","46","39","19024","19035","10.1039/D2NJ03373A","","","0.71073","MoKα","","0.0367","0.029","","","0.0583","0.0618","","","","","","1.04","","","","has coordinates","279015","2022-11-07","05:41:23",""
"7061849","6.6977","0.0004","8.5845","0.0006","8.6691","0.0011","71.645","0.01","74.675","0.009","89.946","0.006","454.41","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Br2 Cu I4 N2 -","- C10 H6 Br2 Cu I4 N2 -","- C10 H6 Br2 Cu I4 N2 -","1","0.5","","Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H.","Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies","New Journal of Chemistry","2022","46","39","19024","19035","10.1039/D2NJ03373A","","","0.71073","MoKα","","0.0631","0.049","","","0.1216","0.1299","","","","","","1.137","","","","has coordinates","279015","2022-11-07","05:41:33",""
"7061850","6.679","0.004","8.508","0.007","8.869","0.006","70.54","0.07","72.42","0.06","88.46","0.06","451.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(2,5-diiodopyridine)dichlorocopper(II)","","- C10 H6 Cl2 Cu I4 N2 -","- C10 H6 Cl2 Cu I4 N2 -","- C10 H6 Cl2 Cu I4 N2 -","1","0.5","","Alwahsh, Manal I.; Awwadi, Firas F.; Kailani, Mohammed H.","Polymorphism and isomorphism in trans-bis(2,5-diiodopyridine)dihalocopper(ii) complexes: theoretical and crystallographic studies","New Journal of Chemistry","2022","46","39","19024","19035","10.1039/D2NJ03373A","","","0.71073","MoKα","","0.0541","0.0376","","","0.0654","0.0776","","","","","","1.021","","","","has coordinates","279015","2022-11-07","05:41:36",""
"7061851","10.1306","0.0009","13.3142","0.0012","14.1644","0.0014","98.053","0.002","109.008","0.003","101.939","0.002","1722.2","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","complex1","","","- C72 H62 Cl2 Mn4 N8 O20 S2 Se2 -","- C72 H62 Cl2 Mn4 N8 O20 S2 Se2 -","- C72 H62 Cl2 Mn4 N8 O20 S2 Se2 -","1","0.5","","Zhang, Shao-Liang; Yue, Cai-Ran; Dong, Yi-Nuo; Liu, Xiao-Na; Wang, Yan-Lan; Li, Shan-Shan","A single chain magnet based on a 1D polymeric selenite-bridged Mn(iii) complex with an N2O2 donor","New Journal of Chemistry","2022","46","39","19018","19023","10.1039/D2NJ04040A","","","0.71073","MoKα","","0.212","0.1104","","","0.2442","0.2756","","","","","","0.992","","","","has coordinates","279007","2022-11-07","05:38:40",""
"7061852","12.51","0.0002","14.7339","0.0003","12.876","0.0003","90","","108.979","0.001","90","","2244.3","0.08","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H28 Cl2 N2 Ru S -","- C21 H28 Cl2 N2 Ru S -","- C84 H112 Cl8 N8 Ru4 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0646","0.0429","","","0.0878","0.0955","","","","","","0.999","","","","has coordinates","279025","2022-11-07","05:46:10",""
"7061853","8.6547","0.0006","21.2189","0.0015","12.3191","0.001","90","","99.337","0.004","90","","2232.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl2 N2 Rh S -","- C21 H29 Cl2 N2 Rh S -","- C84 H116 Cl8 N8 Rh4 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0411","0.0369","","","0.0799","0.0834","","","","","","1.034","","","","has coordinates,has disorder","279025","2022-11-07","05:46:19",""
"7061854","8.6022","0.0009","11.3914","0.001","26.1587","0.0018","90","","90","","90","","2563.3","0.4","294","2","294","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H29 Cl4 Ir N2 O S -","- C21 H29 Cl4 Ir N2 O S -","- C84 H116 Cl16 Ir4 N8 O4 S4 -","4","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.057","0.0511","","","0.114","0.1175","","","","","","1.086","","","","has coordinates,has disorder","279025","2022-11-07","05:46:22",""
"7061855","13.37","0.0007","14.7014","0.0007","12.4251","0.0006","90","","114.256","0.006","90","","2226.6","0.2","297.04","0.14","297.04","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl2 N2 O Ru S -","- C20 H26 Cl2 N2 O Ru S -","- C80 H104 Cl8 N8 O4 Ru4 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0392","0.0318","","","0.0688","0.072","","","","","","1.087","","","","has coordinates","279025","2022-11-07","05:46:31",""
"7061856","6.3809","0.0003","15.1058","0.0006","23.3279","0.001","90","","91.467","0.002","90","","2247.81","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl2 N2 O Ru S2 -","- C20 H28 Cl2 N2 O Ru S2 -","- C80 H112 Cl8 N8 O4 Ru4 S8 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0229","0.021","","","0.0487","0.0496","","","","","","1.072","","","","has coordinates","279025","2022-11-07","05:46:42",""
"7061857","8.5828","0.0007","11.3841","0.0016","26.096","0.002","90","","90","","90","","2549.8","0.5","291","2","291","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H29 Cl4 N2 O Rh S -","- C21 H29 Cl4 N2 O Rh S -","- C84 H116 Cl16 N8 O4 Rh4 S4 -","4","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0705","0.0487","","","0.0951","0.1068","","","","","","1.076","","","","has coordinates,has disorder","279025","2022-11-07","05:46:53",""
"7061858","11.1857","0.0012","26.677","0.003","8.4915","0.0008","90","","90.582","0.006","90","","2533.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl4 N2 Rh S2 -","- C21 H29 Cl4 N2 Rh S2 -","- C84 H116 Cl16 N8 Rh4 S8 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0766","0.0715","","","0.2014","0.2094","","","","","","1.135","","","","has coordinates,has disorder","279025","2022-11-07","05:47:04",""
"7061859","11.1464","0.001","26.663","0.002","8.4706","0.0008","90","","90.4","0.005","90","","2517.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl4 Ir N2 S2 -","- C21 H29 Cl4 Ir N2 S2 -","- C84 H116 Cl16 Ir4 N8 S8 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0484","0.0425","","","0.0971","0.0998","","","","","","1.156","","","","has coordinates,has disorder","279025","2022-11-07","05:47:07",""
"7061860","11.2161","0.0009","26.7043","0.0018","8.8228","0.0007","90","","91.737","0.004","90","","2641.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl2 N8 Rh S -","- C22 H31 Cl2 N8 Rh S -","- C88 H124 Cl8 N32 Rh4 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0393","0.0347","","","0.0928","0.0959","","","","","","1.098","","","","has coordinates","279025","2022-11-07","05:47:07",""
"7061861","13.6056","0.0007","14.0473","0.0008","14.1811","0.0008","82.735","0.003","64.6","0.003","71.903","0.003","2327.1","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H52 Cl2 F12 N4 O2 P2 Ru2 S2 -","- C40 H52 Cl2 F12 N4 O2 P2 Ru2 S2 -","- C80 H104 Cl4 F24 N8 O4 P4 Ru4 S4 -","2","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0596","0.0432","","","0.0987","0.1052","","","","","","1.043","","","","has coordinates,has disorder","279025","2022-11-07","05:47:07",""
"7061862","9.0819","0.0004","26.5743","0.0013","11.1669","0.0006","90","","90.582","0.003","90","","2694.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Ir N8 S2 -","- C20 H27 Ir N8 S2 -","- C80 H108 Ir4 N32 S8 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","Mokα","","0.0809","0.057","","","0.1361","0.1446","","","","","","1.287","","","","has coordinates,has disorder","279025","2022-11-07","05:47:07",""
"7061863","22.0955","0.0016","16.5036","0.0016","14.8446","0.0013","90","","101.726","0.005","90","","5300.2","0.8","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 Cl2 F12 N4 O3 P2 Rh2 S2 -","- C43 H60 Cl2 F12 N4 O3 P2 Rh2 S2 -","- C172 H240 Cl8 F48 N16 O12 P8 Rh8 S8 -","4","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0203","0.019","","","0.044","0.0448","","","","","","1.059","","","","has coordinates,has disorder","279025","2022-11-07","05:47:07",""
"7061864","8.2773","0.0002","12.905","0.0004","22.8179","0.001","90","","91.109","0.001","90","","2436.92","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cl2 F12 Ir2 N4 P2 S2 -","- C42 H58 Cl2 F12 Ir2 N4 P2 S2 -","- C84 H116 Cl4 F24 Ir4 N8 P4 S4 -","2","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0974","0.0418","","","0.0701","0.0808","","","","","","0.911","","","","has coordinates","279025","2022-11-07","05:47:07",""
"7061865","11.1957","0.0005","26.6373","0.0014","8.8859","0.0006","90","","91.619","0.003","90","","2648.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl2 Ir N8 S -","- C22 H31 Cl2 Ir N8 S -","- C88 H124 Cl8 Ir4 N32 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0448","0.0266","","","0.0545","0.0604","","","","","","1.012","","","","has coordinates","279025","2022-11-07","05:47:07",""
"7061866","7.959","0.002","12.268","0.003","13.193","0.004","97.42","0.019","99.95","0.02","102.764","0.016","1218.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H58 Cl2 F12 N4 P2 Rh2 S2 -","- C42 H58 Cl2 F12 N4 P2 Rh2 S2 -","- C42 H58 Cl2 F12 N4 P2 Rh2 S2 -","1","0.5","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.1657","0.0688","","","0.1377","0.1859","","","","","","0.931","","","","has coordinates","279025","2022-11-07","05:47:07",""
"7061867","11.1527","0.0008","26.4244","0.0017","8.7878","0.0006","90","","91.855","0.003","90","","2588.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl2 N8 O Rh S -","- C21 H29 Cl2 N8 O Rh S -","- C84 H116 Cl8 N32 O4 Rh4 S4 -","4","1","","Dkhar, Lincoln; Gupta, Hrishikesh; Poluri, Krishna Mohan; Gannon, Paige M.; Kaminsky, Werner; Kollipara, Mohan Rao","Influence of counterions on the formation of supramolecular platinum group metal complexes containing pyridyl thioamide derivatives: antioxidant and antimicrobial studies","New Journal of Chemistry","2022","46","40","19241","19253","10.1039/D2NJ03108F","","x-ray","0.71073","MoKα","","0.0547","0.0346","","","0.0787","0.0845","","","","","","1.005","","","","has coordinates","279025","2022-11-07","05:47:07",""
"7061868","26.2711","0.0013","7.5096","0.0003","20.5122","0.0011","90","","108.674","0.006","90","","3833.7","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H18 N2 O S2 -","- C21 H18 N2 O S2 -","- C168 H144 N16 O8 S16 -","8","1","","Al-Noaimi, Mousa; Awwadi, Firas F.; Hendal, Abdellah; Aljammal, Azzam; Talib, Wamidh H.; Mahmod, Asma Ismail","Effect of chalcogen bonding interactions on molecular structures; theoretical and crystallographic studies on two palladium(ii) acetate complexes","New Journal of Chemistry","2022","46","38","18551","18562","10.1039/D2NJ01995G","","x-ray","0.71073","MoKα","","0.0577","0.0389","","","0.092","0.0998","","","","","","1.042","","","","has coordinates","278473","2022-10-07","01:16:53",""
"7061869","9.4336","0.0006","9.6103","0.0007","13.3454","0.0011","82.933","0.007","86.757","0.006","70.139","0.006","1129.14","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 N2 O4 Pd S2 -","- C23 H22 N2 O4 Pd S2 -","- C46 H44 N4 O8 Pd2 S4 -","2","1","","Al-Noaimi, Mousa; Awwadi, Firas F.; Hendal, Abdellah; Aljammal, Azzam; Talib, Wamidh H.; Mahmod, Asma Ismail","Effect of chalcogen bonding interactions on molecular structures; theoretical and crystallographic studies on two palladium(ii) acetate complexes","New Journal of Chemistry","2022","46","38","18551","18562","10.1039/D2NJ01995G","","x-ray","0.71073","MoKα","","0.058","0.0412","","","0.0738","0.0829","","","","","","1.042","","","","has coordinates","278473","2022-10-07","01:16:55",""
"7061870","10.1468","0.0001","10.3596","0.0001","10.7714","0.0001","78.54","0.001","61.976","0.001","64.654","0.001","903.282","0.019","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O3 Pd S2 -","- C18 H18 N2 O3 Pd S2 -","- C36 H36 N4 O6 Pd2 S4 -","2","1","","Al-Noaimi, Mousa; Awwadi, Firas F.; Hendal, Abdellah; Aljammal, Azzam; Talib, Wamidh H.; Mahmod, Asma Ismail","Effect of chalcogen bonding interactions on molecular structures; theoretical and crystallographic studies on two palladium(ii) acetate complexes","New Journal of Chemistry","2022","46","38","18551","18562","10.1039/D2NJ01995G","","","0.71073","MoKα","","0.0313","0.0266","","","0.0564","0.0594","","","","","","1.045","","","","has coordinates","278473","2022-10-07","01:16:58",""
"7061871","8.4278","0.0006","12.123","0.0009","13.753","0.0009","90","","92.779","0.002","90","","1403.49","0.17","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl2 Co N2 Te2 -","- C10 H8 Cl2 Co N2 Te2 -","- C40 H32 Cl8 Co4 N8 Te8 -","4","1","","da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta","Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies","New Journal of Chemistry","2022","46","38","18165","18172","10.1039/D2NJ02761E","","","0.71073","MoKα","","0.019","0.0176","","","0.0403","0.0406","","","","","","1.251","","","","has coordinates","278479","2022-10-07","01:19:25",""
"7061872","20.7062","0.0016","8.3237","0.0006","14.6386","0.0012","90","","94.93","0.003","90","","2513.7","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Cu2 N4 O2 Te2 -","- C20 H16 Cl4 Cu2 N4 O2 Te2 -","- C80 H64 Cl16 Cu8 N16 O8 Te8 -","4","0.5","","da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta","Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies","New Journal of Chemistry","2022","46","38","18165","18172","10.1039/D2NJ02761E","","","0.71073","MoKα","","0.0528","0.0409","","","0.0952","0.0992","","","","","","1.167","","","","has coordinates","278479","2022-10-07","01:19:39",""
"7061873","9.5162","0.0004","9.9462","0.0004","15.3597","0.0005","99.915","0.001","93.089","0.001","108.957","0.001","1344.97","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br2 Cu2 N4 Te4 -","- C20 H16 Br2 Cu2 N4 Te4 -","- C40 H32 Br4 Cu4 N8 Te8 -","2","1","","da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta","Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies","New Journal of Chemistry","2022","46","38","18165","18172","10.1039/D2NJ02761E","","","0.71073","MoKα","","0.0452","0.0303","","","0.0695","0.0749","","","","","","1.028","","","","has coordinates","278479","2022-10-07","01:19:49",""
"7061874","13.9956","0.0005","15.6522","0.0007","27.3451","0.0009","90","","90","","90","","5990.3","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Br2 Co N2 Te2 -","- C10 H8 Br2 Co N2 Te2 -","- C160 H128 Br32 Co16 N32 Te32 -","16","2","","da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta","Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies","New Journal of Chemistry","2022","46","38","18165","18172","10.1039/D2NJ02761E","","","0.71073","MoKα","","0.0507","0.0378","","","0.0813","0.0892","","","","","","1.098","","","","has coordinates","278479","2022-10-07","01:19:53",""
"7061875","27.5216","0.0005","16.1867","0.0002","28.0818","0.0005","90","","90","","90","","12510","0.4","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H60 Ag Cl3 O4 P4 Pt -","- C71 H60 Ag Cl3 O4 P4 Pt -","- C568 H480 Ag8 Cl24 O32 P32 Pt8 -","8","1","","Wei, Qiao-Hua; Zhang, Si-Qi; Ma, Xian-Jian; Huang, Zheng-Zhao; Wang, Bin","A novel heterometallic platinum(ii)–silver(i) alkynyl complex [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies exhibiting morphology-dependent photoluminescence","New Journal of Chemistry","2022","46","39","18990","18995","10.1039/D2NJ02016E","","","0.71073","MoKα","","0.028","0.0214","","","0.0454","0.0491","","","","","","1.052","","","","has coordinates,has disorder","279012","2022-11-07","05:40:12",""
"7061876","13.0729","0.0011","15.4714","0.0013","17.6099","0.0014","101.452","0.003","91.844","0.003","113.429","0.003","3178.4","0.5","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H66 Ag Cl O6 P4 Pt -","- C72 H66 Ag Cl O6 P4 Pt -","- C144 H132 Ag2 Cl2 O12 P8 Pt2 -","2","1","","Wei, Qiao-Hua; Zhang, Si-Qi; Ma, Xian-Jian; Huang, Zheng-Zhao; Wang, Bin","A novel heterometallic platinum(ii)–silver(i) alkynyl complex [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies exhibiting morphology-dependent photoluminescence","New Journal of Chemistry","2022","46","39","18990","18995","10.1039/D2NJ02016E","","","0.71073","MoKα","","0.022","0.0194","","","0.043","0.0444","","","","","","1.052","","","","has coordinates,has disorder","279012","2022-11-07","05:40:13",""
"7061877","24.03","0.002","32.02","0.003","8.3827","0.0008","90","","90","","90","","6450","1","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C24 H24.11 Br F3 N3 O13.05 S Tb -","- C24 H24.11 Br F3 N3 O13.055 S Tb -","- C192 H192.88 Br8 F24 N24 O104.44 S8 Tb8 -","8","1","","Yadav, Usha; Abbas, Zafar; Butcher, Ray J.; Patra, Ashis K.","A luminescent terbium(iii) probe as an efficient ‘Turn-ON’ sensor for dipicolinic acid, a Bacillus Anthracis biomarker","New Journal of Chemistry","2022","46","38","18285","18294","10.1039/D2NJ03437A","","","0.71073","MoKα","","0.0539","0.0378","","","0.077","0.086","","","","","","1.055","","","","has coordinates,has disorder","278471","2022-10-07","01:16:14",""
"7061878","8.3473","0.0003","17.4598","0.0007","18.3029","0.0007","76.871","0.002","89.666","0.002","81.002","0.002","2564.59","0.17","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 N5 O16 Tb2 -","- C66 H42 N5 O16 Tb2 -","- C66 H42 N5 O16 Tb2 -","1","0.5","","Shi, Min; Fu, Chenchen; Yu, Jie; Yang, Yapu; Shi, Pengfei","A novel 2D metal–organic framework probe: a highly sensitive and visual fluorescent sensor for Al3+, Cr3+ and Fe3+ ions","New Journal of Chemistry","2022","46","39","18911","18916","10.1039/D2NJ03911G","","","0.71073","MoKα","","0.0489","0.0405","","","0.1109","0.1169","","","","","","1.04","","","","has coordinates","279019","2022-11-07","05:42:26",""
"7061879","11.28","0.002","18.471","0.003","20.171","0.004","90","","100.516","0.002","90","","4132.1","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N4 O6 -","- C22 H20 Co N4 O6 -","- C176 H160 Co8 N32 O48 -","8","1","","Yang, Bo","Sensing and photocatalytic properties of a new 3D Co(ii) coordination polymer based on 1,1′-di(p-carboxybenzyl)-2,2′-biimidazole","New Journal of Chemistry","2022","46","39","18848","18853","10.1039/D2NJ03281C","","","0.71073","MoKα","","0.0346","0.0297","","","0.0855","0.0883","","","","","","0.927","","","","has coordinates","279018","2022-11-07","05:42:20",""
"7061880","16.6319","0.0008","9.1023","0.0005","24.8356","0.0016","90","","97.289","0.005","90","","3729.4","0.4","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Ag2 N6 O10 P2 -","- C34 H34 Ag2 N6 O10 P2 -","- C136 H136 Ag8 N24 O40 P8 -","4","0.5","","Gholivand, Khodayar; Faraghi, Mohammad; Tizhoush, Samaneh K.; Ahmadi, Sara; Yousefian, Mostafa; Mohammadpanah, Fahimeh; Roe, S. Mark","Synthesis, characterization, biological properties, and molecular docking studies of new phosphoramide-based Ag(i) complexes","New Journal of Chemistry","2022","46","38","18326","18335","10.1039/D2NJ02748H","","","1.54184","CuKα","","0.0466","0.0397","","","0.1081","0.1139","","","","","","1.064","","","","has coordinates","278475","2022-10-07","01:17:27",""
"7061881","10.8784","0.0007","11.6578","0.0008","14.9903","0.001","87.91","0.004","79.914","0.003","69.632","0.003","1754","0.2","172","2","172","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H36 Cl3 Fe N7 O3 P4 -","- C31 H36 Cl3 Fe N7 O3 P4 -","- C62 H72 Cl6 Fe2 N14 O6 P8 -","2","1","","Mutlu, Gürcü; Okumuş, Aytuğ; Elmas, Gamze; Kılıç, Zeynel; Güzel, Remziye; Sabah, Büşra Nur; Açık, Leyla; Mergen, Hatice; Hökelek, Tuncer","Phosphorus–nitrogen compounds. Part 65. Novel diansa-spiro-cyclotetraphosphazenes: synthesis, characterization, bioactivity and electrochemical properties, and dye-sensitized solar cell fabrication studies","New Journal of Chemistry","2022","46","38","18384","18401","10.1039/D2NJ03001B","","","0.71073","MoKα","","0.0305","0.0273","","","0.0716","0.0736","","","","","","1.031","","","","has coordinates","278476","2022-10-07","01:17:34",""
"7061882","15.07","0.003","12.12","0.002","10.84","0.002","90","","100.41","0.03","90","","1947.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 La O9 S3 -","- C15 H15 La O9 S3 -","- C60 H60 La4 O36 S12 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","Synchrotron","","0.0359","0.0345","","","0.0958","0.0968","","","","","","1.099","","","","has coordinates,has disorder","279024","2022-11-07","05:44:31",""
"7061883","15.059","0.003","12.157","0.002","10.775","0.002","90","","100.81","0.03","90","","1937.6","0.6","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 O9 Pr S3 -","- C15 H15 O9 Pr S3 -","- C60 H60 O36 Pr4 S12 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","1.54184","CuKα","","0.0574","0.0522","","","0.1335","0.1412","","","","","","1.05","","","","has coordinates,has disorder","279024","2022-11-07","05:44:40",""
"7061884","15.0999","0.0006","12.1722","0.0004","10.8103","0.0003","90","","100.769","0.003","90","","1951.93","0.12","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ce O9 S3 -","- C15 H15 Ce O9 S3 -","- C60 H60 Ce4 O36 S12 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","x-ray","0.71073","MoKα","","0.0548","0.0408","","","0.0783","0.0851","","","","","","1.034","","","","has coordinates,has disorder","279024","2022-11-07","05:44:43",""
"7061885","15.02","0.003","12.07","0.002","10.72","0.002","90","","100.78","0.03","90","","1909.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Nd O9 S3 -","- C15 H15 Nd O9 S3 -","- C60 H60 Nd4 O36 S12 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","Synchrotron","","0.0356","0.0342","","","0.1032","0.106","","","","","","1.08","","","","has coordinates,has disorder","279024","2022-11-07","05:44:46",""
"7061886","15.042","0.003","12.055","0.002","10.666","0.002","90","","101","0.03","90","","1898.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 O9 S3 Sm -","- C15 H15 O9 S3 Sm -","- C60 H60 O36 S12 Sm4 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","Synchrotron","","0.0646","0.0615","","","0.175","0.1791","","","","","","1.047","","","","has coordinates,has disorder","279024","2022-11-07","05:44:55",""
"7061887","14.96","0.003","12","0.002","10.6","0.002","90","","101.07","0.03","90","","1867.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Gd O9 S3 -","- C15 H15 Gd O9 S3 -","- C60 H60 Gd4 O36 S12 -","4","1","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","Synchrotron","","0.0329","0.0312","","","0.0876","0.0896","","","","","","1.037","","","","has coordinates,has disorder","279024","2022-11-07","05:45:05",""
"7061888","9.9388","0.0006","19.2401","0.0011","11.0949","0.0008","90","","116.176","0.008","90","","1904","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ho2 O17 S6 -","- C30 H28 Ho2 O17 S6 -","- C60 H56 Ho4 O34 S12 -","2","0.5","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","x-ray","0.71073","MoKα","","0.059","0.0484","","","0.0854","0.0905","","","","","","1.136","","","","has coordinates,has disorder","279024","2022-11-07","05:45:09",""
"7061889","9.9091","0.0007","19.1194","0.0007","11.021","0.0007","90","","115.932","0.008","90","","1877.8","0.2","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Dy2 O17 S6 -","- C30 H28 Dy2 O17 S6 -","- C60 H56 Dy4 O34 S12 -","2","0.5","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","MoKα","","0.0313","0.0256","","","0.0561","0.0581","","","","","","1.051","","","","has coordinates,has disorder","279024","2022-11-07","05:45:20",""
"7061890","9.8729","0.0003","19.2032","0.0005","11.0534","0.0004","90","","116.308","0.004","90","","1878.57","0.12","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Lu2 O17 S6 -","- C30 H28 Lu2 O17 S6 -","- C60 H56 Lu4 O34 S12 -","2","0.5","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","x-ray","0.71073","MoKα","","0.0379","0.0303","","","0.0592","0.062","","","","","","1.051","","","","has coordinates,has disorder","279024","2022-11-07","05:45:22",""
"7061891","9.92","0.002","19.17","0.004","11.08","0.002","90","","116.41","0.03","90","","1887.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O17 S6 Y2 -","- C30 H28 O17 S6 Y2 -","- C60 H56 O34 S12 Y4 -","2","0.5","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","Synchrotron","","0.0374","0.0357","","","0.0965","0.0978","","","","","","1.073","","","","has coordinates,has disorder","279024","2022-11-07","05:45:32",""
"7061892","9.9187","0.0007","19.18","0.0007","11.0843","0.0007","90","","116.458","0.008","90","","1887.8","0.2","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Er2 O17 S6 -","- C30 H28 Er2 O17 S6 -","- C60 H56 Er4 O34 S12 -","2","0.5","","Vithana, Vidushi P.; Guo, Zhifang; Deacon, Glen B.; Somers, Anthony E.; Junk, Peter C.","Synthesis, structure, and corrosion inhibiting properties of REIII 3-thiophenecarboxylate complexes","New Journal of Chemistry","2022","46","40","19104","19111","10.1039/D2NJ03556A","","","0.71073","MoKα","","0.0321","0.0235","","","0.0511","0.0546","","","","","","1.036","","","","has coordinates,has disorder","279024","2022-11-07","05:45:34",""
"7061893","9.8712","0.001","13.0188","0.0012","14.006","0.0015","90","","100.771","0.01","90","","1768.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl2 Cu N3 O2 -","- C17 H19 Cl2 Cu N3 O2 -","- C68 H76 Cl8 Cu4 N12 O8 -","4","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","0.71073","MoKα","","0.0545","0.0406","","","0.1132","0.1238","","","","","","1.011","","","","has coordinates","279021","2022-11-07","05:43:08",""
"7061894","5.6257","0.0019","18.091","0.004","16.167","0.004","90","","90","","90","","1645.4","0.8","110","3","110","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H18 N6 O -","- C19 H18 N6 O -","- C76 H72 N24 O4 -","4","0.5","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","0.71073","MoKα","","0.0559","0.0491","","","0.1238","0.1312","","","","","","1.06","","","","has coordinates,has disorder","279021","2022-11-07","05:43:18",""
"7061895","10.098","0.0001","12.9658","0.0002","14.2415","0.0002","90","","101.785","0.001","90","","1825.32","0.04","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br2 Cu N3 O2 -","- C17 H19 Br2 Cu N3 O2 -","- C68 H76 Br8 Cu4 N12 O8 -","4","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","1.54184","CuKα","","0.0357","0.0335","","","0.0886","0.0902","","","","","","1.045","","","","has coordinates","279021","2022-11-07","05:43:18",""
"7061896","28.11","0.003","10.0413","0.0009","8.0483","0.0006","90","","90","","90","","2271.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C88 H96 Cl8 N24 O8 -","8","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","1.54184","CuKα","","0.1716","0.109","","","0.2916","0.3453","","","","","","1.128","","","","has coordinates","279021","2022-11-07","05:43:20",""
"7061897","4.6463","0.0003","13.9998","0.0009","9.849","0.0006","90","","96.32","0.007","90","","636.76","0.07","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C26 H30 N6 O6 -","2","1","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","","1.54184","CuKα","","0.0556","0.0547","","","0.1484","0.1492","","","","","","1.068","","","","has coordinates","279021","2022-11-07","05:43:20",""
"7061898","10.154","0.002","15.904","0.003","23.353","0.006","90","","98.03","0.02","90","","3734.3","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 Cu N3 O5 -","- C17 H20 Cl2 Cu N3 O5 -","- C136 H160 Cl16 Cu8 N24 O40 -","8","2","","Ajormal, Fatemeh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna; Lis, Tadeusz","Green catalytic synthesis of symmetric and non-symmetric β-hydroxy-1,2,3-triazoles by using epichlorohydrin in the presence of Cu(ii) coordination compounds containing oxazole ligands","New Journal of Chemistry","2022","46","40","19468","19481","10.1039/D2NJ03826A","","x-ray","0.71073","MoKα","","0.0469","0.0341","","","0.0808","0.0877","","","","","","1.039","","","","has coordinates","279021","2022-11-07","05:43:28",""
"7061899","12.3686","0.0008","8.7434","0.0007","21.3869","0.0012","90","","90.743","0.006","90","","2312.7","0.3","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 F N4 O6 -","- C26 H21 F N4 O6 -","- C104 H84 F4 N16 O24 -","4","1","","Yin, Zhi-Gang; Liu, Xiong-Wei; Chen, Lin; Liu, Xiong-Li; Pan, Bo-Wen; Zhou, Ying","Regio- and stereoselective synthesis and evaluation of densely functionalized bispiro[oxindole-isoxazole-indandione] hybrids as anticancer agents","New Journal of Chemistry","2022","46","40","19442","19454","10.1039/D2NJ03349F","","x-ray","0.71073","MoKα","","0.0573","0.0426","","","0.0911","0.0994","","","","","","1.04","","","","has coordinates","279020","2022-11-07","05:42:53",""
"7061900","12.6086","0.0007","8.8642","0.0005","20.3547","0.0014","90","","92.86","0.005","90","","2272.1","0.2","199.92","0.16","199.92","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F N4 O6 -","- C25 H19 F N4 O6 -","- C100 H76 F4 N16 O24 -","4","1","","Yin, Zhi-Gang; Liu, Xiong-Wei; Chen, Lin; Liu, Xiong-Li; Pan, Bo-Wen; Zhou, Ying","Regio- and stereoselective synthesis and evaluation of densely functionalized bispiro[oxindole-isoxazole-indandione] hybrids as anticancer agents","New Journal of Chemistry","2022","46","40","19442","19454","10.1039/D2NJ03349F","","x-ray","0.71073","MoKα","","0.062","0.049","","","0.12","0.1309","","","","","","1.062","","","","has coordinates","279020","2022-11-07","05:42:54",""
"7061901","10.8124","0.0004","12.0917","0.0004","13.9441","0.0004","69.434","0.001","74.289","0.001","70.638","0.001","1585.57","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ag-1138","","- C4.92 H4 Ag0.31 N0.92 O0.92 S0.31 -","- C4.92308 H4 Ag0.307692 N0.923077 O0.923077 S0.307692 -","- C64 H52 Ag4 N12 O12 S4 -","13","6.5","","Wang, Shuyu; Zhao, Lijia; Fang, Fang; Wang, Lei; Zhang, Zhen; Zhang, Suoshu; Du, Lin; Zhao, Qi-Hua","A mixed strategy to fabricate two bifunctional ligand-based Ag-complexes with high proton conductivity","New Journal of Chemistry","2022","46","44","21054","21064","10.1039/D2NJ03890K","","","0.71073","MoKα","","0.101","0.0495","","","0.0734","0.0921","","","","","","1.038","","","","has coordinates","280182","2023-01-06","09:50:36",""
"7061902","16.5891","0.0004","11.087","0.0003","17.9715","0.0004","90","","99.581","0.001","90","","3259.27","0.14","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Ag2 N6 O6 S2 -","- C36 H26 Ag2 N6 O6 S2 -","- C144 H104 Ag8 N24 O24 S8 -","4","1","","Wang, Shuyu; Zhao, Lijia; Fang, Fang; Wang, Lei; Zhang, Zhen; Zhang, Suoshu; Du, Lin; Zhao, Qi-Hua","A mixed strategy to fabricate two bifunctional ligand-based Ag-complexes with high proton conductivity","New Journal of Chemistry","2022","46","44","21054","21064","10.1039/D2NJ03890K","","","0.71073","MoKα","","0.0655","0.0382","","","0.0655","0.0776","","","","","","1.056","","","","has coordinates","280182","2023-01-06","09:50:37",""
"7061903","7.8514","0.0008","22.467","0.002","12.0991","0.0014","90","","90","","90","","2134.2","0.4","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N Ni O13 -","- C22 H17 N Ni O13 -","- C88 H68 N4 Ni4 O52 -","4","0.5","","Yan, Yang-Tian; Ge, Lei; Wu, Yun-Long; Cai, Wei; Tang, Peng-Fei; Zhang, Wen-Yan; Wang, Yao-Yu","Two new Ni/Co-MOFs as electrocatalysts for the oxygen evolution reaction in alkaline electrolytes","New Journal of Chemistry","2022","46","39","18996","19001","10.1039/D2NJ03815C","","","0.71073","MoKα","","0.0435","0.0322","","","0.0824","0.0888","","","","","","1.017","","","","has coordinates","279013","2022-11-07","05:40:25",""
"7061904","7.9535","0.0007","22.571","0.002","12.056","0.0011","90","","90","","90","","2164.3","0.3","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 Co N O13 -","- C22 H17 Co N O13 -","- C88 H68 Co4 N4 O52 -","4","0.5","","Yan, Yang-Tian; Ge, Lei; Wu, Yun-Long; Cai, Wei; Tang, Peng-Fei; Zhang, Wen-Yan; Wang, Yao-Yu","Two new Ni/Co-MOFs as electrocatalysts for the oxygen evolution reaction in alkaline electrolytes","New Journal of Chemistry","2022","46","39","18996","19001","10.1039/D2NJ03815C","","","0.71073","MoKα","","0.0374","0.03","","","0.0783","0.0826","","","","","","1.077","","","","has coordinates","279013","2022-11-07","05:40:25",""
"7061905","29.171","0.002","29.171","0.002","29.171","0.002","90","","90","","90","","24823","3","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","Cz-MOF-1","","","- C99 H115 N13 O23 S6 Zn4 -","- C67.5 H43.5 N3 O13 S6 Zn4 -","- C540 H348 N24 O104 S48 Zn32 -","8","0.0416667","","Ding, Shan; Cheng, Cong; Xu, Jia-Hui; Tang, Zhe; Yang, Guang-Sheng; Peng, Shuai-Feng; Yu, Lin-Qun; Jiang, Chun-Jie; Su, Zhong-Min","A water-stable Zn4O-based MOF decorated with carbazolyl chromophores for multi-responsive fluorescence sensing of Fe3+, Cr2O72− and nitro-compounds","New Journal of Chemistry","2022","46","39","18710","18717","10.1039/D2NJ03236H","","","0.71069","MoKα","","0.1264","0.0949","","","0.2608","0.3312","","","","","","1.021","","","","has coordinates,has disorder","279008","2022-11-07","05:39:09",""
"7061906","20.262","0.0005","4.7248","0.0001","16.6253","0.0004","90","","90.48","0.002","90","","1591.55","0.06","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl-6-fluoro-3-hydroxypyrazine-2-carboxylate","","- C7 H7 F N2 O3 -","- C7 H7 F N2 O3 -","- C56 H56 F8 N16 O24 -","8","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0401","0.0374","","","0.0997","0.1022","","","","","","1.073","","","","has coordinates","279014","2022-11-07","05:40:38",""
"7061907","9.0668","0.0005","14.8508","0.001","4.5755","0.0003","90","","90","","90","","616.09","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","FAVIPIRAVIR","","- C5 H4 F N3 O2 -","- C5 H4 F N3 O2 -","- C20 H16 F4 N12 O8 -","4","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0691","0.0586","","","0.1412","0.1498","","","","","","1.035","","","","has coordinates","279014","2022-11-07","05:40:41",""
"7061908","11.35633","0.00017","12.74","0.0003","24.1766","0.0005","90","","90","","90","","3497.86","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl-3-oxo-4-hydropyrazine-2-carboxylate","","- C12 H22 N4 O11 -","- C12 H22 N4 O11 -","- C96 H176 N32 O88 -","8","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0638","0.0511","","","0.124","0.1316","","","","","","1.036","","","","has coordinates","279014","2022-11-07","05:40:51",""
"7061909","18.7318","0.0005","18.7318","0.0005","5.1839","0.0002","90","","90","","90","","1818.93","0.1","300","1","300","1","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C14 H14 Cl2 N4 O6 -","- C14 H14 Cl2 N4 O6.02 -","- C56 H56 Cl8 N16 O24.08 -","4","0.5","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0481","0.0389","","","0.1095","0.1162","","","","","","1.055","","","","has coordinates,has disorder","279014","2022-11-07","05:40:53",""
"7061910","4.26356","0.00016","5.3334","0.0002","15.8471","0.0006","90","","93.394","0.004","90","","359.72","0.02","157","30","157","30","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H4 Br N3 O2 -","- C5 H4 Br N3 O2 -","- C10 H8 Br2 N6 O4 -","2","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0586","0.0573","","","0.1671","0.1682","","","","","","1.168","","","","has coordinates","279014","2022-11-07","05:40:55",""
"7061911","18.4161","0.0007","18.4161","0.0007","5.545","0.0002","90","","90","","90","","1880.6","0.12","298.8","0.5","298.8","0.5","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C7 H7 Br N2 O3 -","- C7 H7 Br N2 O3 -","- C56 H56 Br8 N16 O24 -","8","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.057","0.0416","","","0.0992","0.1075","","","","","","1.047","","","","has coordinates","279014","2022-11-07","05:41:05",""
"7061912","20.5834","0.0005","5.2244","0.0001","15.7133","0.0004","90","","111.662","0.003","90","","1570.41","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ethyl_3-oxo-4-hydropyrazine-2-carboxylate","","- C14 H18 N4 O7 -","- C14 H18 N4 O7 -","- C56 H72 N16 O28 -","4","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0519","0.0491","","","0.1356","0.1385","","","","","","1.031","","","","has coordinates","279014","2022-11-07","05:41:05",""
"7061913","4.124","0.0002","12.7162","0.0006","14.3351","0.0009","67.238","0.005","82.602","0.005","81.791","0.004","683.88","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Methyl-6-fluoro-3-hydroxypyrazine-2-carboxylate","","- C12 H10 F2 N4 O6 -","- C12 H10 F2 N4 O6 -","- C24 H20 F4 N8 O12 -","2","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0565","0.0519","","","0.1421","0.1465","","","","","","1.046","","","","has coordinates","279014","2022-11-07","05:41:05",""
"7061914","8.9465","0.0005","17.4587","0.0009","8.1154","0.0004","90","","96.586","0.005","90","","1259.21","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.0351","0.0342","","","0.0812","0.0817","","","","","","1.064","","","","has coordinates","279023","2022-11-07","05:43:50",""
"7061915","9.0546","0.0005","17.6736","0.0008","8.1163","0.0003","90","","96.279","0.004","90","","1291.04","0.1","332.99","0.11","332.99","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.0283","0.0256","","","0.0569","0.0576","","","","","","1.005","","","","has coordinates","279023","2022-11-07","05:43:53",""
"7061916","9.0521","0.0005","17.6601","0.0011","8.1063","0.0005","90","","96.332","0.006","90","","1287.98","0.13","328","0.1","328","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H13 Br3 Cl N Pb -","- C5 H13 Br3 Cl N Pb -","- C20 H52 Br12 Cl4 N4 Pb4 -","4","1","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.026","0.0242","","","0.0597","0.0602","","","","","","1.123","","","","has coordinates","279023","2022-11-07","05:44:02",""
"7061917","7.93","0.0007","17.238","0.002","9.7334","0.0012","90","","90","","90","","1330.5","0.3","340","2","340","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H26 Br6 Cl2 N2 Pb2 -","- C10 Br6 Cl2 N2 Pb2 -","- C20 Br12 Cl4 N4 Pb4 -","2","0.5","","Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan","A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films","New Journal of Chemistry","2022","46","40","19391","19400","10.1039/D2NJ03613D","","","0.71073","MoKα","","0.3323","0.1035","","","0.2319","0.3304","","","","","","1.031","","","","has coordinates,has disorder","279023","2022-11-07","05:44:12",""
"7061918","9.6335","0.0009","10.5541","0.0011","10.7463","0.0009","74.967","0.004","66.776","0.004","66.004","0.004","910.89","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Br N2 O4 -","- C19 H19 Br N2 O4 -","- C38 H38 Br2 N4 O8 -","2","1","","Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh","Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids","New Journal of Chemistry","2022","46","41","19648","19657","10.1039/D2NJ02616C","","","0.71073","MoKα","","0.1007","0.062","","","0.1837","0.2054","","","","","","1.083","","","","has coordinates","279002","2022-11-07","05:36:56",""
"7061919","8.7203","0.0005","9.1769","0.0007","13.4991","0.0009","74.064","0.003","88.893","0.003","71.669","0.003","983.38","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 I N2 O4 -","- C19 H19 I N2 O4 -","- C38 H38 I2 N4 O8 -","2","1","","Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh","Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids","New Journal of Chemistry","2022","46","41","19648","19657","10.1039/D2NJ02616C","","","0.71073","MoKα","","0.0376","0.0309","","","0.0825","0.0867","","","","","","1.01","","","","has coordinates","279002","2022-11-07","05:37:07",""
"7061920","9.5811","0.0003","10.4629","0.0004","10.6719","0.0004","74.919","0.002","66.039","0.002","64.784","0.002","879.53","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl N2 O4 -","- C19 H19 Cl N2 O4 -","- C38 H38 Cl2 N4 O8 -","2","1","","Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh","Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids","New Journal of Chemistry","2022","46","41","19648","19657","10.1039/D2NJ02616C","","","0.71073","MoKα","","0.0414","0.0381","","","0.1091","0.1116","","","","","","1.071","","","","has coordinates","279002","2022-11-07","05:37:11",""
"7061921","9.5349","0.0006","10.5406","0.0007","10.6231","0.0007","76.135","0.003","66.751","0.003","64.827","0.003","884.49","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 F N2 O4 -","- C19 H19 F N2 O4 -","- C38 H38 F2 N4 O8 -","2","1","","Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh","Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids","New Journal of Chemistry","2022","46","41","19648","19657","10.1039/D2NJ02616C","","","0.71073","MoKα","","0.0771","0.0502","","","0.1401","0.1589","","","","","","1.036","","","","has coordinates","279002","2022-11-07","05:37:11",""
"7061922","8.4482","0.0019","10.535","0.003","10.731","0.003","101.727","0.012","97.628","0.011","104.253","0.013","889.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C38 H40 N4 O8 -","2","1","","Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh","Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids","New Journal of Chemistry","2022","46","41","19648","19657","10.1039/D2NJ02616C","","","0.71073","MoKα","","0.1213","0.0611","","","0.1398","0.1678","","","","","","0.882","","","","has coordinates","279002","2022-11-07","05:37:11",""
"7061923","5.8968","0.0004","20.5777","0.0013","13.8298","0.0008","90","","91.956","0.003","90","","1677.17","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N O S2 -","- C17 H21 Fe N O S2 -","- C68 H84 Fe4 N4 O4 S8 -","4","1","","Dong, Junyang; Hu, Jianfeng; Zhang, Hao","One-pot synthesis of ferrocenyl dithiocarbamates and their application in the detection of Cu2+","New Journal of Chemistry","2022","46","41","19834","19840","10.1039/D2NJ04133B","","","0.71073","MoKα","","0.0842","0.0749","","","0.2021","0.2076","","","","","","1.12","","","","has coordinates","278999","2022-11-07","05:35:47",""
"7061924","8.8003","0.001","17.2762","0.0019","11.4665","0.0013","90","","90","","90","","1743.3","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H23 Fe N S2 -","- C17 H23 Fe N S2 -","- C68 H92 Fe4 N4 S8 -","4","1","","Dong, Junyang; Hu, Jianfeng; Zhang, Hao","One-pot synthesis of ferrocenyl dithiocarbamates and their application in the detection of Cu2+","New Journal of Chemistry","2022","46","41","19834","19840","10.1039/D2NJ04133B","","","0.71073","MoKα","","0.0363","0.0288","","","0.0671","0.0707","","","","","","1.011","","","","has coordinates","278999","2022-11-07","05:35:47",""
"7061925","9.0513","0.0003","9.9959","0.0003","14.488","0.0005","87.523","0.003","84.864","0.003","74.434","0.003","1257.41","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl3 Ir N4 O2 -","- C20 H28 Cl3 Ir N4 O2 -","- C40 H56 Cl6 Ir2 N8 O4 -","2","1","","Cerón-Castelán, Jesus E.; Salazar-Pereda, Veronica; González-Montiel, Simplicio; Mendoza-Espinosa, Daniel; Castro-Osma, José A.; López-Santos, Laura; Gómez-Bonilla, Manuel A.; Sandoval-Chavez, Cesar I.","RhIII and IrIII complexes bearing NNO-heteroscorpionates and their application in catalytic transfer hydrogenation","New Journal of Chemistry","2022","46","41","19841","19847","10.1039/D2NJ02704F","","","0.71073","MoKα","","0.0778","0.0527","","","0.122","0.1392","","","","","","1.1002","","","","has coordinates,has disorder","279001","2022-11-07","05:36:40",""
"7061926","8.9834","0.0004","9.9561","0.0007","14.3414","0.0011","88.11","0.006","86.549","0.005","75.125","0.005","1237.25","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl3 N4 O2 Rh -","- C20 H28 Cl3 N4 O2 Rh -","- C40 H56 Cl6 N8 O4 Rh2 -","2","1","","Cerón-Castelán, Jesus E.; Salazar-Pereda, Veronica; González-Montiel, Simplicio; Mendoza-Espinosa, Daniel; Castro-Osma, José A.; López-Santos, Laura; Gómez-Bonilla, Manuel A.; Sandoval-Chavez, Cesar I.","RhIII and IrIII complexes bearing NNO-heteroscorpionates and their application in catalytic transfer hydrogenation","New Journal of Chemistry","2022","46","41","19841","19847","10.1039/D2NJ02704F","","","0.71073","MoKα","","0.0887","0.0461","","","0.0922","0.1067","","","","","","1.0248","","","","has coordinates,has disorder","279001","2022-11-07","05:36:44",""
"7061927","14.9","0.0006","14.9","0.0006","6.5867","0.0005","90","","90","","120","","1266.4","0.12","295","","295","","","","","","","","","6","R -3 :H","-R 3","148","","","","- B12 Ba0.58 Ca0.42 Li7 O24 Sc -","- B12 Ba0.584 Ca0.416 Li7.0002 O24 Sc -","- B36 Ba1.752 Ca1.248 Li21.0006 O72 Sc3 -","3","0.166667","","Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu","Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges","New Journal of Chemistry","2022","46","41","19629","19632","10.1039/D2NJ04448J","","","0.71073","MoKα","","0.027","0.0253","","","0.0645","0.0655","","","","","","1.101","","","","has coordinates","278996","2022-11-07","05:35:17",""
"7061928","14.8742","0.0011","14.8742","0.0011","6.5524","0.0009","90","","90","","120","","1255.4","0.2","339","","339","","","","","","","","","5","R -3 :H","-R 3","148","","","","- B12 Li7 O24 Sc Sr -","- B12 Li7.0002 O24 Sc Sr -","- B36 Li21.0006 O72 Sc3 Sr3 -","3","0.166667","","Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu","Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges","New Journal of Chemistry","2022","46","41","19629","19632","10.1039/D2NJ04448J","","","0.71073","MoKα","","0.048","0.0413","","","0.0883","0.0924","","","","","","1.121","","","","has coordinates","278996","2022-11-07","05:35:27",""
"7061929","9.8517","0.0005","10.0871","0.0005","10.0861","0.0005","86.084","0.002","71.973","0.002","64.392","0.002","856.98","0.08","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","1","","Khan, Hilal Ahmad; Wotsa, Vikiho; J., Lavanya; Sivasankar, Chinnapan","Palladium catalyzed synthesis of poly-substituted and poly-functionalised conjugated 1,3-dienes from allyl bromides and α-diazoesters","New Journal of Chemistry","2022","46","41","19940","19949","10.1039/D2NJ03460C","","","0.71073","MoKα","","0.0566","0.0443","","","0.1049","0.1151","","","","","","1.035","","","","has coordinates","278998","2022-11-07","05:35:40",""
"7061930","6.395","0.002","9.493","0.003","14.804","0.004","90","","90","","90","","898.7","0.5","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H11 Cl3 Mn N2 -","- C3 H11 Cl3 Mn N2 -","- C12 H44 Cl12 Mn4 N8 -","4","0.5","","You, Xiuli; Wang, Lingyu; Peng, Ziqin; Wei, Zhenhong","Two manganese chloride organic–inorganic hybrid compounds showing strong luminescence and switchable phase transition and dielectric anomaly","New Journal of Chemistry","2022","46","41","20005","20009","10.1039/D2NJ03588J","","","0.71073","MoKα","","0.0488","0.0442","","","0.1032","0.1057","","","","","","1.12","","","","has coordinates,has disorder","278995","2022-11-07","05:35:05",""
"7061931","9.3174","0.0019","15.306","0.003","13.558","0.003","90","","95.311","0.004","90","","1925.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl4 F2 Mn N2 -","- C10 H26 Cl4 F2 Mn N2 -","- C40 H104 Cl16 F8 Mn4 N8 -","4","1","","You, Xiuli; Wang, Lingyu; Peng, Ziqin; Wei, Zhenhong","Two manganese chloride organic–inorganic hybrid compounds showing strong luminescence and switchable phase transition and dielectric anomaly","New Journal of Chemistry","2022","46","41","20005","20009","10.1039/D2NJ03588J","","","0.71073","MoKα","","0.0919","0.0614","","","0.1794","0.2022","","","","","","1.263","","","","has coordinates","278995","2022-11-07","05:35:05",""
"7061932","6.014","0.0002","11.4903","0.0005","22.1721","0.001","85.552","0.002","84.954","0.001","78.179","0.001","1491.06","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H40 Fe O P2 -","- C35 H40 Fe O P2 -","- C70 H80 Fe2 O2 P4 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0334","0.0291","","","0.0732","0.0761","","","","","","1.058","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061933","10.3484","0.0008","13.2912","0.001","11.8953","0.0009","90","","101.676","0.003","90","","1602.3","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H40 Fe O P2 Se2 -","- C35 H40 Fe O P2 Se2 -","- C70 H80 Fe2 O2 P4 Se4 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0214","0.0192","","","0.0424","0.043","","","","","","1.026","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061934","8.1762","0.0003","12.2017","0.0004","20.0739","0.0006","81.262","0.001","80.928","0.001","74.063","0.001","1889.1","0.11","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H34 Cl3 Fe N O3 P2 Pd -","- C41 H34 Cl3 Fe N O3 P2 Pd -","- C82 H68 Cl6 Fe2 N2 O6 P4 Pd2 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.024","0.0212","","","0.0476","0.0493","","","","","","1.039","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061935","17.3887","0.0004","9.9535","0.0003","19.3374","0.0005","90","","90","","90","","3346.89","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N3 O2 Pd -","- C15 H25 N3 O2 Pd -","- C120 H200 N24 O16 Pd8 -","8","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0216","0.0193","","","0.0455","0.047","","","","","","1.046","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061936","12.7157","0.0003","14.7205","0.0004","17.3222","0.0004","90","","103.817","0.001","90","","3148.57","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Fe N O2 P2 Pd -","- C39 H33 Fe N O2 P2 Pd -","- C156 H132 Fe4 N4 O8 P8 Pd4 -","4","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0209","0.0194","","","0.0473","0.0482","","","","","","1.046","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061937","10.6263","0.0005","13.0647","0.0006","16.3339","0.0008","110.403","0.002","104.24","0.002","98.716","0.002","1988.54","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl8 Fe O P2 Pd -","- C38 H34 Cl8 Fe O P2 Pd -","- C76 H68 Cl16 Fe2 O2 P4 Pd2 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0299","0.0249","","","0.0591","0.0613","","","","","","1.053","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061938","11.7264","0.0005","19.7632","0.0008","17.7941","0.0008","90","","98.506","0.002","90","","4078.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 Cl2 Fe O2.5 P2 Pd -","- C35 H52 Cl2 Fe O P2 Pd -","- C140 H208 Cl8 Fe4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.042","0.0384","","","0.0796","0.0823","","","","","","1.076","","","","has coordinates,has disorder","280212","2023-01-06","09:57:26",""
"7061939","10.4175","0.0006","14.4351","0.0007","14.8759","0.0008","62.941","0.002","83.906","0.002","82.033","0.002","1970.55","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cl5 Fe O P2 Pd -","- C35 H40 Cl2 Fe O P2 Pd -","- C70 H80 Cl4 Fe2 O2 P4 Pd2 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0223","0.0201","","","0.0511","0.0522","","","","","","1.093","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061940","10.3654","0.0006","11.5653","0.0007","16.703","0.0011","99.203","0.002","94.117","0.002","113.043","0.002","1798.84","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cl4 Fe O P2 Pd -","- C37 H44 Cl4 Fe O P2 Pd -","- C74 H88 Cl8 Fe2 O2 P4 Pd2 -","2","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0249","0.0217","","","0.0514","0.0526","","","","","","1.051","","","","has coordinates,has disorder","280212","2023-01-06","09:57:26",""
"7061941","6.6326","0.0001","14.9677","0.0003","17.3854","0.0003","77.089","0.001","83.043","0.001","88.819","0.001","1669.87","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 N9 Ni O10 Ru -","- C4 H17 N9 Ni O10 Ru -","- C16 H68 N36 Ni4 O40 Ru4 -","4","2","","Filatov, E. Yu; Borodin, A. O.; Kuratieva, N. V.; Plusnin, P. E.; Urlukov, A. S.; Potemkin, D. I.; Korenev, S. V.; Kostin, G. A.","Synthesis and thermal properties of the heterometallic nickel–ruthenium complex: a potential precursor for catalytically active nanosized Ni–Ru alloy","New Journal of Chemistry","2022","46","39","19009","19017","10.1039/D2NJ03402F","","x-ray","0.71073","MoKα","","0.0476","0.0341","","","0.0693","0.0735","","","","","","1.031","","","","has coordinates,has disorder","279009","2022-11-07","05:39:15",""
"7061942","12.1827","0.0004","12.7262","0.0004","13.4392","0.0004","87.361","0.002","71.886","0.002","80.533","0.002","1953.34","0.11","170.05","","170.05","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H53 F6 O3 P Pd -","- C39 H53 F6 O3 P Pd -","- C78 H106 F12 O6 P2 Pd2 -","2","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","1.34139","GaKα","","0.0413","0.0368","","","0.0911","0.0944","","","","","","1.041","","","","has coordinates,has disorder","280186","2023-01-06","09:51:35",""
"7061943","13.1935","0.0005","11.4522","0.0005","14.0786","0.0006","90","","105.432","0.003","90","","2050.51","0.15","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F6 N2 O Pd -","- C20 H18 F6 N2 O Pd -","- C80 H72 F24 N8 O4 Pd4 -","4","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","1.34139","GaKα","","0.1456","0.0908","","","0.2049","0.2376","","","","","","1.059","","","","has coordinates","280186","2023-01-06","09:51:35",""
"7061944","22.1489","0.0005","22.1489","0.0005","14.1421","0.0003","90","","90","","90","","6937.7","0.3","193","2","193","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C14 H20 F6 N2 O Pd -","- C14 H20 F6 N2 O Pd -","- C224 H320 F96 N32 O16 Pd16 -","16","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","0.71073","MoKα","","0.0193","0.0178","","","0.0412","0.042","","","","","","1.068","","","","has coordinates,has disorder","280186","2023-01-06","09:51:35",""
"7061945","10.3574","0.0002","17.7893","0.0003","27.4578","0.0005","90","","95.576","0.001","90","","5035.19","0.16","169.96","","169.96","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 F3 Fe N P2 Pd -","- C54 H47 F3 Fe N P2 Pd -","- C216 H188 F12 Fe4 N4 P8 Pd4 -","4","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","1.34139","GaKα","","0.0548","0.0415","","","0.1014","0.1087","","","","","","1.016","","","","has coordinates","280186","2023-01-06","09:51:35",""
"7061946","21.6907","0.0005","17.7028","0.0004","22.6847","0.0005","90","","90","","90","","8710.6","0.3","213","2","213","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H39 F6 Fe N O3 P2 Pd S -","- C48 H39 F6 Fe N O3 P2 Pd S -","- C384 H312 F48 Fe8 N8 O24 P16 Pd8 S8 -","8","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","1.34139","GaKα","","0.0456","0.0348","","","0.0844","0.0896","","","","","","1.053","","","","has coordinates,has disorder","280186","2023-01-06","09:51:35",""
"7061947","8.244","0.004","12.956","0.006","15.359","0.008","75.195","0.019","80.54","0.02","77.813","0.017","1539.7","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4''-((E)-4-fluorobenzylidene)-1'-(4-fluorophenyl)-5-nitro-1'',4'',5',6',7',7a'-hexahydro-1'H,3''H-dispiro[indoline-3,3'-pyrrolizine-2',2''-naphthalene]-2,3''-dione","","- C38 H31 F2 N3 O5 -","- C38 H31 F2 N3 O5 -","- C76 H62 F4 N6 O10 -","2","1","","Gazzeh, Houda; Rouatbi, Fadwa; Chniti, Sami; Askri, Moheddine; Knorr, Michael; Strohmann, Carsten; Golz, Christopher; Lamsabhi, Al Mokhtar","Chemoselective and diastereodivergent synthesis of new spirooxindolo-pyrrolizidines and pyrrolidines stemming from unsymmetrical 1,3-bis(arylidene)tetral-2-ones: a combined experimental and theoretical study","New Journal of Chemistry","2022","46","40","19198","19212","10.1039/D2NJ03887K","","","0.71073","MoKα","","0.067","0.047","","","0.116","0.1271","","","","","","1.039","","","","has coordinates,has disorder","279026","2022-11-07","05:47:22",""
"7061948","11.3147","0.0009","11.5393","0.0008","13.8464","0.0009","96.626","0.005","113.842","0.007","92.648","0.006","1633.9","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H26 B Cl F2 N2 O2 -","- C41 H26 B Cl F2 N2 O2 -","- C82 H52 B2 Cl2 F4 N4 O4 -","2","1","","Efimov, Ilya V.; Miftyakhova, Almira R.; Matveeva, Maria D.; Zhilyaev, Dmitry I.; Czulkin, Paweł.; Janasik, Patryk; Talarico, Giovanni; Voskressensky, Leonid G.","Synthesis and photophysical properties of 1,7-aroyl BODIPYs: an experimental and theoretical study","New Journal of Chemistry","2022","46","40","19291","19300","10.1039/D2NJ04237A","","x-ray","0.71073","MoKα","","0.1556","0.0652","","","0.1617","0.2395","","","","","","1.025","","","","has coordinates","279022","2022-11-07","05:43:35",""
"7061949","16.1256","0.0019","7.6341","0.0009","22.805","0.003","90","","92.034","0.008","90","","2805.6","0.6","138","","138","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H20 N8 O9 S Zn2 -","- C28 H20 N8 O9 S Zn2 -","- C112 H80 N32 O36 S4 Zn8 -","4","0.5","","Wang, Jin-Jin; Li, Le-Qian; Zhu, Zi-Hao; Zheng, Teng-Fei; Xu, Hui; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Facile fabrication and luminescence properties of a new ZnII coordination polymer-based fluorescent sensor toward antibiotics","New Journal of Chemistry","2022","46","43","20623","20628","10.1039/D2NJ03797A","","","0.71073","MoKα","","0.0374","0.0296","","","0.0713","0.0765","","","","","","1.0787","","","","has coordinates,has disorder","280184","2023-01-06","09:51:18",""
"7061950","5.632","0.0005","8.3085","0.0007","12.2276","0.0016","85.953","0.009","80.093","0.009","75.863","0.007","546.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C24 H24 N4 O6 -","2","1","","Zhao, Lan; Xu, Jun; Ma, Jun; Yin, Guangwei; Li, Fangyi; Suo, Tongchuan; Wang, Chunhua","Formal [4+1] cyclization of (thio/imido)hydrazides and ethyl 3,3,3-trifluoropropanoate: unified synthesis of 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and 1,2,4-triazoles","New Journal of Chemistry","2022","46","43","20755","20759","10.1039/D2NJ04147B","","x-ray","0.71073","MoKα","","0.0735","0.0544","","","0.1159","0.1323","","","","","","1.047","","","","has coordinates","280183","2023-01-06","09:50:54",""
"7061951","7.7462","0.0004","9.2543","0.0004","10.7494","0.0005","106.819","0.004","100.376","0.004","93.807","0.004","719.78","0.06","300.14","0.1","300.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","","Zhao, Lan; Xu, Jun; Ma, Jun; Yin, Guangwei; Li, Fangyi; Suo, Tongchuan; Wang, Chunhua","Formal [4+1] cyclization of (thio/imido)hydrazides and ethyl 3,3,3-trifluoropropanoate: unified synthesis of 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and 1,2,4-triazoles","New Journal of Chemistry","2022","46","43","20755","20759","10.1039/D2NJ04147B","","x-ray","0.71073","MoKα","","0.0642","0.0392","","","0.099","0.1088","","","","","","1.039","","","","has coordinates","280183","2023-01-06","09:50:54",""
"7061952","8.4347","0.0006","5.167","0.0003","35.992","0.002","90","","92.243","0.005","90","","1567.4","0.17","300.4","0.2","300.4","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zhao, Lan; Xu, Jun; Ma, Jun; Yin, Guangwei; Li, Fangyi; Suo, Tongchuan; Wang, Chunhua","Formal [4+1] cyclization of (thio/imido)hydrazides and ethyl 3,3,3-trifluoropropanoate: unified synthesis of 1,3,4-oxadiazoles, 1,3,4-thiadiazoles and 1,2,4-triazoles","New Journal of Chemistry","2022","46","43","20755","20759","10.1039/D2NJ04147B","","x-ray","0.71073","MoKα","","0.0802","0.0495","","","0.121","0.1339","","","","","","1.02","","","","has coordinates,has disorder","280183","2023-01-06","09:50:54",""
"7061953","10.3206","0.0003","13.2397","0.0003","14.9915","0.0003","85.44","0.002","74.635","0.002","72.764","0.003","1886.54","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 F12 Fe N4 O8 -","- C38 H26 F12 Fe N4 O8 -","- C76 H52 F24 Fe2 N8 O16 -","2","1","","Lane, Jakob D. E.; Greenwood, William J. H.; Day, Victor W.; Jolliffe, Katrina A.; Bowman-James, Kristin; Adriaenssens, Louis","Bis[squaramido]ferrocenes as electrochemical sulfate receptors","New Journal of Chemistry","2022","46","38","18119","18123","10.1039/D2NJ03951F","","x-ray","1.54184","CuKα","","0.0347","0.0327","","","0.0878","0.0893","","","","","","1.059","","","","has coordinates,has disorder","278345","2022-10-05","00:27:17",""
"7061954","7.459","0.004","7.598","0.003","31.724","0.013","90","","90","","90","","1797.9","1.4","430","2","430","2","","","","","","","","6","F m m m","-F 2 2","69","","","","- C10 H16 Cd Cl4 N2 S2 -","- C10 H15.5 Cd Cl4 N2 S2 -","- C40 H62 Cd4 Cl16 N8 S8 -","4","0.125","","Han, Li-Jun; Liu, Jia; Shao, Ting; Jia, Qiang-Qiang; Su, Chang-Yuan; Fu, Da-Wei; Lu, Hai-Feng","A Cd-based perovskite with optical-electrical multifunctional response","New Journal of Chemistry","2022","46","37","17928","17933","10.1039/D2NJ03330E","","","0.71073","MoKα","","0.1397","0.138","","","0.3462","0.3469","","","","","","1.025","","","","has coordinates,has disorder","278378","2022-10-06","06:37:34",""
"7061955","7.5349","0.0007","7.3677","0.0007","31.746","0.003","90","","90","","90","","1762.4","0.3","303","2","303","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cd Cl4 N2 S2 -","- C10 H16 Cd Cl4 N2 S2 -","- C40 H64 Cd4 Cl16 N8 S8 -","4","0.5","","Han, Li-Jun; Liu, Jia; Shao, Ting; Jia, Qiang-Qiang; Su, Chang-Yuan; Fu, Da-Wei; Lu, Hai-Feng","A Cd-based perovskite with optical-electrical multifunctional response","New Journal of Chemistry","2022","46","37","17928","17933","10.1039/D2NJ03330E","","","0.71073","MoKα","","0.1088","0.0689","","","0.1724","0.2653","","","","","","1.177","","","","has coordinates","278378","2022-10-06","06:37:34",""
"7061956","7.7965","0.0001","18.2667","0.0002","11.3714","0.0001","90","","91.614","0.001","90","","1618.83","0.03","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H23 Br N2 -","- C18 H23 Br N2 -","- C72 H92 Br4 N8 -","4","1","","Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.","Dialkylamino and trialkylammonium groups in close proximity: intra- and intermolecular ways of formation, structural consequences, and properties. A case of metal-free directed ortho alkylation","New Journal of Chemistry","2022","46","36","17140","17144","10.1039/D2NJ02653H","","x-ray","1.54184","CuKα","","0.0139","0.0139","","","0.0359","0.036","","","","","","1.111","","","","has coordinates","278379","2022-10-06","06:41:29",""
"7061957","11.9603","0.0001","9.8889","0.0001","27.948","0.0002","90","","93.063","0.001","90","","3300.81","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 I N2 -","- C17 H23 I N2 -","- C136 H184 I8 N16 -","8","2","","Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.","Dialkylamino and trialkylammonium groups in close proximity: intra- and intermolecular ways of formation, structural consequences, and properties. A case of metal-free directed ortho alkylation","New Journal of Chemistry","2022","46","36","17140","17144","10.1039/D2NJ02653H","","x-ray","1.54184","CuKα","","0.0362","0.0343","","","0.0978","0.0993","","","","","","1.068","","","","has coordinates","278379","2022-10-06","06:41:33",""
"7061958","9.7812","0.0001","10.3437","0.0001","17.7597","0.0002","90","","95.106","0.001","90","","1789.69","0.03","293","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,1'-(2-Methylnaphthalene-1,8-diyl)dipyrrolidine hydrogen tetrafluoroborate","","","- C19 H25 B F4 N2 -","- C19 H25 B F4 N2 -","- C76 H100 B4 F16 N8 -","4","1","","Kolupaeva, Ekaterina V.; Ozeryanskii, Valery A.","Dialkylamino and trialkylammonium groups in close proximity: intra- and intermolecular ways of formation, structural consequences, and properties. A case of metal-free directed ortho alkylation","New Journal of Chemistry","2022","46","36","17140","17144","10.1039/D2NJ02653H","","x-ray","1.54184","CuKα","","0.0407","0.0384","","","0.1024","0.1044","","","","","","1.046","","","","has coordinates,has disorder","278379","2022-10-06","06:41:37",""
"7061959","13.3131","0.001","14.5026","0.0009","22.9969","0.0016","90","","90","","90","","4440.1","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cu N3 O5 S -","- C24 H19 Cu N3 O5 S -","- C192 H152 Cu8 N24 O40 S8 -","8","1","","Gaur, Ruchi; Kallem, Parashuram","Structural and theoretical study of copper(ii) complex incorporating chalcone and 2,2′-bipyridine mixed ligands: a probable candidate for optical material","New Journal of Chemistry","2022","46","42","20366","20376","10.1039/D2NJ02988J","","","0.71073","MoKα","","0.0671","0.0362","","","0.0823","0.088","","","","","","0.859","","","","has coordinates,has disorder","279006","2022-11-07","05:38:29",""
"7061960","9.5425","0.0006","11.4283","0.0007","14.5168","0.0009","89.121","0.004","78.84","0.003","88.99","0.003","1552.83","0.17","105","","105","","","","","","","","","4","P -1","-P 1","2","","'N,N,N-Triheptyl-butan-1-aminium (T-4)-(cyano-[kappa]C)tri-hydro-borate'","","- C29 H63 B N2 -","- C29 H63 B N2 -","- C58 H126 B2 N4 -","2","1","","Pialat, Amélie; Kitos, Alexandros A.; Witkowski, Tomasz G.; Cook, Cyril; Wang, Shiliang; Hu, Anguang; Murugesu, Muralee","Achieving short ignition delay and high specific impulse with cyanoborohydride-based hypergolic ionic liquids","New Journal of Chemistry","2022","46","44","21212","21220","10.1039/D2NJ03372K","","x-ray","1.34139","GaKα","","0.1901","0.086","","","0.2019","0.2513","","","","","","1.031","","","","has coordinates","280178","2023-01-06","09:49:54",""
"7061961","10.86","","18.909","","14.779","","90","","92.13","","90","","3032.8","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H7 Cu2 N0 O11 -","- C16 H7 Cu2 O11 -","- C64 H28 Cu8 O44 -","4","1","","Li, Junyan; Zhu, Mingchang; Zhang, Ying; Gao, Enjun; Wu, Shuangyan","A new visual and stable fluorescent Cu-MOF as a dual-function sensor for glyphosate and Cr2O72−","New Journal of Chemistry","2022","46","41","19808","19816","10.1039/D2NJ03186H","","","0.71073","MoKα","","0.2282","0.1448","","","0.277","0.2983","","","","","","1.217","","","","has coordinates,has disorder","278994","2022-11-07","05:34:58",""
"7061962","5.7797","0.0004","6.3309","0.0005","12.8187","0.001","76.647","0.002","78.32","0.002","74.621","0.002","435.01","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 N2 O6 S -","- C4 H12 N2 O6 S -","- C8 H24 N4 O12 S2 -","2","1","","Lesnikov, Vladislav K.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu.","Piperazine-1,4-diol (PipzDiol): synthesis, stereodynamics and assembly of supramolecular hydrogen-bonded 2D networks","New Journal of Chemistry","2022","46","42","20386","20394","10.1039/D2NJ03012H","","","0.71073","MoKα","","0.0432","0.0358","","","0.0862","0.0912","","","","","","1.042","","","","has coordinates","279003","2022-11-07","05:37:26",""
"7061963","10.6399","0.0001","8.4978","0.0001","11.9337","0.0001","90","","116.019","0.002","90","","969.64","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","","Lesnikov, Vladislav K.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu.","Piperazine-1,4-diol (PipzDiol): synthesis, stereodynamics and assembly of supramolecular hydrogen-bonded 2D networks","New Journal of Chemistry","2022","46","42","20386","20394","10.1039/D2NJ03012H","","x-ray","1.54184","CuKα","","0.0435","0.0427","","","0.1176","0.1184","","","","","","1.062","","","","has coordinates","279003","2022-11-07","05:37:26",""
"7061964","9.5418","0.0001","9.7604","0.0001","10.1531","0.0001","90","","97.018","0.001","90","","938.492","0.017","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H13.8 N2 O6.9 -","- C6 H13.802 N2 O6.901 -","- C24 H55.208 N8 O27.604 -","4","1","","Lesnikov, Vladislav K.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu.","Piperazine-1,4-diol (PipzDiol): synthesis, stereodynamics and assembly of supramolecular hydrogen-bonded 2D networks","New Journal of Chemistry","2022","46","42","20386","20394","10.1039/D2NJ03012H","","x-ray","1.54184","CuKα","","0.0334","0.0329","","","0.0918","0.0921","","","","","","1.095","","","","has coordinates,has disorder","279003","2022-11-07","05:37:26",""
"7061965","7.5127","0.0004","9.5403","0.0005","14.8625","0.0007","95.201","0.004","95.657","0.004","92.809","0.004","1053.89","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl N3 O4 -","- C25 H18 Cl N3 O4 -","- C50 H36 Cl2 N6 O8 -","2","1","","Ma, Huifang; Liang, Jie; Ablajan, Keyume","One-pot synthesis of multisubstituted spirocyclopropanes mediated by α-picoline","New Journal of Chemistry","2022","46","41","19857","19862","10.1039/D2NJ04102B","","x-ray","0.71073","MoKα","","0.06","0.0457","","","0.093","0.1024","","","","","","1.024","","","","has coordinates","279000","2022-11-07","05:35:52",""
"7061966","7.0127","0.0004","10.5218","0.0006","14.9131","0.0008","78.549","0.005","83.673","0.005","76.958","0.005","1048.19","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br2 N O3 -","- C25 H17 Br2 N O3 -","- C50 H34 Br4 N2 O6 -","2","1","","Ma, Huifang; Liang, Jie; Ablajan, Keyume","One-pot synthesis of multisubstituted spirocyclopropanes mediated by α-picoline","New Journal of Chemistry","2022","46","41","19857","19862","10.1039/D2NJ04102B","","x-ray","0.71073","MoKα","","0.0383","0.0317","","","0.0674","0.0705","","","","","","1.039","","","","has coordinates","279000","2022-11-07","05:35:55",""
"7061967","19.4807","0.0004","19.4807","0.0004","9.7","0.0003","90","","90","","120","","3187.95","0.14","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","asa252","","","- C48 H54 O6 Pb2 -","- C48 H54 O6 Pb2 -","- C144 H162 O18 Pb6 -","3","0.166667","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0305","0.0248","","","0.0449","0.0461","","","","","","1.086","","","","has coordinates","279004","2022-11-07","05:37:39",""
"7061968","15.3196","0.0005","9.3828","0.0003","16.3438","0.0005","90","","117.143","0.001","90","","2090.55","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","asa267","","","- C22 H30 O2 Pb -","- C22 H30 O2 Pb -","- C88 H120 O8 Pb4 -","4","1","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0155","0.014","","","0.0304","0.0308","","","","","","1.145","","","","has coordinates","279004","2022-11-07","05:37:49",""
"7061969","11.6637","0.0005","16.6181","0.0006","12.2153","0.0005","90","","117.657","0.001","90","","2097.15","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ASA268","","","- C22 H30 O2 Pb -","- C22 H30 O2 Pb -","- C88 H120 O8 Pb4 -","4","1","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0336","0.0248","","","0.0462","0.0489","","","","","","1.049","","","","has coordinates","279004","2022-11-07","05:37:58",""
"7061970","9.1889","0.0003","13.3757","0.0005","13.3852","0.0005","108.654","0.001","109.648","0.001","101.342","0.001","1380.02","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","asa256b","","","- C60 H78 O6 Pb2 -","- C60 H78 O6 Pb2 -","- C60 H78 O6 Pb2 -","1","0.5","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0185","0.0156","","","0.0336","0.0344","","","","","","1.058","","","","has coordinates,has disorder","279004","2022-11-07","05:38:09",""
"7061971","19.1067","0.0008","17.7692","0.0008","19.638","0.0009","90","","109.191","0.001","90","","6296.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","asa267bp","","","- C264 H360 O24 Pb8 -","- C264 H360 O24 Pb8 -","- C264 H360 O24 Pb8 -","1","0.25","","Someşan, Adrian-Alexandru; Varga, Richard A.","Diaryllead(ii) species stabilized by C,O-chelating ligands","New Journal of Chemistry","2022","46","42","20074","20077","10.1039/D2NJ03796C","","","0.71073","MoKα","","0.0442","0.0361","","","0.0822","0.0856","","","","","","1.089","","","","has coordinates,has disorder","279004","2022-11-07","05:38:12",""
"7061972","24.198","0.005","15.541","0.003","15.939","0.003","90","","96.314","0.004","90","","5958","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Eu N2 O7 -","- C36 H22 Eu N2 O7 -","- C288 H176 Eu8 N16 O56 -","8","1","","Chen, Mingyu; Wang, Ming; Liu, Cheng; Yang, Tao; Zhou, Xinhui; You, Yujian","A reusable fluorescence Eu-based coordination polymer for the detection of Zr4+ ions in aqueous media","New Journal of Chemistry","2022","46","41","19991","19996","10.1039/D2NJ03658D","","","0.71073","MoKα","","0.0413","0.0307","","","0.1091","0.1357","","","","","","1.022","","","","has coordinates","278997","2022-11-07","05:35:34",""
"7061973","12.7784","0.0015","10.4451","0.0012","15.3432","0.0018","90","","104.358","0.001","90","","1983.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 B N2 O2 -","- C24 H21 B N2 O2 -","- C96 H84 B4 N8 O8 -","4","1","","Fumoto, Takuma; Imato, Keiichi; Ooyama, Yousuke","Elucidation of a detection mechanism of a fluorescent sensor based on photo-induced electron transfer for water","New Journal of Chemistry","2022","46","44","21037","21046","10.1039/D2NJ04153G","","","0.71073","MoKa","","0.0534","0.0426","","","0.0975","0.1045","","","","","","0.979","","","","has coordinates","280181","2023-01-06","09:50:30",""
"7061974","8.56","0.002","9.99","0.003","19.214","0.005","90","","91.846","0.005","90","","1642.2","0.8","293.15","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cu2 N2 Na O12 -","- C14 H9 Cu2 N2 Na O12 -","- C56 H36 Cu8 N8 Na4 O48 -","4","1","","Lu, Ying-Bing; Lin, Xue-Lian; Ai, Jia-Hao; Cai, Yu-Zheng; Li, Shui-Qing; Li, Rong; Zhang, Shi-Yong; Xie, Yong-Rong; Zhu, Shui-Dong","Proton conductivity studies on two non-porous coordination complexes with different proton densities","New Journal of Chemistry","2022","46","46","22088","22097","10.1039/D2NJ04435H","","","0.71","MoKα","","0.0283","0.0268","","","0.0668","0.0676","","","","","","1.105","","","","has coordinates","280194","2023-01-06","09:53:14",""
"7061975","16.2976","0.0004","7.7839","0.0002","22.6791","0.0005","90","","100.481","0.001","90","","2829.04","0.12","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","0.5(C26 H18 Mn2 N10 O10)","","","- C13 H9 Mn N5 O5 -","- C13 H9 Mn N5 O5 -","- C104 H72 Mn8 N40 O40 -","8","2","","Lu, Ying-Bing; Lin, Xue-Lian; Ai, Jia-Hao; Cai, Yu-Zheng; Li, Shui-Qing; Li, Rong; Zhang, Shi-Yong; Xie, Yong-Rong; Zhu, Shui-Dong","Proton conductivity studies on two non-porous coordination complexes with different proton densities","New Journal of Chemistry","2022","46","46","22088","22097","10.1039/D2NJ04435H","","","0.71073","MoKα","","0.0338","0.0271","","","0.0673","0.0709","","","","","","1.033","","","","has coordinates","280194","2023-01-06","09:53:17",""
"7061976","9.534","0.008","13.267","0.01","14.527","0.014","90","","101.96","0.03","90","","1798","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Cu N3 O S -","- C17 H15 Br Cu N3 O S -","- C68 H60 Br4 Cu4 N12 O4 S4 -","4","1","","Thennarasu, Abinaya Sushana; Mohammed, Thasnim P.; Sankaralingam, Muniyandi","Mononuclear copper(ii) Schiff base complexes as effective models for phenoxazinone synthase","New Journal of Chemistry","2022","46","45","21684","21694","10.1039/D2NJ03934F","","","0.71073","MoKα","","0.0581","0.0393","","","0.0929","0.1014","","","","","","1.023","","","","has coordinates","280214","2023-01-06","09:57:44",""
"7061977","7.1933","0.0004","17.2296","0.0012","11.4006","0.0006","90","","106.909","0.006","90","","1351.88","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Li, Hongjun; Tang, Dong; Iqbal, Zafar; Wan, Yaya; Jiang, Rui; Yang, Zhixiang; Yang, Jinhui","Electrochemically promoted annulation of aldehydes and carbazates: access to 2-alkoxy/aryloxy-5-substituted 1,3,4-oxadiazole and 1,3,4-oxadiazol-2(3H)-one derivatives","New Journal of Chemistry","2022","46","42","20347","20353","10.1039/D2NJ04113H","","x-ray","1.54184","CuKα","","0.0696","0.0622","","","0.1664","0.1738","","","","","","1.078","","","","has coordinates","279005","2022-11-07","05:38:22",""
"7061978","6.6879","0.0007","8.0843","0.0009","9.8873","0.0011","93.253","0.004","106.352","0.004","100.812","0.004","500.43","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 N3 O -","- C13 H7 N3 O -","- C26 H14 N6 O2 -","2","1","","Kumar, Loveneesh; Verma, Nishant; Kumar, Neeraj; Sehrawat, Hitesh; Kumar, Rupesh; Chandra, Ramesh","Microwave-assisted catalyst-free multicomponent one-pot green synthesis of highly functionalized aminocyanopyridines and (4-hydroxy)quinolines in aqueous medium and its in silico studies","New Journal of Chemistry","2022","46","43","20580","20591","10.1039/D2NJ03933H","","","0.71073","MoKα","","0.1003","0.057","","","0.1457","0.1721","","","","","","1.048","","","","has coordinates","280188","2023-01-06","09:51:53",""
"7061979","8.7152","0.0018","20.968","0.004","14.998","0.003","90","","95.645","0.006","90","","2727.4","0.9","147.06","","147.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl6 Fe2 N6 -","- C24 H16 Cl6 Fe2 N6 -","- C96 H64 Cl24 Fe8 N24 -","4","0.5","","Zhang, Xiamei; He, Chengying; Yang, Xiaohan; Zhang, Qian; Li, Yahong; Yao, Jinlei","FeII, CoII and NiII complexes based on 1-chloro-3-(pyridin-2-yl)imidazo[1,5-a]pyridine: synthesis, structures, single-molecule magnetic and electrocatalytic properties","New Journal of Chemistry","2022","46","45","21780","21787","10.1039/D2NJ03328C","","","0.71073","MoKα","","0.0504","0.0395","","","0.1065","0.1192","","","","","","1.056","","","","has coordinates","280215","2023-01-06","09:57:54",""
"7061980","17.4101","0.0012","11.5808","0.0007","15.8049","0.0016","90","","121.604","0.002","90","","2714","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 Cl6 N6 Ni -","- C25 H18 Cl6 N6 Ni -","- C100 H72 Cl24 N24 Ni4 -","4","0.5","","Zhang, Xiamei; He, Chengying; Yang, Xiaohan; Zhang, Qian; Li, Yahong; Yao, Jinlei","FeII, CoII and NiII complexes based on 1-chloro-3-(pyridin-2-yl)imidazo[1,5-a]pyridine: synthesis, structures, single-molecule magnetic and electrocatalytic properties","New Journal of Chemistry","2022","46","45","21780","21787","10.1039/D2NJ03328C","","","0.71073","MoKα","","0.0401","0.0317","","","0.0743","0.0783","","","","","","1.067","","","","has coordinates","280215","2023-01-06","09:57:56",""
"7061981","8.7127","0.0008","20.894","0.003","14.9049","0.0016","90","","95.186","0.01","90","","2702.2","0.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl6 Co2 N6 -","- C24 H16 Cl6 Co2 N6 -","- C96 H64 Cl24 Co8 N24 -","4","0.5","","Zhang, Xiamei; He, Chengying; Yang, Xiaohan; Zhang, Qian; Li, Yahong; Yao, Jinlei","FeII, CoII and NiII complexes based on 1-chloro-3-(pyridin-2-yl)imidazo[1,5-a]pyridine: synthesis, structures, single-molecule magnetic and electrocatalytic properties","New Journal of Chemistry","2022","46","45","21780","21787","10.1039/D2NJ03328C","","","0.71073","MoKα","","0.0759","0.0428","","","0.0622","0.0749","","","","","","1.004","","","","has coordinates","280215","2023-01-06","09:57:57",""
"7061982","9.2405","0.0006","10.8311","0.0008","13.7741","0.0008","93.965","0.002","95.341","0.002","114.128","0.002","1243.93","0.14","200","2","200","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Br2 N S2 -","- C30 H19 Br2 N S2 -","- C60 H38 Br4 N2 S4 -","2","1","","Yang, Mingxue; Wang, Pei; Chen, Xu-Lin; Lu, Can-Zhong","Highly efficient ultralong organic phosphorescence induced by lone pair repulsions and noncovalent interactions","New Journal of Chemistry","2022","46","43","20723","20728","10.1039/D2NJ02414D","","","0.71073","MoKα","","0.0655","0.0413","","","0.0928","0.1044","","","","","","1.043","","","","has coordinates","280185","2023-01-06","09:51:22",""
"7061983","8.879","0.0018","17.29","0.004","28.075","0.006","90","","90","","90","","4310","1.6","220","2","220","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Suresh, Pavithira; Prasanna Kumari, Subramaniyan; Krishna Reddy, Singarajanahalli Mundarinti; Anthony, Savarimuthu Philip; Thamotharan, Subbiah; Selva Ganesan, Subramaniapillai","Radical directed regioselective functionalization of diverse alkene derivatives","New Journal of Chemistry","2022","","","","","10.1039/D2NJ02824G","","","0.63","synchrotron","","0.0856","0.0682","","","0.2153","0.2302","","","","","","1.0419","","","","has coordinates,has disorder","278761","2022-10-25","00:48:27",""
"7061984","7.4403","0.0001","11.522","0.0002","14.0179","0.0002","90","","93.669","0.001","90","","1199.25","0.03","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br0.25 Cl N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0265","0.0256","","","0.0677","0.0683","","","","","","1.037","","","","has coordinates","278763","2022-10-25","00:51:09",""
"7061985","7.4982","0.0001","11.5476","0.0002","14.0374","0.0002","90","","93.869","0.001","90","","1212.68","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 O3 -","- C13 H8 Br N2 O3 -","- C52 H32 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0329","0.0314","","","0.087","0.0881","","","","","","1.091","","","","has coordinates","278763","2022-10-25","00:51:15",""
"7061986","7.5309","0.0001","11.558","0.0002","14.0459","0.0002","90","","94.004","0.001","90","","1219.6","0.03","239.99","0.1","239.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0403","0.0378","","","0.1017","0.1033","","","","","","1.048","","","","has coordinates","278763","2022-10-25","00:51:33",""
"7061987","7.5635","0.0002","11.5743","0.0003","14.0536","0.0003","90","","94.109","0.002","90","","1227.12","0.05","269.99","0.1","269.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0385","0.0349","","","0.0936","0.0964","","","","","","1.055","","","","has coordinates","278763","2022-10-25","00:51:42",""
"7061988","7.5995","0.0001","11.5868","0.0002","14.0731","0.0002","90","","94.247","0.001","90","","1235.79","0.03","299.95","0.13","299.95","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0388","0.0367","","","0.1027","0.1046","","","","","","1.077","","","","has coordinates","278763","2022-10-25","00:52:07",""
"7061989","7.4688","0.0001","11.5368","0.0002","14.0272","0.0002","90","","93.764","0.001","90","","1206.06","0.03","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0384","0.0369","","","0.1023","0.1034","","","","","","1.085","","","","has coordinates","278763","2022-10-25","00:52:25",""
"7061990","14.6708","0.0002","3.7471","0.0001","21.4612","0.0003","90","","92.028","0.002","90","","1179.05","0.04","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0396","0.0366","","","0.1006","0.103","","","","","","1.078","","","","has coordinates","278763","2022-10-25","00:53:10",""
"7061991","14.6564","0.0003","3.7374","0.0001","21.4431","0.0004","90","","92.109","0.002","90","","1173.79","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N2 O3 -","- C13 H8 Cl N2 O3 -","- C52 H32 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0495","0.0464","","","0.1333","0.1364","","","","","","1.088","","","","has coordinates","278763","2022-10-25","00:53:50",""
"7061992","14.6907","0.0002","3.75723","0.00005","21.4853","0.0003","90","","91.9844","0.0013","90","","1185.2","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0389","0.0352","","","0.0929","0.0956","","","","","","1.074","","","","has coordinates","278763","2022-10-25","00:55:06",""
"7061993","14.7251","0.0003","3.7787","0.0001","21.5304","0.0003","90","","91.869","0.002","90","","1197.35","0.04","269.99","0.1","269.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N2 O3 -","- C13 H8 Cl N2 O3 -","- C52 H32 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.1217","0.1263","","","","","","1.062","","","","has coordinates","278763","2022-10-25","00:56:04",""
"7061994","14.3244","0.0003","6.5885","0.0001","14.1537","0.0003","90","","107.249","0.002","90","","1275.7","0.04","141","2","141","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.0447","0.0403","","","0.1173","0.1195","","","","","","1.112","","","","has coordinates","278763","2022-10-25","00:56:51",""
"7061995","14.7034","0.0003","3.7661","0.0001","21.5036","0.0004","90","","91.924","0.002","90","","1190.08","0.05","240","0.1","240","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0416","0.0362","","","0.1003","0.1045","","","","","","1.08","","","","has coordinates","278763","2022-10-25","00:57:53",""
"7061996","14.3165","0.0004","6.5939","0.0002","14.1523","0.0004","90","","107.224","0.003","90","","1276.09","0.07","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.046","0.0403","","","0.1185","0.1205","","","","","","1.208","","","","has coordinates","278763","2022-10-25","00:58:33",""
"7061997","14.3145","0.0004","6.622","0.0002","14.1681","0.0004","90","","107.166","0.003","90","","1283.18","0.07","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.0438","0.0403","","","0.1224","0.1241","","","","","","1.162","","","","has coordinates","278763","2022-10-25","00:59:12",""
"7061998","14.3133","0.0003","6.6574","0.0001","14.184","0.0003","90","","107.075","0.002","90","","1292.01","0.05","210","2","210","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.0479","0.0428","","","0.1372","0.1397","","","","","","1.204","","","","has coordinates","278763","2022-10-25","00:59:41",""
"7061999","14.3118","0.0004","6.6925","0.0002","14.1987","0.0003","90","","106.993","0.003","90","","1300.6","0.06","240","2","240","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.0616","0.056","","","0.1475","0.1495","","","","","","1.214","","","","has coordinates","278763","2022-10-25","01:00:10",""
"7062000","14.3128","0.0006","6.7327","0.0002","14.2071","0.0005","90","","106.952","0.004","90","","1309.56","0.09","270","2","270","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","","1.54184","CuKα","","0.0763","0.064","","","0.1574","0.1616","","","","","","1.261","","","","has coordinates","278763","2022-10-25","01:00:36",""
"7062001","14.3168","0.0006","6.7716","0.0003","14.232","0.0005","90","","106.79","0.004","90","","1320.94","0.1","299.97","0.12","299.97","0.12","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H4 F1.5 N O1.5 -","- C7 H4.5 F1.5 N O1.5 -","- C56 H36 F12 N8 O12 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0728","0.0655","","","0.2135","0.2377","","","","","","1.183","","","","has coordinates","278763","2022-10-25","01:00:54",""
"7062002","6.3334","0.0009","23.683","0.003","7.8211","0.001","90","","93.769","0.005","90","","1170.6","0.3","298","2","298","2","","","","","","","Synthesised","4","P 1 21/n 1","-P 2yn","14","5-nitrosalicylaldehyde-o-aminophenol","2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.1486","0.0885","","","0.2445","0.3586","","","","","","1.198","","","","has coordinates","278763","2022-10-25","01:00:58",""
"7062003","26.121","0.003","7.0281","0.0007","15.8739","0.0017","90","","111.639","0.004","90","","2708.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-nitrosalicylaldehyde-o-anisidine","2-((E)-(2-methoxyphenyliminio)methyl)-4-nitrophenolate","","- C14 H14 N2 O6 -","- C14 H14 N2 O5 -","- C112 H112 N16 O40 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.1247","0.0572","","","0.1502","0.2331","","","","","","1.058","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062004","14.6564","0.0003","3.7374","0.0001","21.4431","0.0004","90","","92.109","0.002","90","","1173.79","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-nitro-N-[3-(chloro)phenyl]salicylaldimine","2-((E)-(3-chlorophenylimino)methyl-4-nitrophenol","","- C13 H8 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0468","0.0437","","","0.1234","0.1264","","","","","","1.088","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062005","26.0543","0.0014","6.9252","0.0004","15.7729","0.0009","90","","111.788","0.002","90","","2642.6","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-nitrosalicylaldehyde-o-anisidine","2-((E)-(2-methoxyphenyliminio)methyl)-4-nitrophenolate","","- C14 H14 N2 O6 -","- C14 H14 N2 O5 -","- C112 H112 N16 O40 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.1179","0.0607","","","0.1506","0.2317","","","","","","1.022","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062006","14.0746","0.0008","13.9715","0.0007","6.1944","0.0004","90","","95.289","0.002","90","","1212.9","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-nitrosalicylaldehyde-p-toluidine","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.1151","0.0622","","","0.1566","0.2187","","","","","","1.02","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062007","14.095","0.006","14.225","0.006","6.247","0.003","90","","95.355","0.017","90","","1247.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-nitrosalicylaldehyde-p-toluidine","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.1238","0.0658","","","0.1542","0.2363","","","","","","0.86","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062008","14.743","0.0005","3.7894","0.001","21.5528","0.0007","90","","91.845","0.003","90","","1203.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-nitro-N-[3-(chloro)phenyl]salicylaldimine","2-((E)-(3-chlorophenylimino)methyl-4-nitrophenol","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","","","","","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0503","0.0395","","","0.1063","0.1159","","","","","","1.047","","","","has coordinates","278763","2022-10-25","01:01:00",""
"7062009","15.5619","0.0006","12.6968","0.0009","17.5458","0.0008","90","","90","","90","","3466.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.1724","0.125","","","0.2978","0.3596","","","","","","1.122","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062010","8.6028","0.0001","10.1258","0.0001","17.0368","0.0003","90","","100.558","0.002","90","","1458.95","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.0613","0.0448","","","0.13","0.1509","","","","","","1.137","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062011","18.5957","0.0003","11.1708","0.0002","18.5559","0.0003","90","","97.671","0.002","90","","3820.1","0.11","298","2","298","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.0907","0.0466","","","0.1385","0.1909","","","","","","1.198","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062012","13.1254","0.0004","8.6237","0.0003","14.955","0.0004","90","","92.728","0.003","90","","1690.83","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.1262","0.099","","","0.2701","0.3273","","","","","","1.084","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062013","13.3483","0.0003","14.7869","0.0004","20.1111","0.001","90","","90","","90","","3969.5","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.1042","0.0723","","","0.1973","0.2462","","","","","","1.069","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062014","11.967","0.003","20.063","0.004","23.56","0.004","90","","90","","90","","5657","2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C48 H54 Co2 N6 Ni2 O12 S2 -","- C48 H54 Co2 N6 Ni2 O12 S2 -","- C192 H216 Co8 N24 Ni8 O48 S8 -","4","0.5","","Das, Manik; Das, Mainak; Ray, Subham; Das, Uttam Kumar; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi","Synthesis and crystal structures of two tri- and tetra-heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes from two different Ni(ii)-containing metalloligands: effective catalytic oxidase activity and Schottky device approach","New Journal of Chemistry","2022","46","44","21103","21114","10.1039/D2NJ03535A","","","0.71073","MoKα","","0.0751","0.0385","","","0.0749","0.0932","","","","","","1.035","","","","has coordinates,has disorder","280179","2023-01-06","09:50:03",""
"7062015","11.3701","0.0011","11.5248","0.0011","21.086","0.002","93.6113","0.0013","96.2193","0.0013","112.954","0.0013","2512.5","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Mn N6 Ni2 O8 S2 -","- C47.9999 H55.9997 Mn N6 Ni2 O8 S2 -","- C95.9998 H111.999 Mn2 N12 Ni4 O16 S4 -","2","1","","Das, Manik; Das, Mainak; Ray, Subham; Das, Uttam Kumar; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi","Synthesis and crystal structures of two tri- and tetra-heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes from two different Ni(ii)-containing metalloligands: effective catalytic oxidase activity and Schottky device approach","New Journal of Chemistry","2022","46","44","21103","21114","10.1039/D2NJ03535A","","","0.71073","MoKα","","0.0806","0.0439","","","0.0933","0.1085","","","","","","1.03","","","","has coordinates,has disorder","280179","2023-01-06","09:50:03",""
"7062016","21.0879","0.0011","21.1652","0.001","32.4886","0.0012","90","","95.537","0.004","90","","14433","1.2","108","7","108.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H67 Cl8 N9 P2 -","- C80 H67 Cl8 N9 P2 -","- C640 H536 Cl64 N72 P16 -","8","1","","Faraonov, Maxim A.; Osipov, Nikita G.; Romanenko, Nikita R.; Kuzmin, Alexey V.; Kornev, Alexey B.; Stuzhin, Pavel A.; Khasanov, Salavat S.; Konarev, Dmitri V.","Crystalline salts of anionic free-base tetrapyrazinoporphyrazines with alkyl-substituents or an extended π-electron system","New Journal of Chemistry","2022","46","46","22195","22202","10.1039/D2NJ04578H","","","0.71073","MoKα","","0.2478","0.1805","","","0.3983","0.4348","","","","","","1.097","","","","has coordinates","280189","2023-01-06","09:52:25",""
"7062017","14.2695","0.0006","20.308","0.0008","20.3344","0.0008","98.685","0.003","110.185","0.004","103.628","0.003","5197.8","0.4","102","3","101.15","","","","","","","","","6","P -1","-P 1","2","","","","- C120 H90 Cl10 K N18 O6 -","- C120 H90 Cl10 K N18 O6 -","- C240 H180 Cl20 K2 N36 O12 -","2","1","","Faraonov, Maxim A.; Osipov, Nikita G.; Romanenko, Nikita R.; Kuzmin, Alexey V.; Kornev, Alexey B.; Stuzhin, Pavel A.; Khasanov, Salavat S.; Konarev, Dmitri V.","Crystalline salts of anionic free-base tetrapyrazinoporphyrazines with alkyl-substituents or an extended π-electron system","New Journal of Chemistry","2022","46","46","22195","22202","10.1039/D2NJ04578H","","","0.71073","MoKα","","0.129","0.0823","","","0.1693","0.1919","","","","","","1.066","","","","has coordinates,has disorder","280189","2023-01-06","09:52:25",""
"7062018","21.5316","0.001","20.3754","0.0007","32.1634","0.0013","90","","95.265","0.004","90","","14051","1","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74.21 H57.81 Cl7.4 N9 P2 -","- C74.206 H57.804 Cl7.402 N9 P2 -","- C593.648 H462.432 Cl59.216 N72 P16 -","8","1","","Faraonov, Maxim A.; Osipov, Nikita G.; Romanenko, Nikita R.; Kuzmin, Alexey V.; Kornev, Alexey B.; Stuzhin, Pavel A.; Khasanov, Salavat S.; Konarev, Dmitri V.","Crystalline salts of anionic free-base tetrapyrazinoporphyrazines with alkyl-substituents or an extended π-electron system","New Journal of Chemistry","2022","46","46","22195","22202","10.1039/D2NJ04578H","","x-ray","0.71073","MoKα","","0.2059","0.1047","","","0.2479","0.3012","","","","","","1.038","","","","has coordinates,has disorder","280189","2023-01-06","09:52:25",""
"7062019","3.9191","0.0006","3.9191","0.0006","20.708","0.005","90","","90","","120","","275.45","0.09","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Na Sc Se2 -","- Na Sc Se2 -","- Na3 Sc3 Se6 -","3","0.0833333","","Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ghosh, Arghya; Niranjan, Manish K.; Prakash, Jai","Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)","New Journal of Chemistry","2022","46","46","22076","22087","10.1039/D2NJ04783G","","","0.71073","MoKα","","0.0176","0.0168","","","0.0425","0.0427","","","","","","1.24","","","","has coordinates","280191","2023-01-06","09:52:39",""
"7062020","4.2217","0.0006","4.2217","0.0006","22.5344","0.0014","90","","90","","120","","347.82","0.07","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Na Sc Te2 -","- Na Sc Te2 -","- Na3 Sc3 Te6 -","3","0.0833333","","Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ghosh, Arghya; Niranjan, Manish K.; Prakash, Jai","Syntheses and characterization of two new layered ternary chalcogenides NaScQ2 (Q = Se and Te)","New Journal of Chemistry","2022","46","46","22076","22087","10.1039/D2NJ04783G","","","0.71073","MoKα","","0.0771","0.0456","","","0.0969","0.1034","","","","","","1.202","","","","has coordinates","280191","2023-01-06","09:52:40",""
"7062021","24.7609","0.0004","24.7609","0.0004","14.5331","0.0003","90","","90","","120","","7716.5","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba Mn O11 -","- C12 H13 Ba Mn O11 -","- C216 H234 Ba18 Mn18 O198 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.0417","0.039","","","0.1054","0.1129","","","","","","1.238","","","","has coordinates,has disorder","280180","2023-01-06","09:50:23",""
"7062022","24.7462","0.0007","24.7462","0.0007","14.3059","0.0009","90","","90","","120","","7586.9","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba O11 Zn -","- C12 H18 Ba O11 Zn -","- C216 H324 Ba18 O198 Zn18 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.0609","0.0434","","","0.0903","0.0955","","","","","","1.01","","","","has coordinates,has disorder","280180","2023-01-06","09:50:24",""
"7062023","24.7322","0.0011","24.7322","0.0011","14.3209","0.0007","90","","90","","120","","7586.2","0.6","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Ba Co O11 -","- C12 H18 Ba Co O11 -","- C216 H324 Ba18 Co18 O198 -","18","1","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.045","0.0369","","","0.0694","0.0719","","","","","","1.117","","","","has coordinates,has disorder","280180","2023-01-06","09:50:24",""
"7062024","12.313","0.002","24.65","0.004","17.294","0.003","90","","99.921","0.004","90","","5170.5","1.5","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ba Cu O11 -","- C12 H18 Ba Cu O11 -","- C144 H216 Ba12 Cu12 O132 -","12","3","","Zorina-Tikhonova, Ekaterina N.; Matyukhina, Anna K.; Chistyakov, Aleksandr S.; Vologzhanina, Anna V.; Korlyukov, Alexander A.; Gogoleva, Natalia V.; Novikova, Veronika A.; Belova, Ekaterina V.; Ugolkova, Elena A.; Starikova, Alyona A.; Korchagin, Denis V.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Synthesis, structure, magnetic properties and thermal behaviour of Ba–MII (MII = Mn, Co, Cu, and Zn) allylmalonates","New Journal of Chemistry","2022","46","44","21245","21256","10.1039/D2NJ03751C","","","0.71073","MoKα","","0.1041","0.0769","","","0.1871","0.2063","","","","","","1.065","","","","has coordinates,has disorder","280180","2023-01-06","09:50:24",""
"7062025","6","0.0006","13.5232","0.0014","11.2523","0.0011","90","","95.499","0.004","90","","908.8","0.16","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 Te -","- C9 H10 N2 Te -","- C36 H40 N8 Te4 -","4","1","","Pierre, Johan; Hill, Zachary M.; Fronczek, Frank R.; Junk, Thomas","Unexpected ring closures leading to 2-N,N-dialkylaminoareno[1,3]tellurazoles","New Journal of Chemistry","2022","46","47","22533","22538","10.1039/D2NJ03234A","","","0.71073","MoKα","","0.036","0.0219","","","0.0362","0.0387","","","","","","1.058","","","","has coordinates","280199","2023-01-06","09:54:08",""
"7062026","7.8935","0.0003","7.5101","0.0003","19.8119","0.0009","90","","96.01","0.002","90","","1168.01","0.08","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 Te -","- C13 H12 N2 Te -","- C52 H48 N8 Te4 -","4","1","","Pierre, Johan; Hill, Zachary M.; Fronczek, Frank R.; Junk, Thomas","Unexpected ring closures leading to 2-N,N-dialkylaminoareno[1,3]tellurazoles","New Journal of Chemistry","2022","46","47","22533","22538","10.1039/D2NJ03234A","","","0.71073","MoKα","","0.0339","0.0285","","","0.0563","0.0575","","","","","","1.262","","","","has coordinates","280199","2023-01-06","09:54:08",""
"7062027","19.6232","0.0008","13.1888","0.0005","8.6608","0.0004","90","","97.265","0.003","90","","2223.48","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Mn N5 O14 -","- C21 H15 Mn N5 O14 -","- C84 H60 Mn4 N20 O56 -","4","0.5","","Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Dlháň, Ľubor; Zalibera, Michal; Boča, Roman","An exchange interaction of the antiferromagnetic nature in benzoate bridged Mn(ii) chains","New Journal of Chemistry","2022","46","47","22686","22691","10.1039/D2NJ04131F","","","1.54186","CuKα","","0.0388","0.036","","","0.0938","0.0952","","","","","","1.012","","","","has coordinates","280196","2023-01-06","09:53:41",""
"7062028","8.2964","0.0003","14.6106","0.0006","21.1398","0.0009","90","","98.033","0.003","90","","2537.33","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cl2 Mn N5 O14 -","- C21 H13 Cl2 Mn N5 O14 -","- C84 H52 Cl8 Mn4 N20 O56 -","4","1","","Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Dlháň, Ľubor; Zalibera, Michal; Boča, Roman","An exchange interaction of the antiferromagnetic nature in benzoate bridged Mn(ii) chains","New Journal of Chemistry","2022","46","47","22686","22691","10.1039/D2NJ04131F","","","1.54186","CuKα","","0.0591","0.0406","","","0.1025","0.1125","","","","","","1.033","","","","has coordinates","280196","2023-01-06","09:53:41",""
"7062029","11.7625","0.0019","14.972","0.004","15.39","0.003","83.26","0.03","71.08","0.02","68.25","0.02","2381.3","1","125","","125.15","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H23 B F4 O2 S Te -","- C25 H23 B F4 O2 S Te -","- C100 H92 B4 F16 O8 S4 Te4 -","4","2","","Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.","Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives","New Journal of Chemistry","2022","46","46","22363","22383","10.1039/D2NJ04737C","","","0.71075","MoKα","","0.1284","0.0758","","","0.1447","0.174","","","","","","1.071","","","","has coordinates","280195","2023-01-06","09:53:32",""
"7062030","10.415","0.008","11.443","0.006","11.777","0.006","61.44","0.03","84.01","0.04","88.75","0.04","1225.4","1.4","125","","125.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H25 B F4 O2 Se Te -","- C26 H25 B F4 O2 Se Te -","- C52 H50 B2 F8 O4 Se2 Te2 -","2","1","","Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.","Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives","New Journal of Chemistry","2022","46","46","22363","22383","10.1039/D2NJ04737C","","","0.71075","MoKα","","0.0867","0.068","","","0.1615","0.2161","","","","","","1.111","","","","has coordinates,has disorder","280195","2023-01-06","09:53:32",""
"7062031","10.593","0.003","11.1","0.002","12.01","0.002","61.571","0.014","85.183","0.018","87.92","0.02","1237.5","0.5","93","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 B F4 O2 Te2 -","- C26 H25 B F4 O2 Te2 -","- C52 H50 B2 F8 O4 Te4 -","2","1","","Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.","Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives","New Journal of Chemistry","2022","46","46","22363","22383","10.1039/D2NJ04737C","","","0.71075","MoKα","","0.0436","0.0345","","","0.0538","0.0576","","","","","","1.035","","","","has coordinates","280195","2023-01-06","09:53:32",""
"7062032","10.1169","0.0009","6.6072","0.0006","46.904","0.004","90","","90","","90","","3135.3","0.5","93","","93.25","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C10 H6 B F4 S2 -","- C10 H6 B F4 S2 -","- C120 H72 B12 F48 S24 -","12","3","","Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.","Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives","New Journal of Chemistry","2022","46","46","22363","22383","10.1039/D2NJ04737C","","","0.71069","MoKα","","0.0779","0.0698","","","0.1561","0.1614","","","","","","1.151","","","","has coordinates","280195","2023-01-06","09:53:32",""
"7062033","12.117","0.003","19.875","0.005","20.939","0.005","90","","95.196","0.007","90","","5022","2","93","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B2 F8 O Se2 Te2 -","- C48 H36 B2 F8 O Se2 Te2 -","- C192 H144 B8 F32 O4 Se8 Te8 -","4","1","","Roemmele, Tracey L.; Knight, Fergus R.; Crawford, Ellis; Robertson, Stuart D.; Bode, Bela E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek; Boeré, René T.","Chalcogen controlled redox behaviour in peri-substituted S, Se and Te naphthalene derivatives","New Journal of Chemistry","2022","46","46","22363","22383","10.1039/D2NJ04737C","","","0.71075","MoKα","","0.115","0.0781","","","0.2064","0.2312","","","","","","1.038","","","","has coordinates,has disorder","280195","2023-01-06","09:53:32",""
"7062034","6.197","0.0011","9.8989","0.0013","12.9485","0.0019","90","","102.482","0.019","90","","775.5","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-trifluoromethyl-4,5-epoxycaryophyllan-8-ol","","","- C15 H23 F3 O2 -","- C15 H23 F3 O2 -","- C30 H46 F6 O4 -","2","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.129","0.0717","","","0.1655","0.2341","","","","","","1.004","","","","has coordinates","280206","2023-01-06","09:55:31",""
"7062035","22.1155","0.0011","8.7469","0.0004","8.971","0.0004","90","","102.75","0.0015","90","","1692.58","0.14","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H27 F3 O2 -","- C17 H27 F3 O2 -","- C68 H108 F12 O8 -","4","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0469","0.0353","","","0.0817","0.0873","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7062036","9.4232","0.0003","10.9758","0.0004","15.1715","0.0006","90","","90","","90","","1569.15","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F3 O2 -","- C15 H23 F2.997 O2 -","- C60 H92 F11.988 O8 -","4","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0874","0.0553","","","0.1382","0.1584","","","","","","1.02","","","","has coordinates,has disorder","280206","2023-01-06","09:55:31",""
"7062037","28.9014","0.0011","6.6072","0.0003","20.4393","0.0008","90","","129.272","0.0011","90","","3021.5","0.2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H23 F3 O2 -","- C15 H23 F3 O2 -","- C120 H184 F24 O16 -","8","2","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0549","0.0396","","","0.0911","0.0988","","","","","","1.025","","","","has coordinates,has disorder","280206","2023-01-06","09:55:31",""
"7062038","14.4307","0.001","17.0314","0.0009","16.3071","0.0008","90","","102.692","0.004","90","","3909.9","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F18 Ho N4 O8 -","- C31 H22 F18 Ho N4 O8 -","- C124 H88 F72 Ho4 N16 O32 -","4","1","","Zhong, Qing; Dong, Huiyang; Liu, Yi; Zhu, Mei","Slow magnetic relaxation and selective luminescence sensor of Ln-radical chain involving imidazole-substituted nitronyl nitroxide radical","New Journal of Chemistry","2022","46","46","22451","22458","10.1039/D2NJ04865E","","","1.54178","CuKα","","0.0907","0.0615","","","0.1645","0.1964","","","","","","0.979","","","","has coordinates","280193","2023-01-06","09:53:04",""
"7062039","14.4274","0.0006","17.0891","0.0008","16.3608","0.0007","90","","102.619","0.003","90","","3936.3","0.3","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F18 Gd N4 O8 -","- C31 H22 F18 Gd N4 O8 -","- C124 H88 F72 Gd4 N16 O32 -","4","1","","Zhong, Qing; Dong, Huiyang; Liu, Yi; Zhu, Mei","Slow magnetic relaxation and selective luminescence sensor of Ln-radical chain involving imidazole-substituted nitronyl nitroxide radical","New Journal of Chemistry","2022","46","46","22451","22458","10.1039/D2NJ04865E","","","1.54178","CuKα","","0.0893","0.0768","","","0.2137","0.2283","","","","","","1.046","","","","has coordinates","280193","2023-01-06","09:53:06",""
"7062040","14.3555","0.0001","16.9235","0.0001","16.189","0.0001","90","","102.26","","90","","3843.34","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F18 N4 O8 Yb -","- C31 H22 F18 N4 O8 Yb -","- C124 H88 F72 N16 O32 Yb4 -","4","1","","Zhong, Qing; Dong, Huiyang; Liu, Yi; Zhu, Mei","Slow magnetic relaxation and selective luminescence sensor of Ln-radical chain involving imidazole-substituted nitronyl nitroxide radical","New Journal of Chemistry","2022","46","46","22451","22458","10.1039/D2NJ04865E","","","1.54178","CuKα","","0.0442","0.0438","","","0.1129","0.1131","","","","","","1.098","","","","has coordinates","280193","2023-01-06","09:53:07",""
"7062041","14.4366","0.0006","17.0425","0.0006","16.3265","0.0006","90","","102.702","0.001","90","","3918.6","0.3","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Dy F18 N4 O8 -","- C31 H22 Dy F18 N4 O8 -","- C124 H88 Dy4 F72 N16 O32 -","4","1","","Zhong, Qing; Dong, Huiyang; Liu, Yi; Zhu, Mei","Slow magnetic relaxation and selective luminescence sensor of Ln-radical chain involving imidazole-substituted nitronyl nitroxide radical","New Journal of Chemistry","2022","46","46","22451","22458","10.1039/D2NJ04865E","","","0.71073","MoKα","","0.0627","0.048","","","0.1197","0.1309","","","","","","1.114","","","","has coordinates","280193","2023-01-06","09:53:07",""
"7062042","14.4353","0.0007","17.0555","0.0008","16.3254","0.0008","90","","102.612","0.003","90","","3922.4","0.3","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F18 N4 O8 Tb -","- C31 H22 F18 N4 O8 Tb -","- C124 H88 F72 N16 O32 Tb4 -","4","1","","Zhong, Qing; Dong, Huiyang; Liu, Yi; Zhu, Mei","Slow magnetic relaxation and selective luminescence sensor of Ln-radical chain involving imidazole-substituted nitronyl nitroxide radical","New Journal of Chemistry","2022","46","46","22451","22458","10.1039/D2NJ04865E","","","1.54178","CuKα","","0.0799","0.0714","","","0.19","0.1989","","","","","","0.984","","","","has coordinates","280193","2023-01-06","09:53:07",""
"7062043","19.1126","0.0007","15.5043","0.0006","11.6052","0.0004","90","","106.885","0.002","90","","3290.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 B Ir N2 P2 -","- C31 H56 B Ir N2 P2 -","- C124 H224 B4 Ir4 N8 P8 -","4","1","","Decker, David; Drexler, Hans-Joachim; Baumann, Wolfgang; Reiß, Fabian; Beweries, Torsten","Catalytic dehydrocoupling of methylamine borane using Yamashita's [Ir(PBP)] boryl complex – characterisation of a novel highly fluxional Ir tetrahydride","New Journal of Chemistry","2022","46","46","22314","22321","10.1039/D2NJ04914G","","","1.54178","CuKα","","0.0769","0.0614","","","0.1423","0.1519","","","","","","1.08","","","","has coordinates","280190","2023-01-06","09:52:33",""
"7062044","15.517","0.0006","12.1309","0.0005","34.2767","0.0013","90","","90","","90","","6452.1","0.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H54 B Ir N2 O2 P2 -","- C29 H54 B Ir N2 O2 P2 -","- C232 H432 B8 Ir8 N16 O16 P16 -","8","1","","Decker, David; Drexler, Hans-Joachim; Baumann, Wolfgang; Reiß, Fabian; Beweries, Torsten","Catalytic dehydrocoupling of methylamine borane using Yamashita's [Ir(PBP)] boryl complex – characterisation of a novel highly fluxional Ir tetrahydride","New Journal of Chemistry","2022","46","46","22314","22321","10.1039/D2NJ04914G","","","0.71073","MoKα","","0.029","0.0222","","","0.0453","0.0483","","","","","","1.078","","","","has coordinates","280190","2023-01-06","09:52:33",""
"7062045","10.7112","0.0004","7.8141","0.0003","27.003","0.003","90","","91.978","0.005","90","","2258.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O3 -","- C31 H23 N O3 -","- C124 H92 N4 O12 -","4","1","","Omasa, Koichiro; Ito, Masato; Kubo, Yuji","Zn(ii)-coordination-driven chiroptical and emissive sensing for chiral amines using a quaterphenyl-5′-carbaldehyde","New Journal of Chemistry","2022","46","45","21845","21851","10.1039/D2NJ04781K","","","1.54178","CuKα","","0.063","0.0594","","","0.1603","0.1674","","","","","","1.032","","","","has coordinates","280216","2023-01-06","09:58:03",""
"7062046","7.304","0.0002","9.1476","0.0002","11.7026","0.0002","70.419","0.002","80.43","0.002","88.427","0.002","726.09","0.03","100.01","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl N O2 Se -","- C14 H16 Cl N O2 Se -","- C28 H32 Cl2 N2 O4 Se2 -","2","1","","Aragoni, M. Carla; Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Bartz, Ricardo H.; Lenardão, Eder J.; Perin, Gelson; Schumacher, Ricardo F.; Coles, Simon J.; Orton, James B.","An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template","New Journal of Chemistry","2022","46","45","21921","21929","10.1039/D2NJ04689J","","","1.54184","CuKα","","0.03","0.0277","","","0.07","0.071","","","","","","1.073","","","","has coordinates,has disorder","280217","2023-01-06","09:58:08",""
"7062047","11.7631","0.0001","14.0582","0.0002","16.4528","0.0002","94.046","0.001","95.473","0.001","111.156","0.001","2509.62","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl I2.33 N Se -","- C14 H12 Cl I2.33333 N Se -","- C84 H72 Cl6 I14 N6 Se6 -","6","3","","Aragoni, M. Carla; Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Bartz, Ricardo H.; Lenardão, Eder J.; Perin, Gelson; Schumacher, Ricardo F.; Coles, Simon J.; Orton, James B.","An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template","New Journal of Chemistry","2022","46","45","21921","21929","10.1039/D2NJ04689J","","","0.71073","MoKα","","0.0322","0.0272","","","0.0625","0.0642","","","","","","1.109","","","","has coordinates,has disorder","280217","2023-01-06","09:58:09",""
"7062048","11.3175","0.0001","11.8653","0.0001","25.2383","0.0002","90","","90","","90","","3389.14","0.05","199.91","0.17","199.91","0.17","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5S,11S)-6H,12H-5,11-ethano dibenzo[b,f][1,5]diazocine . (-)-O,O'-Dibenzoyl-L-tartaric acid","","- C37 H36 N2 O9 -","- C37 H36 N2 O9 -","- C148 H144 N8 O36 -","4","1","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.0342","0.0305","","","0.0784","0.0818","","","","","","1.046","","","","has coordinates,has disorder","280218","2023-01-06","09:58:29",""
"7062049","15.8359","0.0004","8.6724","0.0002","20.5944","0.0005","90","","95.268","0.002","90","","2816.39","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","MR524","","","- C34 H36 N2 O6 -","- C34 H36 N2 O6 -","- C136 H144 N8 O24 -","4","2","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.0627","0.0511","","","0.1276","0.1355","","","","","","1.062","","","","has coordinates","280218","2023-01-06","09:58:29",""
"7062050","13.9868","0.0003","22.2742","0.0004","23.3991","0.0005","90","","94.2222","0.0018","90","","7270.1","0.3","99.98","0.11","99.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MR530","dodecahydro-1H,6H-2,8-(epoxyethanooxyethanooxy[1,5]naphthalenooxyethanooxyethanooxy)-5,11-ethanodibenzo[b,f][1,5]diazocine.1,2,7(4,1),6(1,4)-tetrapyridin-1-iuma-4,9(1,4)-dibenzenacyclodecaphane-11,21,61,71-tetraium.tetrakis hexafluorophosphate","","- C72 H73 F24 N7 O7 P4 -","- C72 H73 F24 N7 O7 P4 -","- C288 H292 F96 N28 O28 P16 -","4","1","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.0927","0.0658","","","0.1773","0.1957","","","","","","1.068","","","","has coordinates,has disorder","280218","2023-01-06","09:58:29",""
"7062051","34.8333","0.0008","9.1764","0.0002","36.063","0.0009","90","","95.626","0.002","90","","11471.8","0.5","99.96","0.17","99.96","0.17","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MR518","","","- C34 H36 N2 O6 -","- C34 H36 N2 O6 -","- C544 H576 N32 O96 -","16","2","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","0.71073","MoKα","","0.1159","0.0876","","","0.1972","0.2099","","","","","","1.08","","","","has coordinates,has disorder","280218","2023-01-06","09:58:29",""
"7062052","14.1062","0.0003","25.2825","0.0007","24.5285","0.0008","90","","91.98","0.003","90","","8742.6","0.4","250","0.1","250","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","SS-TBDR34C6 . BlueBox . 4PF6","(2S,4aR,5S,6aS,22S,25aS,26S)-dodecahydro-1H,6H-2,8-(epoxyethanooxyethanooxy[1,5]naphthalenooxyethanooxyethanooxy)-5,11-ethanodibenzo[b,f][1,5]diazocine.1,2,7(4,1),6(1,4)-tetrapyridin-1-iuma-4,9(1,4)-dibenzenacyclodecaphane-11,21,61,71-tetraium.tetrakis hexafluorophosphate","","- C70 H69 F24 N6 O6 P4 -","- C70 H69 F24 N6 O6 P4 -","- C280 H276 F96 N24 O24 P16 -","4","2","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.1463","0.1291","","","0.3292","0.346","","","","","","1.256","","","","has coordinates","280218","2023-01-06","09:58:29",""
"7062053","11.5598","0.0019","15.143","0.002","15.801","0.003","86.121","0.002","72.408","0.002","84.689","0.002","2623","0.7","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C114 H104 B2 Cl8 N2 P4 Pt2 Se2 -","- C114 H104 B2 Cl8 N2 P4 Pt2 Se2 -","- C114 H104 B2 Cl8 N2 P4 Pt2 Se2 -","1","0.5","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","","0.71073","MoKα","","0.0503","0.0366","","","0.0753","0.0826","","","","","","1.035","","","","has coordinates,has disorder","280203","2023-01-06","09:54:48",""
"7062054","9.9143","0.0001","12.517","0.0002","18.0875","0.0003","83.905","0.001","76.955","0.001","80.542","0.001","2151.38","0.06","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H37 Cl3 Fe N2 P2 Pt S2 -","- C44 H36 Fe N2 P2 Pt S2 -","- C88 H72 Fe2 N4 P4 Pt2 S4 -","2","1","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","x-ray","0.71073","MoKα","","0.0334","0.0258","","","0.0557","0.0572","","","","","","1.051","","","","has coordinates","280203","2023-01-06","09:54:48",""
"7062055","23.7129","0.0007","10.279","0.0002","19.4397","0.0005","90","","112.458","0.003","90","","4379","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Cl4 Fe N2 P2 Pt Se2 -","- C46 H40 Cl4 Fe N2 P2 Pt Se2 -","- C184 H160 Cl16 Fe4 N8 P8 Pt4 Se8 -","4","1","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","x-ray","0.71073","MoKα","","0.0404","0.0289","","","0.063","0.066","","","","","","1.045","","","","has coordinates,has disorder","280203","2023-01-06","09:54:48",""
"7062056","20.2575","0.0003","20.2575","0.0003","47.4558","0.001","90","","90","","90","","19474.3","0.6","298","2","298","2","","","","","","","","11","I 41/a :2","-I 4ad","88","","","","- C167 H135 Cl15 F18 Fe4 N4 O18 P8 Pt4 S6 Se4 -","- C164 H132 Cl12 F12 Fe4 N4 O12 P8 Pt4 S4 Se4 -","- C656 H528 Cl48 F48 Fe16 N16 O48 P32 Pt16 S16 Se16 -","4","0.25","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","x-ray","0.71073","MoKα","","0.051","0.0328","","","0.0849","0.0937","","","","","","0.848","","","","has coordinates,has disorder","280203","2023-01-06","09:54:49",""
"7062057","19.9324","0.0004","19.9324","0.0004","47.0921","0.0019","90","","90","","90","","18709.7","0.9","298","2","298","2","","","","","","","","10","I 41/a :2","-I 4ad","88","","","","- C165 H133 Cl9 F18 Fe4 N4 O18 P8 Pt4 S10 -","- C160 H128 F12 Fe4 N4 O12 P8 Pt4 S8 -","- C640 H512 F48 Fe16 N16 O48 P32 Pt16 S32 -","4","0.25","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","x-ray","1.54184","CuKα","","0.0696","0.052","","","0.1426","0.157","","","","","","0.979","","","","has coordinates","280203","2023-01-06","09:54:49",""
"7062058","12.8799","0.0002","16.5012","0.0003","38.1414","0.0005","90","","98.275","0.001","90","","8021.9","0.2","298","2","298","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C81 H66 Cl2 F6 Fe2 N2 O6 P4 Pt2 S2 Se2 -","- C81 H66 Cl2 F6 Fe2 N2 O6 P4 Pt2 S2 Se2 -","- C324 H264 Cl8 F24 Fe8 N8 O24 P16 Pt8 S8 Se8 -","4","1","","Pal, M. K.; Majumdar, A. G.; Vivekananda, K. V.; Wadawale, A. P.; Subramanian, M.; Bhuvanesh, N.; Dey, S.","Anticancer activity of Pt-selenolate metallacycles","New Journal of Chemistry","2022","46","48","23198","23212","10.1039/D2NJ03931A","","x-ray","1.54184","CuKα","","0.0601","0.0412","","","0.0932","0.1019","","","","","","1.054","","","","has coordinates,has disorder","280203","2023-01-06","09:54:49",""
"7062059","10.2327","0.0004","10.6375","0.0003","12.0832","0.0004","113.099","0.001","97.051","0.001","97.796","0.001","1176.07","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","MD22","","","- C21 H16 Ag F3 N2 O3 S3 Se -","- C21 H16 Ag F3 N2 O3 S3 Se -","- C42 H32 Ag2 F6 N4 O6 S6 Se2 -","2","1","","Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca","On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications","New Journal of Chemistry","2022","46","48","23019","23029","10.1039/D2NJ04812D","","","0.71073","MoKα","","0.0249","0.0217","","","0.05","0.0517","","","","","","1.061","","","","has coordinates","280207","2023-01-06","09:55:39",""
"7062060","9.8868","0.0004","8.8596","0.0003","28.9794","0.0011","90","","91.637","0.001","90","","2537.36","0.16","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","ROX-103","","","- C36 H44 Ag2 F12 N6 O14 S4 Se2 -","- C36 H44 Ag2 F12 N6 O14 S4 Se2 -","- C72 H88 Ag4 F24 N12 O28 S8 Se4 -","2","0.5","","Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca","On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications","New Journal of Chemistry","2022","46","48","23019","23029","10.1039/D2NJ04812D","","","0.71073","MoKα","","0.0363","0.0312","","","0.0857","0.0937","","","","","","1.136","","","","has coordinates","280207","2023-01-06","09:55:39",""
"7062061","10.457","0.0002","15.9675","0.0004","14.6466","0.0004","90","","102.627","0.001","90","","2386.43","0.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Rox101","","","- C22 H24 Ag F3 N2 O3 S2 Se -","- C22 H24 Ag F3 N2 O3 S2 Se -","- C88 H96 Ag4 F12 N8 O12 S8 Se4 -","4","1","","Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca","On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications","New Journal of Chemistry","2022","46","48","23019","23029","10.1039/D2NJ04812D","","","0.71073","MoKα","","0.0219","0.0202","","","0.0464","0.0471","","","","","","1.038","","","","has coordinates","280207","2023-01-06","09:55:39",""
"7062062","10.636","0.0005","16.0422","0.0006","14.5344","0.0007","90","","101.678","0.002","90","","2428.6","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Ag F3 N2 O4 S2 Se -","- C22 H22 Ag F3 N2 O4 S2 Se -","- C88 H88 Ag4 F12 N8 O16 S8 Se4 -","4","1","","Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca","On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications","New Journal of Chemistry","2022","46","48","23019","23029","10.1039/D2NJ04812D","","","0.71073","MoKα","","0.0409","0.0309","","","0.0754","0.0814","","","","","","1.041","","","","has coordinates","280207","2023-01-06","09:55:39",""
"7062063","10.0656","0.0002","10.1363","0.0002","19.2948","0.0004","103.33","0.001","94.428","0.001","94.813","0.001","1899.33","0.07","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","C25 H17 N1 Se1","","- C50 H34 N2 Se2 -","- C50 H34 N2 Se2 -","- C100 H68 N4 Se4 -","2","1","","Peglow, Thiago J.; Martins, Carolina C.; da Motta, Ketlyn P.; Luchese, Cristiane; Wilhelm, Ethel A.; Stieler, Rafael; Schneider, Paulo H.","Synthesis and biological evaluation of 5-chalcogenyl-benzo[h]quinolines via photocyclization of arylethynylpyridine derivatives","New Journal of Chemistry","2022","46","48","23030","23038","10.1039/D2NJ04370J","","x-ray","1.54178","CuKα","","0.0372","0.0318","","","0.0841","0.0879","","","","","","1.031","","","","has coordinates","280209","2023-01-06","09:56:08",""
"7062064","11.7095","0.0006","12.14","0.0006","12.8528","0.0008","74.284","0.005","69.199","0.005","79.296","0.004","1635.97","0.17","149.7","0.9","149.7","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C62 H54 F24 N12 P4 -","- C62 H54 F24 N12 P4 -","- C62 H54 F24 N12 P4 -","1","0.5","","Zhao, Zhi-Xiang; Hu, Lin-Hai; Yu, Shao-Cong; Liu, Qing-Xiang","Synthesis of two tetra-azolium salts and the recognition performance for guests","New Journal of Chemistry","2022","46","46","22108","22116","10.1039/D2NJ04255J","","x-ray","0.71073","MoKα","","0.0791","0.0587","","","0.1489","0.1654","","","","","","1.028","","","","has coordinates","280192","2023-01-06","09:52:45",""
"7062071","7.8281","0.0003","8.1444","0.0004","8.5668","0.0004","81.284","0.002","88.323","0.001","85.455","0.001","538.09","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C24 H28 O4 -","2","1","","Sarkar, Fillip Kumar; Gajurel, Sushmita; Kyndiah, Lenida; Sarkar, Rajib; Devan, Rupesh S.; Pal, Amarta Kumar","Palladium incorporated MIL-101(Cr): a heterogeneous and reusable catalyst for the C–H functionalization of unactivated arenes","New Journal of Chemistry","2022","46","48","23102","23111","10.1039/D2NJ03889G","","","0.71073","MoKα","","0.0666","0.0521","","","0.1551","0.1667","","","","","","1.066","","","","has coordinates","280201","2023-01-06","09:54:22",""
"7062072","11.4985","0.001","8.0962","0.0007","17.0148","0.0016","90","","101.743","0.003","90","","1550.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Sarkar, Fillip Kumar; Gajurel, Sushmita; Kyndiah, Lenida; Sarkar, Rajib; Devan, Rupesh S.; Pal, Amarta Kumar","Palladium incorporated MIL-101(Cr): a heterogeneous and reusable catalyst for the C–H functionalization of unactivated arenes","New Journal of Chemistry","2022","46","48","23102","23111","10.1039/D2NJ03889G","","","0.71073","MoKα","","0.0565","0.0425","","","0.113","0.1189","","","","","","1.05","","","","has coordinates","280201","2023-01-06","09:54:22",""
"7062073","11.3439","0.0009","11.8482","0.0009","12.3204","0.0009","97.38","0.003","112.378","0.002","103.183","0.003","1447.6","0.2","302","2","301.78","","","","","","","","","5","P -1","-P 1","2","","Substituted indole","","- C27 H35 N5 O7.5 S2 -","- C26 H27 N5 O2 S2 -","- C52 H54 N10 O4 S4 -","2","1","","Mangali, Rofin; Muthusamy, Sengodagounder","BF3·OEt2 catalyzed S–H insertion reactions of α-diazo imidamides and enolizable thioamides under metal-free conditions","New Journal of Chemistry","2022","46","48","23173","23178","10.1039/D2NJ04964C","","","0.71073","MoKα","","0.0527","0.0385","","","0.0966","0.1064","","","","","","1.025","","","","has coordinates","280202","2023-01-06","09:54:27",""
"7062077","9.7773","0.0012","12.516","0.0014","16.6131","0.0019","90","","105.096","0.002","90","","1962.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 Br4 Mn P2 -","- C38 H36 Br4 Mn P2 -","- C76 H72 Br8 Mn2 P4 -","2","1","","Wu, Yu-Li; Hou, Guo-Liang; Cui, Hai-Xia; Chen, Lei; Zhou, Hui-Di; Chen, Jian-Min","Development and mechanism of a fluorescent probe for a Mn(ii) ionic complex capable of recognizing chloroform vapor molecules","New Journal of Chemistry","2022","46","47","22509","22512","10.1039/D2NJ04869H","","","0.71073","MoKα","","0.069","0.0454","","","0.0908","0.0994","","","","","","0.998","","","","has coordinates","280200","2023-01-06","09:54:15",""
"7062078","10.852","0.004","10.852","0.004","41.832","0.014","90","","90","","120","","4266","3","296","2","296.15","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C39 H37 Br4 Cl3 Mn P2 -","- C39 H36.9994 Br4 Cl3 Mn P2 -","- C156 H147.998 Br16 Cl12 Mn4 P8 -","4","0.666667","","Wu, Yu-Li; Hou, Guo-Liang; Cui, Hai-Xia; Chen, Lei; Zhou, Hui-Di; Chen, Jian-Min","Development and mechanism of a fluorescent probe for a Mn(ii) ionic complex capable of recognizing chloroform vapor molecules","New Journal of Chemistry","2022","46","47","22509","22512","10.1039/D2NJ04869H","","","0.71073","MoKα","","0.0887","0.0444","","","0.0911","0.106","","","","","","1.016","","","","has coordinates","280200","2023-01-06","09:54:15",""
"7062079","8.8442","0.0016","10.1875","0.0016","14.161","0.003","99.619","0.009","104.626","0.01","108.469","0.008","1127.7","0.4","294.91","","294.91","","","","","","","","","6","P -1","-P 1","2","","CUST-752","","- C38 H36 Cd3 N10 O20 S2 -","- C38 H32 Cd3 N10 O20 S2 -","- C38 H32 Cd3 N10 O20 S2 -","1","0.5","","Li, Jun-Jun; Feng, Zhen-Jie; Wu, Xue-Song; Li, Ying; Wu, Di; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Two new transition metal–organic frameworks as multiresponsive fluorescence sensors for detecting Fe3+, Cr2O72− and TNP","New Journal of Chemistry","2022","46","47","22739","22745","10.1039/D2NJ03746G","","","0.71073","MoKα","","0.0768","0.0452","","","0.0773","0.0857","","","","","","1.047","","","","has coordinates,has disorder","280197","2023-01-06","09:53:55",""
"7062080","9.681","0.005","26.421","0.005","12.241","0.005","90","","106.845","0.005","90","","2997","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","CUST-751","","- C49 H53 N15 O24 S2 Zn3 -","- C49 H40.25 N15 O19 S2 Zn3 -","- C98 H80.5 N30 O38 S4 Zn6 -","2","1","","Li, Jun-Jun; Feng, Zhen-Jie; Wu, Xue-Song; Li, Ying; Wu, Di; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Two new transition metal–organic frameworks as multiresponsive fluorescence sensors for detecting Fe3+, Cr2O72− and TNP","New Journal of Chemistry","2022","46","47","22739","22745","10.1039/D2NJ03746G","","","0.71069","MoKα","","0.0602","0.0524","","","0.122","0.1268","","","","","","1.037","","","","has coordinates,has disorder","280197","2023-01-06","09:53:55",""
"7062087","18.8036","0.0012","12.8175","0.0005","12.0035","0.0006","90","","104.766","0.005","90","","2797.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32.01 Bi Cl5 N2 -","- C20 H32.02 Bi Cl5 N2 -","- C80 H128.08 Bi4 Cl20 N8 -","4","1","","Wei, Wen Juan; Gao, Hong Qiang; Tang, Yun Zhi","A zero-dimensional lead-free bismuth-based metal halide: [C6H5(CH2)2CH(NH3)CH3]2BiCl5","New Journal of Chemistry","2022","46","48","22999","23002","10.1039/D2NJ04382C","","x-ray","0.71073","MoKα","","0.0627","0.0338","","","0.0534","0.0616","","","","","","1.021","","","","has coordinates,has disorder","280204","2023-01-06","09:54:57",""
"7062088","18.4977","0.0011","12.6339","0.0006","11.9235","0.0005","90","","104.781","0.005","90","","2694.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Bi Cl5 N2 -","- C20 H32 Bi Cl5 N2 -","- C80 H128 Bi4 Cl20 N8 -","4","1","","Wei, Wen Juan; Gao, Hong Qiang; Tang, Yun Zhi","A zero-dimensional lead-free bismuth-based metal halide: [C6H5(CH2)2CH(NH3)CH3]2BiCl5","New Journal of Chemistry","2022","46","48","22999","23002","10.1039/D2NJ04382C","","","0.71073","MoKα","","0.0465","0.0358","","","0.0773","0.0832","","","","","","1.031","","","","has coordinates,has disorder","280204","2023-01-06","09:54:57",""
"7062093","13.1812","0.0018","14.144","0.002","20.391","0.003","90","","90","","90","","3801.6","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl2 N2 O5 -","- C19 H14 Cl2 N2 O5 -","- C152 H112 Cl16 N16 O40 -","8","2","","He, Hangli; Yan, Zhewei; Wang, Junyong; Yan, Qiongjiao; Wang, Wei; Wang, Haifeng; Chen, Fener","A solvent controlled three-component reaction of diazo compounds for the synthesis of hydrazone compounds under Brønsted acid catalysis","New Journal of Chemistry","2022","46","47","22513","22517","10.1039/D2NJ04983J","","","0.71073","MoKα","","0.2151","0.069","","","0.1484","0.1926","","","","","","0.97","","","","has coordinates,has disorder","280198","2023-01-06","09:54:02",""
"7062094","11.74","","19.007","","8.976","","90","","95.31","","90","","1994.33","","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O4 -","- C20 H17 Cl2 N3 O4 -","- C80 H68 Cl8 N12 O16 -","4","1","","He, Hangli; Yan, Zhewei; Wang, Junyong; Yan, Qiongjiao; Wang, Wei; Wang, Haifeng; Chen, Fener","A solvent controlled three-component reaction of diazo compounds for the synthesis of hydrazone compounds under Brønsted acid catalysis","New Journal of Chemistry","2022","46","47","22513","22517","10.1039/D2NJ04983J","","","0.71073","MoKα","","0.1256","0.0644","","","0.1111","0.1288","","","","","","1.138","","","","has coordinates","280198","2023-01-06","09:54:02",""
"7062095","12.7991","0.0008","16.2884","0.0009","16.7129","0.0011","78.317","0.005","72.954","0.006","67.296","0.005","3057.2","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N O4 -","- C40 H31 N O4 -","- C160 H124 N4 O16 -","4","2","","Li, Debao; Li, Peiying; Zhao, Yuling; Su, Ruige; Guo, Yongchun; Su, Wenming; Yu, Tianzhi","AIEE-active V-shaped fused-biscoumarins: synthesis, photophysical and electroluminescence properties","New Journal of Chemistry","2022","46","48","23213","23224","10.1039/D2NJ03977J","","x-ray","1.54184","CuKα","","0.0684","0.0563","","","0.151","0.1628","","","","","","1.049","","","","has coordinates","280208","2023-01-06","09:55:47",""
"7062096","18.2337","0.0019","11.3595","0.0008","32.423","0.002","90","","100.879","0.009","90","","6594.9","0.9","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C336 H304 N16 O40 -","8","1","","Li, Debao; Li, Peiying; Zhao, Yuling; Su, Ruige; Guo, Yongchun; Su, Wenming; Yu, Tianzhi","AIEE-active V-shaped fused-biscoumarins: synthesis, photophysical and electroluminescence properties","New Journal of Chemistry","2022","46","48","23213","23224","10.1039/D2NJ03977J","","x-ray","0.71073","MoKα","","0.0958","0.0684","","","0.1652","0.1874","","","","","","1.049","","","","has coordinates","280208","2023-01-06","09:55:47",""
"7062097","9.5744","0.0001","24.2668","0.0004","10.9757","0.0001","90","","96.53","0.001","90","","2533.55","0.05","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H28 N4 O4 Zn -","- C28 H28 N4 O4 Zn -","- C112 H112 N16 O16 Zn4 -","4","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0246","0.0233","","","0.0571","0.058","","","","","","1.029","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062098","13.7196","0.0004","8.0117","0.0002","19.1729","0.0005","90","","105.783","0.003","90","","2027.98","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N3 O4 Zn -","- C24 H21 N3 O4 Zn -","- C96 H84 N12 O16 Zn4 -","4","0.5","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0258","0.0243","","","0.0652","0.0663","","","","","","1.062","","","","has coordinates,has disorder","280205","2023-01-06","09:55:21",""
"7062099","9.6687","0.0003","12.7174","0.0004","13.5705","0.0003","94.784","0.002","90.751","0.002","103.734","0.002","1614.35","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 N5 O6 Zn -","- C37 H33 N5 O6 Zn -","- C74 H66 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0524","0.0406","","","0.0995","0.1062","","","","","","1.07","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062100","9.745","0.0002","12.8471","0.0003","13.6923","0.0002","86.967","0.002","88.015","0.002","77.889","0.002","1673.22","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 N5 O6 Zn -","- C38 H35 N5 O6 Zn -","- C76 H70 N10 O12 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.057","0.0412","","","0.1008","0.1117","","","","","","1.052","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062101","13.8766","0.0005","7.553","0.0002","14.5911","0.0005","90","","91.303","0.003","90","","1528.9","0.09","150.05","0.1","150.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N5 O4 Zn -","- C33 H39 N5 O4 Zn -","- C66 H78 N10 O8 Zn2 -","2","0.5","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0318","0.0268","","","0.0659","0.0687","","","","","","1.041","","","","has coordinates,has disorder","280205","2023-01-06","09:55:21",""
"7062102","16.8851","0.0009","15.2488","0.0006","21.6499","0.0009","90","","95.594","0.005","90","","5547.8","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N4 O4 Zn -","- C32 H28 N4 O4 Zn -","- C256 H224 N32 O32 Zn8 -","8","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0859","0.0442","","","0.0848","0.0987","","","","","","0.976","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062103","11.9685","0.0003","14.7358","0.0004","16.8453","0.0003","84.163","0.002","81.961","0.002","69.405","0.002","2749.31","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O4 Zn -","- C32 H28 N4 O4 Zn -","- C128 H112 N16 O16 Zn4 -","4","2","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0496","0.0347","","","0.0737","0.0815","","","","","","1.035","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062104","7.66","0.0002","14.7528","0.0005","18.89","0.0006","91.319","0.003","97.791","0.002","97.798","0.002","2093.56","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H46.5 N6.5 O4 Zn -","- C47.5 H46.5 N6.5 O4 Zn -","- C95 H93 N13 O8 Zn2 -","2","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0442","0.0331","","","0.0768","0.0827","","","","","","1.028","","","","has coordinates,has disorder","280205","2023-01-06","09:55:21",""
"7062105","9.8931","0.0003","17.7112","0.0006","19.4839","0.0006","107.957","0.003","98.357","0.003","93.583","0.003","3192.21","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H59 N9 O10 Zn2 -","- C72 H59 N9 O10 Zn2 -","- C144 H118 N18 O20 Zn4 -","2","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.1039","0.0584","","","0.1291","0.1488","","","","","","1.022","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062106","18.6335","0.0009","13.7763","0.0006","19.963","0.0013","90","","103.298","0.006","90","","4987.1","0.5","150","0.1","150","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 N4 O4 Zn -","- C28 H30 N4 O4 Zn -","- C224 H240 N32 O32 Zn8 -","8","2","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.1465","0.0581","","","0.1305","0.1731","","","","","","0.969","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062107","10.1047","0.0002","15.6035","0.0003","16.7005","0.0003","94.937","0.002","90.811","0.001","90.776","0.001","2622.83","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O4 Zn -","- C31 H26 N4 O4 Zn -","- C124 H104 N16 O16 Zn4 -","4","2","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0482","0.035","","","0.0827","0.0905","","","","","","1.02","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062108","16.7335","0.0005","15.2906","0.0004","21.2757","0.0006","90","","95.203","0.003","90","","5421.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O4 Zn -","- C31 H26 N4 O4 Zn -","- C248 H208 N32 O32 Zn8 -","8","2","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0602","0.037","","","0.084","0.0956","","","","","","1.01","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062109","40.104","0.002","9.6775","0.0004","17.8447","0.0009","90","","98.273","0.005","90","","6853.6","0.6","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H33 N5 O6 Zn -","- C41 H33 N5 O6 Zn -","- C328 H264 N40 O48 Zn8 -","8","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.1531","0.0804","","","0.1528","0.1772","","","","","","1.057","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062110","23.0816","0.0004","23.0816","0.0004","39.4683","0.0013","90","","90","","90","","21027.1","0.9","170","2","170","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H134 Br6 N12 Ni3 O19 Si6 -","- C78 H96 Br6.015 N12 Ni3 O6 Si6 -","- C624 H768 Br48.12 N96 Ni24 O48 Si48 -","8","0.5","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.71073","MoKα","","0.0559","0.0436","","","0.1155","0.1234","","","","","","1.049","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7062111","26.434","0.005","15.826","0.003","27.998","0.006","90","","105.26","0.03","90","","11300","4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H141 Cl6 N12 Ni3 O13 Si6 -","- C78 H96 Cl6 N12 Ni3 O3 Si6 -","- C312 H384 Cl24 N48 Ni12 O12 Si24 -","4","0.5","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.7","synchrotron","","0.1626","0.0955","","","0.2596","0.3","","","","","","0.931","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7062112","30.232","0.004","30.232","0.004","30.935","0.006","90","","90","","90","","28274","8","223","2","223","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C84 H170 Br6 F18 N12 Ni3 O40 Si6 -","- C84 H90 Br6.02 F18 N12 Ni3 O6 Si6 -","- C672 H720 Br48.16 F144 N96 Ni24 O48 Si48 -","8","1","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.76","synchrotron","","0.1134","0.067","","","0.1819","0.2112","","","","","","0.95","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7062113","31.291","0.004","31.291","0.004","31.796","0.006","90","","90","","90","","31132","8","223","2","223","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C102 H220 Br6 N12 Ni3 O44 Si6 -","- C102 H132 Br5.973 N12 Ni3 O6 Si6 -","- C816 H1056 Br47.784 N96 Ni24 O48 Si48 -","8","1","","Gwak, Geonwoo; An, Seonghyeon; Kim, Dongwon; Di Serio, Martino; Jung, Ok-Sang","Water-reservoir properties dependent on packing modes of [Ni(ii)3L6] cages","New Journal of Chemistry","2022","46","48","23239","23244","10.1039/D2NJ04751A","","","0.78","synchrotron","","0.0879","0.0584","","","0.1672","0.1861","","","","","","0.996","","","","has coordinates","280210","2023-01-06","09:56:35",""
"7062114","18.226","0.003","12.3104","0.0011","7.2437","0.0011","90","","98.275","0.016","90","","1608.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N7 O4 S -","- C13 H15 N7 O4 S -","- C52 H60 N28 O16 S4 -","4","1","","Sadchikova, Elena V.; Beliaev, Nikolai A.; Alexeeva, Daria L.; Safronov, Nikita E.; Belskaya, Nataliya P.","Non-aromatic azolo[5,1-c][1,2,4]triazines: a pot, atom and step economic (PASE) synthesis, mechanistic insight and fluorescence properties","New Journal of Chemistry","2022","46","46","22171","22184","10.1039/D2NJ04085A","","","0.7107","MoKα","","0.1045","0.0531","","","0.1198","0.1483","","","","","","1.006","","","","has coordinates,has disorder","279617","2022-11-29","01:19:02",""
"7062191","5.1039","0.0003","14.0847","0.0008","15.9717","0.0009","69.32","0.004","87.965","0.005","80.713","0.004","1059.81","0.11","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C48 H54 N6 O8 -","2","1","","Mia, Rashid; Cragg, Peter J.; Fronczek, Frank R.; Wallace, Karl J.","Killing two birds with one stone: phosphorylation by a tabun mimic and subsequent capture of cyanide using a single fluorescent chemodosimeter","New Journal of Chemistry","2022","46","44","21278","21286","10.1039/D2NJ04014J","","","1.54184","CuKα","","0.1551","0.0775","","","0.1866","0.236","","","","","","0.951","","","","has coordinates","280122","2023-01-05","12:14:20",""
"7062192","6.2976","0.0004","23.6484","0.0013","7.7663","0.0004","90","","94.638","0.002","90","","1152.83","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","","0.71073","MoKα","","0.0519","0.0406","","","0.1014","0.1083","","","","","","1.027","","","","has coordinates","280124","2023-01-05","12:18:20",""
"7062193","6.2847","0.001","23.555","0.003","7.7504","0.0012","90","","94.788","0.009","90","","1143.3","0.3","150","2","150","2","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate","2-((E)-(2-hydroxyphenyliminio)methyl)-4-nitrophenolate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","1.54178","CuKα","","0.1983","0.0974","","","0.2299","0.289","","","","","","1.0473","","","","has coordinates","280124","2023-01-05","12:18:24",""
"7062194","7.4282","0.0009","11.5053","0.0014","14.0071","0.0016","90","","93.651","0.006","90","","1194.7","0.2","150","2","150","2","","","","","","","Synthsized","5","P 1 21/c 1","-P 2ybc","14","2-((E)-(2-bromophenylimino)methyl)-4-nitrophenol","2-((E)-(2-bromophenylimino)methyl)-4-nitrophenol","","- C13 H9 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0242","0.0203","","","0.0491","0.0518","","","","","","1.0598","","","","has coordinates","280124","2023-01-05","12:18:34",""
"7062195","26.0205","0.0013","6.8984","0.0004","15.7463","0.0008","90","","111.802","0.002","90","","2624.3","0.2","100","2","100","2","","","","","","","Synthesized","4","C 1 2/c 1","-C 2yc","15","Unk","2-((E)-(2-methoxyphenyliminio)methyl)-4-nitrophenolate dihydrate","","- C28 H27.18 N4 O10 -","- C28 H27.18 N4 O10 -","- C112 H108.72 N16 O40 -","4","0.5","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0628","0.0418","","","0.0994","0.1194","","","","","","1.0917","","","","has coordinates,has disorder","280124","2023-01-05","12:18:37",""
"7062196","7.5948","0.0012","11.5863","0.0018","14.055","0.002","90","","94.165","0.007","90","","1233.5","0.3","296","2","296","2","","","","","","","Synthesized","5","P 1 21/c 1","-P 2ybc","14","2-((E)-(2-bromophenyliminio)methyl)-4-nitrophenolate","2-((E)-(2-bromophenyliminio)methyl)-4-nitrophenolate","","- C13 H9 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0541","0.0325","","","0.0763","0.0856","","","","","","1.0137","","","","has coordinates","280124","2023-01-05","12:18:47",""
"7062197","26.0764","0.0013","6.9741","0.0004","15.7872","0.0007","90","","111.46","0.002","90","","2672","0.2","200","2","200","2","","","","","","","Synthesized","4","C 1 2/c 1","-C 2yc","15","","2-((E)-(2-methoxyphenyliminio)methyl)-4-nitrophenolate dihydrate","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C112 H112 N16 O40 -","8","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.065","0.041","","","0.101","0.1149","","","","","","1.0277","","","","has coordinates","280124","2023-01-05","12:18:47",""
"7062198","14.3061","0.0003","6.7681","0.0002","14.2305","0.0003","90","","106.83","0.002","90","","1318.85","0.06","294.8","0.3","294.8","0.3","","","","","","","Synthesized","5","C 1 2/m 1","-C 2y","12","2-((E)-(3-(trifluoromethyl)phenylimino)methyl)-4-nitrophenol","Unk","","- C14 H9 F3 N2 O3 -","- C14 H9 F3 N2 O3 -","- C56 H36 F12 N8 O12 -","4","0.5","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0561","0.051","","","0.1437","0.147","","","","","","1.139","","","","has coordinates,has disorder","280124","2023-01-05","12:18:47",""
"7062199","3.88381","0.0001","21.6182","0.0005","15.2697","0.0003","90","","96.652","0.002","90","","1273.43","0.05","298","2","298","","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","2-((E)-(4-methoxyphenylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.0386","0.0364","","","0.1045","0.1072","","","","","","1.1057","","","","has coordinates","280124","2023-01-05","12:18:47",""
"7062200","3.8231","0.0001","21.4681","0.0007","15.2134","0.0004","90","","96.223","0.003","90","","1241.28","0.06","149.98","0.1","149.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-nitro-N-[4-(methoxy)phenyl]salicylaldimine","2-((E)-(4-methoxyphenylimino)methyl-4-nitrophenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","1.54184","CuKα","","0.053","0.0475","","","0.1317","0.1369","","","","","","1.028","","","","has coordinates","280124","2023-01-05","12:18:47",""
"7062201","14.0772","0.0011","14.1814","0.0012","6.2335","0.0005","90","","95.379","0.004","90","","1238.94","0.17","230","2","230","2","","","","","","","Synthesized","4","P 1 21/c 1","-P 2ybc","14","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0693","0.0494","","","0.1374","0.1598","","","","","","1.083","","","","has coordinates,has disorder","280124","2023-01-05","12:18:48",""
"7062202","14.331","0.003","6.5948","0.0014","14.147","0.003","90","","107.308","0.006","90","","1276.5","0.5","150","2","150","","","","","","","","Synthesized","5","C 1 2/m 1","-C 2y","12","Unk","2-((E)-(3-(trifluoromethyl)phenylimino)methyl)-4-nitrophenol","","- C14 H9 F3 N2 O3 -","- C14 H9 F3 N2 O3 -","- C56 H36 F12 N8 O12 -","4","0.5","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0438","0.0335","","","0.087","0.1062","","","","","","1.1675","","","","has coordinates","280124","2023-01-05","12:18:48",""
"7062203","14.0746","0.0005","14.0175","0.0006","6.1991","0.0003","90","","95.245","0.002","90","","1217.9","0.09","200","2","200","2","","","","","","","Synthesized","4","P 1 21/c 1","-P 2ybc","14","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","2-((E)-(p-tolylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0541","0.0426","","","0.1172","0.1281","","","","","","1.04","","","","has coordinates,has disorder","280124","2023-01-05","12:18:48",""
"7062204","3.8169","0.0005","21.416","0.003","15.22","0.003","90","","96.042","0.005","90","","1237.2","0.3","150","2","150","","","","","","","","Synthesized","4","P 1 21/n 1","-P 2yn","14","","2-((E)-(4-methoxyphenylimino)methyl)-4-nitrophenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","","Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.","Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects","New Journal of Chemistry","2022","46","43","20940","20950","10.1039/D1NJ03056F","","x-ray","0.71073","MoKα","","0.0616","0.0407","","","0.0996","0.133","","","","","","1.206","","","","has coordinates","280124","2023-01-05","12:18:48",""
"7129379","25.44","0.004","25.44","0.004","7.34","0.0015","90","","90","","90","","4750.4","1.4","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C57 H48 N12 O8 -","- C57 H48 N12 O8 -","- C114 H96 N24 O16 -","2","0.25","","Muang-Non, Phonlakrit; Toop, Hamish D.; Doonan, Christian J.; White, Nicholas G.","Use of modulators and light to control crystallisation of a hydrogen bonded framework","Chemical Communications","2022","","","","","10.1039/D1CC06164J","","","0.71075","Synchrotron","","0.0558","0.0556","","","0.1808","0.1811","","","","","","1.092","","","","has coordinates","271331","2021-12-10","22:54:57",""
"7129380","25.779","0.004","25.779","0.004","7.43","0.0015","90","","90","","90","","4937.7","1.5","100","","100","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C61 H52 N8 O8 -","- C61 H52 N8 O8 -","- C122 H104 N16 O16 -","2","0.25","","Muang-Non, Phonlakrit; Toop, Hamish D.; Doonan, Christian J.; White, Nicholas G.","Use of modulators and light to control crystallisation of a hydrogen bonded framework","Chemical Communications","2022","","","","","10.1039/D1CC06164J","","","0.71075","Synchrotron","","0.0652","0.0647","","","0.1922","0.1934","","","","","","1.147","","","","has coordinates","271331","2021-12-10","22:55:06",""
"7129381","24.198","0.0009","13.168","0.0005","22.697","0.0008","90","","109.697","0.002","90","","6809","0.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br F5 O2 S Si2 -","- C10 H16 Br F5 O2 S Si2 -","- C160 H256 Br16 F80 O32 S16 Si32 -","16","2","","Le, Thanh V.; Daugulis, Olafs","In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes","Chemical Communications","2022","","","","","10.1039/D1CC06140B","","","1.54178","CuKα","","0.0517","0.0506","","","0.125","0.1256","","","","","","1.202","","","","has coordinates,has disorder","271446","2021-12-15","22:58:05",""
"7129382","11.9576","0.0003","15.6343","0.0003","9.2554","0.0002","90","","99.167","0.001","90","","1708.19","0.07","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F5 N O S Si -","- C15 H16 F5 N O S Si -","- C60 H64 F20 N4 O4 S4 Si4 -","4","1","","Le, Thanh V.; Daugulis, Olafs","In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes","Chemical Communications","2022","","","","","10.1039/D1CC06140B","","","1.54178","CuKα","","0.0306","0.0304","","","0.0788","0.0789","","","","","","1.042","","","","has coordinates","271446","2021-12-15","22:58:05",""
"7129383","11.6888","0.0005","12.0275","0.0005","18.7864","0.0007","89.43","0.001","85.981","0.001","68.952","0.001","2458.52","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 F6 O2 S Si2 -","- C10 H16 F6 O2 S Si2 -","- C60 H96 F36 O12 S6 Si12 -","6","3","","Le, Thanh V.; Daugulis, Olafs","In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes","Chemical Communications","2022","","","","","10.1039/D1CC06140B","","","1.54178","CuKα","","0.0378","0.0355","","","0.0909","0.0926","","","","","","1.041","","","","has coordinates","271446","2021-12-15","22:58:06",""
"7129384","10.2214","0.0001","11.1927","0.0001","13.9366","0.0001","97.609","0.001","94.698","0.001","113.844","0.001","1429.27","0.03","297","3","297","3","","","","","","","","5","P -1","-P 1","2","","","","- C18 H45 B10 N O3 -","- C18 H45 B10 N O3 -","- C36 H90 B20 N2 O6 -","2","1","","Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr","[closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials?","Chemical Communications","2022","","","","","10.1039/D1CC06485A","","x-ray","1.54184","CuKα","","0.0624","0.0591","","","0.1902","0.1945","","","","","","1.096","","","","has coordinates,has disorder","271447","2021-12-15","22:59:16",""
"7129385","9.3429","0.0002","10.3905","0.0002","18.4914","0.0003","84.664","0.002","82.609","0.001","64.955","0.002","1611.32","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H54.97 B10 Cl0.03 N3 O2 -","- C22 H54.972 B10 Cl0.028 N3 O2 -","- C44 H109.944 B20 Cl0.056 N6 O4 -","2","1","","Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr","[closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials?","Chemical Communications","2022","","","","","10.1039/D1CC06485A","","","1.54184","CuKα","","0.0434","0.0406","","","0.108","0.1103","","","","","","1.018","","","","has coordinates,has disorder","271447","2021-12-15","22:59:17",""
"7129386","8.8909","0.0004","9.1167","0.0005","9.7494","0.0004","89.142","0.004","84.441","0.003","80.01","0.004","774.6","0.06","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C6 H24 B10 N4 -","- C6 H24 B10 N4 -","- C12 H48 B20 N8 -","2","1","","Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr","[closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials?","Chemical Communications","2022","","","","","10.1039/D1CC06485A","","","1.54184","CuKα","","0.058","0.0538","","","0.1523","0.1581","","","","","","1.061","","","","has coordinates","271447","2021-12-15","22:59:17",""
"7129387","16.45359","0.00006","10.53655","0.00005","18.37001","0.00007","90","","97.1637","0.0004","90","","3159.84","0.02","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H58 B10 N2 O4 -","- C22 H58 B10 N2 O4 -","- C88 H232 B40 N8 O16 -","4","1","","Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr","[closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials?","Chemical Communications","2022","","","","","10.1039/D1CC06485A","","x-ray","1.54184","CuKα","","0.0545","0.0539","","","0.1446","0.145","","","","","","1.055","","","","has coordinates,has disorder","271447","2021-12-15","22:59:17",""
"7129388","8.5871","0.0006","22.0393","0.0015","11.572","0.0007","90","","90.532","0.002","90","","2189.9","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 I N2 O5 S -","- C23 H19 I N2 O5 S -","- C92 H76 I4 N8 O20 S4 -","4","1","","Hajra, Alakananda; Bhattacharjee, Suvam; Laru, Sudip","Remote Difunctionalization of 2H-Indazoles Using Koser’s Reagents","Chemical Communications","2022","","","","","10.1039/D1CC06129A","","","0.71073","MoKα","","0.0281","0.0235","","","0.052","0.0549","","","","","","1.05","","","","has coordinates","271448","2021-12-15","22:59:56",""
"7129389","34.9097","0.0006","34.9097","0.0006","34.9097","0.0006","90","","90","","90","","42544","1.3","100.01","0.1","100.15","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","NU-1701","","","- C28.36 H8.73 Ce4.36 N0.73 O20.73 -","- C28.3636 H8.72727 Ce4.36364 N0.727273 O20.7273 -","- C624 H192 Ce96 N16 O456 -","22","0.114583","","Knapp, Julia G.; Ray, Debmalya; Calio, Paul B.; Wasson, Megan C.; Scott, Thais R.; Gagliardi, Laura; Farha, Omar K.","Electron transitions in a Ce(iii)-catecholate metal–organic framework","Chemical Communications","2022","","","","","10.1039/D1CC06440A","","","0.71073","MoKα","","0.0491","0.0415","","","0.1167","0.1194","","","","","","1.084","","","","has coordinates,has disorder","271449","2021-12-15","23:00:38",""
"7129390","5.9841","0.0002","5.9841","0.0002","39.049","0.003","90","","90","","90","","1398.32","0.13","330","2","329.99","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C10 H32 Br7 N3 Pb2 -","- C10 H32 Br7 N3 Pb2 -","- C20 H64 Br14 N6 Pb4 -","2","0.0625","","Hua, Lina; Chen, Huaixi; Han, Shiguo; Xu, Haojie; Lu, Lei; Tang, Liwei; Wang, Beibei; Luo, Junhua; Sun, Zhihua","2D Hybrid perovskite incorporating cage-confined secondary ammonium cations toward effective photodetection","Chemical Communications","2022","","","","","10.1039/D1CC05705G","","","0.71073","MoKα","","0.0789","0.074","","","0.2186","0.2258","","","","","","1.2","","","","has coordinates,has disorder","271450","2021-12-15","23:01:16",""
"7129391","22.3717","0.0018","12.7201","0.001","10.8086","0.0008","90","","90","","90","","3075.8","0.4","100","","100","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H15 F7 I2 N2 O6 S2 -","- C24 H15 F7 I2 N2 O6 S2 -","- C96 H60 F28 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel Adam; Sun, Jiyu; Berryman, Orion","Halogen Bonding Organocatalysis Enhanced through Intramolecular Hydrogen Bonds","Chemical Communications","2022","","","","","10.1039/D1CC05475A","","x-ray","0.71073","MoKα","","0.0545","0.0389","","","0.0911","0.0994","","","","","","1.127","","","","has coordinates","271478","2021-12-16","22:54:30",""
"7129392","7.8488","0.0004","10.302","0.0006","18.2739","0.001","80.787","0.002","85.112","0.002","86.769","0.002","1451.86","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H15 F7 I2 N2 O6 S2 -","- C24 H15 F7 I2 N2 O6 S2 -","- C48 H30 F14 I4 N4 O12 S4 -","2","1","","Riel, Asia Marie S.; Decato, Daniel Adam; Sun, Jiyu; Berryman, Orion","Halogen Bonding Organocatalysis Enhanced through Intramolecular Hydrogen Bonds","Chemical Communications","2022","","","","","10.1039/D1CC05475A","","x-ray","0.71073","MoKα","","0.0401","0.0287","","","0.0647","0.0685","","","","","","1.069","","","","has coordinates","271478","2021-12-16","22:54:30",""
"7129393","8.6715","0.0002","9.0287","0.0003","17.7211","0.0005","90","","90","","90","","1387.43","0.07","169","2","169","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Dong, Kaiwu; Wang, Guangzhu; Ren, Xinyi; Shen, Chaoren","Ni-catalyzed Enantioselective Reductive Arylcyanation/Cyclization of N-(2-iodo-aryl) Acrylamide","Chemical Communications","2022","","","","","10.1039/D1CC04996H","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0625","0.0626","","","","","","1.067","","","","has coordinates","271479","2021-12-16","22:54:56",""
"7129394","19.0371","0.0005","12.9687","0.0003","34.8721","0.0012","90","","90","","90","","8609.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H52 B4 Fe N2 -","- C48 H52 B4 Fe N2 -","- C384 H416 B32 Fe8 N16 -","8","1","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0561","0.0491","","","0.1183","0.1222","","","","","","1.088","","","","has coordinates","271480","2021-12-16","22:56:02",""
"7129395","10.5782","0.0006","15.6055","0.001","12.3273","0.0007","90","","95.448","0.002","90","","2025.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B2 N -","- C24 H27 B2 N -","- C96 H108 B8 N4 -","4","1","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0536","0.0461","","","0.1348","0.1449","","","","","","1.151","","","","has coordinates","271480","2021-12-16","22:56:02",""
"7129396","12.0221","0.0012","30.358","0.003","32.27","0.003","90","","90","","90","","11777","2","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C66 H74 B4 Fe2 N2 -","- C66 H74 B4 Fe2 N2 -","- C528 H592 B32 Fe16 N16 -","8","0.25","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0464","0.0418","","","0.1119","0.1158","","","","","","1.07","","","","has coordinates","271480","2021-12-16","22:56:03",""
"7129397","16.3616","0.0018","17.7703","0.0019","16.512","0.002","90","","118.958","0.004","90","","4200.6","0.8","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H52 B4 Li2 N2 -","- C48 H52 B4 Li2 N2 -","- C192 H208 B16 Li8 N8 -","4","0.5","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0687","0.0645","","","0.1721","0.1752","","","","","","1.119","","","","has coordinates","271480","2021-12-16","22:56:03",""
"7129398","22.24","0.003","19.26","0.003","14.7633","0.0018","90","","115.266","0.003","90","","5718.8","1.4","100","2","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 N4 O6 Zn -","- C62 H78 N4 O6 Zn -","- C248 H312 N16 O24 Zn4 -","4","0.5","","Dastidar, Parthasarathi; Biswas, Protap; Datta, Hemanta Kumar","Multi-NSAIDs Based Zn(II) Coordination Complex Derived Metallogelators/Metallogels as Plausible Multi-drug Self-delivery Systems","Chemical Communications","2022","","","","","10.1039/D1CC05334E","","","0.71073","MoKα","","0.1275","0.0595","","","0.1271","0.1683","","","","","","1.034","","","","has coordinates,has disorder","271482","2021-12-16","22:57:15",""
"7129399","24.685","0.002","15.1086","0.0012","16.9734","0.0013","90","","115.536","0.005","90","","5711.9","0.8","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 F2 N4 O6 Zn -","- C66 H68 F2 N4 O6 Zn -","- C264 H272 F8 N16 O24 Zn4 -","4","0.5","","Dastidar, Parthasarathi; Biswas, Protap; Datta, Hemanta Kumar","Multi-NSAIDs Based Zn(II) Coordination Complex Derived Metallogelators/Metallogels as Plausible Multi-drug Self-delivery Systems","Chemical Communications","2022","","","","","10.1039/D1CC05334E","","","0.71073","MoKα","","0.1629","0.096","","","0.2185","0.2615","","","","","","1.043","","","","has coordinates,has disorder","271482","2021-12-16","22:57:16",""
"7129400","25.9","0.1","13.99","0.05","16.6","0.06","90","","90","","90","","6015","4","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C64 H64 Cl4 N6 O6 Zn -","- C64 H64 Cl4 N6 O6 Zn -","- C256 H256 Cl16 N24 O24 Zn4 -","4","0.5","","Dastidar, Parthasarathi; Biswas, Protap; Datta, Hemanta Kumar","Multi-NSAIDs Based Zn(II) Coordination Complex Derived Metallogelators/Metallogels as Plausible Multi-drug Self-delivery Systems","Chemical Communications","2022","","","","","10.1039/D1CC05334E","","","0.71073","MoKα","","0.2528","0.0892","","","0.1742","0.2438","","","","","","0.969","","","","has coordinates","271482","2021-12-16","22:57:16",""
"7129401","16.161","0.002","11.7499","0.0016","17.9","0.003","90","","109.313","0.006","90","","3207.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N6 O6 Pd S2 -","- C30 H40 N6 O6 Pd S2 -","- C120 H160 N24 O24 Pd4 S8 -","4","1","","García-García, Amalia; Rojas, Sara; Rivas Garcia, Lorenzo; Navarro-Hortal, María; Romero-Márquez, José; Fernandez-Bolanos, Jose G; Choquesillo-Lazarte, Duane; Salinas-Castillo, Alfonso; Lopez, Oscar; Quiles, José L.; Rodríguez Diéguez, Antonio","A Gliclazide Complex based on Palladium towards Alzheimer’s Disease: Promising Protective Activity against Aβ-induced Toxicity in C. Elegans","Chemical Communications","2022","","","","","10.1039/D1CC04404D","","","0.71073","MoKα","","0.1012","0.0598","","","0.1414","0.1821","","","","","","1.199","","","","has coordinates","271483","2021-12-16","22:57:56",""
"7129402","21.8956","0.0012","23.8229","0.0009","12.4303","0.0007","90","","99.295","0.004","90","","6398.7","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Li O P Si2 -","- C32 H48 Li O P Si2 -","- C256 H384 Li8 O8 P8 Si16 -","8","2","","Sun, Xiaofei; Singh, Akhil Kumar; Yadav, Ravi; Jin, Da; Haimerl, Maria; Scheer, Manfred; Roesky, Peter W.","Triple-decker complexes incorporating three distinct deck architectures","Chemical Communications","2022","","","","","10.1039/D1CC06182H","","x-ray","0.71073","MoKα","","0.0998","0.0639","","","0.1652","0.1848","","","","","","1.025","","","","has coordinates,has disorder","271504","2021-12-17","22:53:42",""
"7129403","26.1239","0.0005","19.7028","0.0002","24.2819","0.0005","90","","113.349","0.002","90","","11474.7","0.4","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C102 H144 As10 Fe2 Li4 O2 Pb2 Si4 -","- C102 H144 As10 Fe2 Li4 O2 Pb2 Si4 -","- C408 H576 As40 Fe8 Li16 O8 Pb8 Si16 -","4","1","","Sun, Xiaofei; Singh, Akhil Kumar; Yadav, Ravi; Jin, Da; Haimerl, Maria; Scheer, Manfred; Roesky, Peter W.","Triple-decker complexes incorporating three distinct deck architectures","Chemical Communications","2022","","","","","10.1039/D1CC06182H","","x-ray","1.34143","GaKα","","0.049","0.0347","","","0.0856","0.0892","","","","","","1.05","","","","has coordinates,has disorder","271504","2021-12-17","22:53:43",""
"7129404","29.2638","0.0011","13.1463","0.0006","30.0306","0.0011","90","","103.39","0.003","90","","11239","0.8","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C102 H144 Fe2 Li4 O2 P10 Pb2 Si4 -","- C102 H144 Fe2 Li4 O2 P10 Pb2 Si4 -","- C408 H576 Fe8 Li16 O8 P40 Pb8 Si16 -","4","0.5","","Sun, Xiaofei; Singh, Akhil Kumar; Yadav, Ravi; Jin, Da; Haimerl, Maria; Scheer, Manfred; Roesky, Peter W.","Triple-decker complexes incorporating three distinct deck architectures","Chemical Communications","2022","","","","","10.1039/D1CC06182H","","x-ray","1.34143","GaKα","","0.0684","0.0304","","","0.0487","0.0533","","","","","","0.77","","","","has coordinates","271504","2021-12-17","22:53:43",""
"7129405","6.9337","0.0001","7.0937","0.0002","18.3067","0.0005","90","","90","","90","","900.43","0.04","100","2","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H B F3 K -","- C2 H B F3 K -","- C16 H8 B8 F24 K8 -","8","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","x-ray","1.54184","CuKα","","0.0277","0.026","","","0.0687","0.07","","","","","","1.084","","","","has coordinates","271505","2021-12-17","22:55:08",""
"7129406","7.4162","0.0001","13.694","0.0002","7.4904","0.0001","90","","105.738","0.001","90","","732.189","0.018","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H B K N3 -","- C5 H B K N3 -","- C20 H4 B4 K4 N12 -","4","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","x-ray","1.54184","CuKα","","0.0287","0.0283","","","0.0763","0.0767","","","","","","1.061","","","","has coordinates","271505","2021-12-17","22:55:09",""
"7129407","10.713","0.0004","8.4048","0.0002","7.9608","0.0003","90","","104.381","0.004","90","","694.34","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 B F K N2 -","- C4 H5 B F K N2 -","- C16 H20 B4 F4 K4 N8 -","4","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","","1.54184","CuKα","","0.0447","0.0409","","","0.105","0.1092","","","","","","1.075","","","","has coordinates","271505","2021-12-17","22:55:09",""
"7129408","8.5049","0.0002","12.8513","0.0002","7.1205","0.0002","90","","94.55","0.002","90","","775.81","0.03","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 B K N3 -","- C5 H3 B K N3 -","- C20 H12 B4 K4 N12 -","4","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","x-ray","1.54184","CuKα","","0.0356","0.0343","","","0.0959","0.0969","","","","","","1.064","","","","has coordinates","271505","2021-12-17","22:55:09",""
"7129409","7.012","0.0001","12.1801","0.0003","7.7061","0.0002","90","","95.232","0.002","90","","655.41","0.03","100","2","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H B F K N2 -","- C4 H B F K N2 -","- C16 H4 B4 F4 K4 N8 -","4","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","x-ray","1.54184","CuKα","","0.0235","0.0231","","","0.063","0.0633","","","","","","1.065","","","","has coordinates","271505","2021-12-17","22:55:09",""
"7129410","9.7205","0.0001","13.8586","0.0003","15.5058","0.0002","74.003","0.002","89.658","0.001","82.48","0.001","1989.68","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 B6 F6 K6 N12 -","- C24 H18 B6 F6 K6 N12 -","- C48 H36 B12 F12 K12 N24 -","2","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","","0.71073","MoKα","","0.0438","0.0331","","","0.0835","0.0872","","","","","","1.059","","","","has coordinates,has disorder","271505","2021-12-17","22:55:09",""
"7129411","9.7159","0.0017","13.065","0.002","13.542","0.002","104.319","0.004","107.514","0.004","108.505","0.003","1438.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H104 B8 N12 Sm4 -","- C28 H104 B8 N12 Sm4 -","- C28 H104 B8 N12 Sm4 -","1","0.5","","Kirkina, Vladislava A.; Kissel, Alexander; Selikhov, Alexander N.; Nelyubina, Yulia V.; Filippov, Oleg A.; Belkova, Natalia; Trifonov, Alexander; Shubina, Elena","Amine–Boranes Reactions Promoted by Lanthanide(II) Ions","Chemical Communications","2022","","","","","10.1039/D1CC06401K","","","0.71073","MoKα","","0.1309","0.0815","","","0.1839","0.2077","","","","","","1.062","","","","has coordinates","271506","2021-12-17","22:56:01",""
"7129412","10.3781","0.0004","12.5474","0.0004","17.7027","0.0006","90","","90","","90","","2305.21","0.14","120","","120","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H44 B4 N4 O2 Yb -","- C12 H44 B4 N4 O2 Yb -","- C48 H176 B16 N16 O8 Yb4 -","4","0.5","","Kirkina, Vladislava A.; Kissel, Alexander; Selikhov, Alexander N.; Nelyubina, Yulia V.; Filippov, Oleg A.; Belkova, Natalia; Trifonov, Alexander; Shubina, Elena","Amine–Boranes Reactions Promoted by Lanthanide(II) Ions","Chemical Communications","2022","","","","","10.1039/D1CC06401K","","","0.71073","MoKα","","0.0321","0.0164","","","0.0347","0.0418","","","","","","1.066","","","","has coordinates","271506","2021-12-17","22:56:02",""
"7129413","23.159","0.003","23.159","0.003","70.11","0.014","90","","90","","120","","32565","9","103","2","103","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O27 Zn8 -","- C90 H48 O27 Zn8 -","- C1080 H576 O324 Zn96 -","12","0.333333","","Ma, Yunsheng; Tang, Xiaoyan; Chen, Ming; Mishima, Akio; Li, Liangchun; Hori, Akihiro; Wu, Xiaoyu; Ding, Lifeng; Kusaka, Shinpei; Matsuda, Ryotaro","Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility","Chemical Communications","2022","","","","","10.1039/D1CC05893B","","","0.71073","MoKα","","0.1521","0.1464","","","0.3804","0.3839","","","","","","1.105","","","","has coordinates","271507","2021-12-17","22:56:44",""
"7129414","19.3732","0.0009","19.3732","0.0009","78.804","0.003","90","","90","","120","","25614.2","1.9","103","2","103","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O27 Zn8 -","- C90 H48 O27 Zn8 -","- C1080 H576 O324 Zn96 -","12","0.333333","","Ma, Yunsheng; Tang, Xiaoyan; Chen, Ming; Mishima, Akio; Li, Liangchun; Hori, Akihiro; Wu, Xiaoyu; Ding, Lifeng; Kusaka, Shinpei; Matsuda, Ryotaro","Design of a MOF based on octa-nuclear zinc clusters realizing both thermal stability and structural flexibility","Chemical Communications","2022","","","","","10.1039/D1CC05893B","","","0.71073","MoKα","","0.2269","0.1275","","","0.3326","0.3693","","","","","","1.216","","","","has coordinates","271507","2021-12-17","22:56:45",""
"7129415","37.8827","0.001","8.5799","0.0003","21.8681","0.0006","90","","103.021","0.001","90","","6925","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N6 O2 Se2 -","- C36 H40 N6 O2 Se2 -","- C288 H320 N48 O16 Se16 -","8","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0517","0.033","","","0.0774","0.0863","","","","","","1.035","","","","has coordinates","271508","2021-12-17","22:58:00",""
"7129416","3.9549","0.0004","10.6225","0.0013","10.6802","0.0011","98.127","0.004","98.311","0.003","98.368","0.004","433.16","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O -","- C11 H9 N O -","- C22 H18 N2 O2 -","2","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0577","0.0409","","","0.0981","0.11","","","","","","1.053","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129417","8.055","0.004","10.096","0.006","11.687","0.005","90","","90","","90","","950.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0845","","","","","","1.035","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129418","7.6504","0.0004","10.252","0.0005","11.9536","0.0005","90","","90","","90","","937.54","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O S -","- C11 H8 O S -","- C44 H32 O4 S4 -","4","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0382","0.0337","","","0.0841","0.0879","","","","","","1.07","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129419","5.6958","0.0004","14.7552","0.001","12.4061","0.001","90","","101.086","0.002","90","","1023.19","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0444","0.0368","","","0.0907","0.0974","","","","","","1.04","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129420","19.017","0.004","23.361","0.005","21.208","0.004","90","","90","","90","","9422","3","100","2","100","2","","","","","","","","5","A m m 2","A 2 -2","38","UAM-1","","","- C21.5 H16.5 N8.5 O22.5 Zr3 -","- C20.5 H15.25 N8.5 O16.5 Zr3 -","- C164 H122 N68 O132 Zr24 -","8","1","","Gimeno-Fonquernie, Pol; Liang, W.; Albalad, Jorge; Kuznicki, Andrew; Price, Jason; Bloch, Eric D.; Doonan, Christian J.; Sumby, Christopher J.","Templated synthesis of zirconium(IV)-based metal-organic layers (MOLs) with accessible chelating sites","Chemical Communications","2022","","","","","10.1039/D1CC06443F","","","0.6888","Synchrotron","","0.1005","0.0855","","","0.2614","0.2837","","","","","","1.183","","","","has coordinates,has disorder","271515","2021-12-18","22:53:07",""
"7129421","22.738","0.003","22.738","0.003","28.593","0.006","90","","90","","90","","14783","4","100","","100","","","","","","","","","7","I 4/m m m","-I 4 2","139","UAM-2","","","- C18 H12 Cu2 I2 N8 O16 Zr3 -","- C18 H12 Cu2 I2 N8 O16 Zr3 -","- C144 H96 Cu16 I16 N64 O128 Zr24 -","8","0.25","","Gimeno-Fonquernie, Pol; Liang, W.; Albalad, Jorge; Kuznicki, Andrew; Price, Jason; Bloch, Eric D.; Doonan, Christian J.; Sumby, Christopher J.","Templated synthesis of zirconium(IV)-based metal-organic layers (MOLs) with accessible chelating sites","Chemical Communications","2022","","","","","10.1039/D1CC06443F","","","0.71073","Synchrotron","","0.0751","0.074","","","0.2295","0.2306","","","","","","1.079","","","","has coordinates","271515","2021-12-18","22:53:08",""
"7129422","22.646","0.002","12.3273","0.0011","8.5158","0.0007","90","","90","","90","","2377.3","0.4","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H28 B2 Br2 Cl4 N6 -","- C16 H28 B2 Br2 Cl4 N6 -","- C64 H112 B8 Br8 Cl16 N24 -","4","0.5","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0475","0.0324","","","0.0608","0.0668","","","","","","1.063","","","","has coordinates","271516","2021-12-18","22:54:48",""
"7129423","12.739","0.002","15.667","0.003","10.1279","0.0018","90","","91.214","0.007","90","","2020.9","0.6","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H24 B2 N8 S2 -","- C16 H24 B2 N8 S2 -","- C64 H96 B8 N32 S8 -","4","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0792","0.0672","","","0.1832","0.2","","","","","","1.064","","","","has coordinates,has disorder","271516","2021-12-18","22:54:48",""
"7129424","15.8187","0.0018","13.1616","0.0015","8.5854","0.001","90","","99.123","0.003","90","","1764.9","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B2 N12 -","- C14 H24 B2 N12 -","- C56 H96 B8 N48 -","4","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.1022","0.0905","","","0.225","0.2297","","","","","","1.161","","","","has coordinates","271516","2021-12-18","22:54:49",""
"7129425","9.3122","0.0004","10.849","0.0004","13.3508","0.0006","77.93","0.002","84.754","0.002","67.245","0.002","1216.24","0.09","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C16 H26 B2 Br Cl2 F3 N6 O3 S -","- C16 H26 B2 Br Cl2 F3 N6 O3 S -","- C32 H52 B4 Br2 Cl4 F6 N12 O6 S2 -","2","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0261","0.0232","","","0.0594","0.0613","","","","","","1.034","","","","has coordinates","271516","2021-12-18","22:54:49",""
"7129426","9.2288","0.0004","10.8961","0.0005","13.2949","0.0006","77.6","0.002","84.277","0.002","67.063","0.002","1202.29","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C8 H13 B Cl1.5 F1.5 N3 O1.5 S0.5 -","- C8 H13 B Cl1.5 F1.5 N3 O1.5 S0.5 -","- C32 H52 B4 Cl6 F6 N12 O6 S2 -","4","2","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.0402","0.0344","","","0.0852","0.089","","","","","","1.062","","","","has coordinates","271516","2021-12-18","22:54:49",""
"7129427","49.546","0.002","8.894","0.0004","14.6374","0.0007","90","","90","","90","","6450.1","0.5","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H24 B2 F3 N7 O3 S2 -","- C16 H24 B2 F3 N7 O3 S2 -","- C192 H288 B24 F36 N84 O36 S24 -","12","3","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.078","0.0731","","","0.1945","0.1983","","","","","","1.12","","","","has coordinates,has disorder","271516","2021-12-18","22:54:49",""
"7129428","16.7035","0.001","15.5342","0.0009","16.8091","0.001","90","","90","","90","","4361.5","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 B2 Br N7 S -","- C15 H23 B2 Br N7 S -","- C120 H184 B16 Br8 N56 S8 -","8","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.1105","0.094","","","0.2102","0.2208","","","","","","1.122","","","","has coordinates,has disorder","271516","2021-12-18","22:54:49",""
"7129429","8.0248","0.0003","9.5325","0.0005","10.9187","0.0005","82.054","0.002","77.986","0.002","69.701","0.002","764.22","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","","Sureshbabu, Popuri; Bhajammanavar, Vinod; Subramanian, Venkatesan; Choutipalli, Venkata Surya Kumar; Baidya, Mahiuddin","Unorthodox cascade reaction of arynes and N-nitrosamides leading to indazole scaffolds","Chemical Communications","2022","","","","","10.1039/D1CC05655G","","","0.71073","MoKα","","0.0462","0.0333","","","0.0817","0.091","","","","","","1.021","","","","has coordinates","271541","2021-12-20","22:53:15",""
"7129430","4.3661","0.0004","23.242","0.002","12.7698","0.0012","90","","95.256","0.003","90","","1290.4","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Sureshbabu, Popuri; Bhajammanavar, Vinod; Subramanian, Venkatesan; Choutipalli, Venkata Surya Kumar; Baidya, Mahiuddin","Unorthodox cascade reaction of arynes and N-nitrosamides leading to indazole scaffolds","Chemical Communications","2022","","","","","10.1039/D1CC05655G","","","0.71073","MoKα","","0.0196","0.0179","","","0.0455","0.0459","","","","","","1.051","","","","has coordinates","271541","2021-12-20","22:53:16",""
"7129431","11.935","0.0006","13.4552","0.0006","13.4592","0.0006","73.74","0.002","85.81","0.002","76.741","0.002","2019.53","0.16","110.15","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H58 Au2 N6 -","- C42 H58 Au2 N6 -","- C84 H116 Au4 N12 -","2","1","","Arras, Janet; Ugarte Trejo, Omar; Bhuvanesh, Nattamai; Stollenz, Michael","Non-conventional hydrogen bonding and dispersion forces that support embedding mesitylgold into a tailored bis(amidine) framework","Chemical Communications","2022","","","","","10.1039/D1CC06065A","","","0.71073","MoKα","","0.0321","0.0236","","","0.0582","0.0612","","","","","","1.081","","","","has coordinates","271542","2021-12-20","22:53:49",""
"7129432","8.169","0.0001","16.3425","0.0003","10.9598","0.0002","90","","94.261","0.001","90","","1459.11","0.04","299.34","0.1","299.34","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H44 O5 -","- C33 H44 O5 -","- C66 H88 O10 -","2","1","","Zhao, Tian-Tian; Yu, Wan-Lei; Feng, Zhitao; Qin, Hao-Ni; Zheng, Haixue; Xu, Peng-Fei","Photoredox/Nickel Dual Catalyzed Stereospecific Synthesis of Distal Alkenyl Ketones","Chemical Communications","2022","","","","","10.1039/D1CC06566A","","x-ray","1.54184","CuKα","","0.044","0.0403","","","0.12","0.1253","","","","","","0.945","","","","has coordinates","271543","2021-12-20","22:54:10",""
"7129433","29.6894","0.001","29.6894","0.001","29.6894","0.001","90","","90","","90","","26170","1.5","100","2","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H198 O33 U3 Yb6 -","- C90 H198 O33 U3 Yb6 -","- C720 H1584 O264 U24 Yb48 -","8","0.333333","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0546","0.0382","","","0.0817","0.0956","","","","","","1.185","","","","has coordinates","271561","2021-12-21","22:56:04",""
"7129434","14.5453","0.0016","16.8302","0.0017","19.905","0.002","90","","93.193","0.004","90","","4865.2","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H80 Gd2 O11 U -","- C36 H80 Gd2 O11 U -","- C144 H320 Gd8 O44 U4 -","4","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.1305","0.07","","","0.1143","0.1327","","","","","","1.016","","","","has coordinates","271561","2021-12-21","22:56:05",""
"7129435","19.351","0.002","17.629","0.002","16.5056","0.0019","90","","124.648","0.004","90","","4632.2","0.9","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C58 H120 Ho4 O24 U2 -","- C58 H120 Ho4 O24 U2 -","- C116 H240 Ho8 O48 U4 -","2","0.25","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.065","0.0565","","","0.1363","0.142","","","","","","1.179","","","","has coordinates,has disorder","271561","2021-12-21","22:56:06",""
"7129436","11.2945","0.0005","24.6729","0.0011","17.641","0.0007","90","","94.931","0.002","90","","4897.8","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H80 O11 Sm2 U -","- C36 H80 O11 Sm2 U -","- C144 H320 O44 Sm8 U4 -","4","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0409","0.0321","","","0.0701","0.0738","","","","","","1.037","","","","has coordinates","271561","2021-12-21","22:56:06",""
"7129437","24.442","0.002","29.447","0.003","12.7021","0.001","90","","90","","90","","9142.3","1.4","100","","100","","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C120 H264 O44 Sm8 U4 -","- C120 H264 O44 Sm8 U4 -","- C240 H528 O88 Sm16 U8 -","2","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0663","0.0426","","","0.0871","0.0967","","","","","","1.027","","","","has coordinates","271561","2021-12-21","22:56:06",""
"7129438","10.539","0.0006","10.9635","0.0006","21.2841","0.0013","85.16","0.002","88.706","0.002","79.534","0.002","2409.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H81 Ho2 Li O11 U -","- C36 H81 Ho2 Li O11 U -","- C72 H162 Ho4 Li2 O22 U2 -","2","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0394","0.0323","","","0.0667","0.0696","","","","","","1.101","","","","has coordinates","271561","2021-12-21","22:56:06",""
"7129439","14.0962","0.0005","22.0046","0.0008","17.7241","0.0007","90","","90","","90","","5497.7","0.4","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H92 Ho3 O14 U -","- C40 H92 Ho3 O14 U -","- C160 H368 Ho12 O56 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0247","0.0226","","","0.0541","0.0557","","","","","","1.103","","","","has coordinates,has disorder","271561","2021-12-21","22:56:06",""
"7129440","16.4891","0.0013","17.6043","0.0014","32.61","0.003","90","","99.701","0.003","90","","9330.6","1.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H144 Gd4 O22 U2 -","- C72 H144 Gd4 O22 U2 -","- C288 H576 Gd16 O88 U8 -","4","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.1036","0.0911","","","0.2064","0.211","","","","","","1.367","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7129441","14.1829","0.0011","21.6096","0.0013","17.8158","0.0015","90","","90","","90","","5460.3","0.7","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H92 Cl Ho3 O13 U -","- C40 H91.5 Cl Ho3 O13 U -","- C160 H366 Cl4 Ho12 O52 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0559","0.0362","","","0.0896","0.1044","","","","","","1.111","","","","has coordinates,has disorder","271561","2021-12-21","22:56:07",""
"7129442","15.2728","0.0007","16.2896","0.0007","20.7284","0.0009","104.64","0.003","90.796","0.004","106.853","0.003","4754","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H144 Nd4 O22 U2 -","- C72 H144 Nd4 O22 U2 -","- C144 H288 Nd8 O44 U4 -","2","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.1111","0.0494","","","0.0969","0.1179","","","","","","0.872","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7129443","16.5252","0.0013","17.6822","0.0013","32.478","0.003","90","","99.612","0.005","90","","9356.9","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H142 Dy4 O22 U2 -","- C72 H142 Dy4 O22 U2 -","- C288 H568 Dy16 O88 U8 -","4","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","1.54178","CuKα","","0.106","0.0751","","","0.1639","0.1845","","","","","","1.09","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7129444","29.7219","0.0005","29.7219","0.0005","29.7219","0.0005","90","","90","","90","","26256.1","0.8","100","","100","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H198 Ho6 O33 U3 -","- C90 H198 Ho6 O33 U3 -","- C720 H1584 Ho48 O264 U24 -","8","0.333333","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0411","0.0307","","","0.0663","0.071","","","","","","1.07","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7129445","14.2375","0.0008","21.626","0.0013","17.8051","0.0008","90","","90","","90","","5482.2","0.5","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H91 Cl Dy3 O13 U -","- C40 H91 Cl Dy3 O13 U -","- C160 H364 Cl4 Dy12 O52 U4 -","4","0.5","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0348","0.023","","","0.0471","0.0506","","","","","","1.027","","","","has coordinates,has disorder","271561","2021-12-21","22:56:07",""
"7129446","11.0759","0.0014","13.4602","0.0017","20.604","0.003","89.721","0.005","85.951","0.005","67.983","0.004","2839.8","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H94 Ho2 K O12 U -","- C43 H94 Ho2 K O12 U -","- C86 H188 Ho4 K2 O24 U2 -","2","1","","Grödler, Dennis; Weidemann, Martin L.; Lichtenberg, Andreas; Greven, Tobias; Nickstadt, Robin; Haydo, Malek; Wickleder, Mathias; Klein, Axel; Johrendt, Dirk; Mathur, Sanjay; Zegke, Markus; Raauf, Aida","Heterobimetallic uranyl(vi) alkoxides of lanthanoids: formation through simple ligand exchange","Chemical Communications","2022","","","","","10.1039/D1CC05444A","","","0.71073","MoKα","","0.0731","0.0638","","","0.1661","0.1724","","","","","","1.218","","","","has coordinates","271561","2021-12-21","22:56:07",""
"7129447","11.1552","0.0004","22.3576","0.0007","11.9838","0.0004","90","","112.862","0.0015","90","","2754.01","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N4 Ni O6 S4 -","- C20 H20 F6 N4 Ni O6 S4 -","- C80 H80 F24 N16 Ni4 O24 S16 -","4","1","","Sinha, Soumalya; Tran, Giang N.; Na, Hanah; Mirica, Liviu M.","Electrocatalytic H2 evolution promoted by a bioinspired (N2S2)Ni(II) complex","Chemical Communications","2022","","","","","10.1039/D1CC05139C","","","0.71073","MoKα","","0.0675","0.0383","","","0.0791","0.0896","","","","","","1.021","","","","has coordinates","271562","2021-12-21","22:57:45",""
"7129448","6.4404","0.0004","9.087","0.0006","9.8469","0.0007","96.339","0.004","93.28","0.004","102.199","0.004","557.9","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O -","- C14 H15 N O -","- C28 H30 N2 O2 -","2","1","","Yu, Bao; selkti, mohamed; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Silver oxide(I) promoted Conia-ene/radical cyclization for a straightforward access to furan derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06379K","","","1.54178","CuKα","","0.0421","0.0387","","","0.0954","0.0977","","","","","","1.062","","","","has coordinates","271563","2021-12-21","22:58:17",""
"7129449","8.4783","0.0003","9.2024","0.0003","10.0482","0.0003","73.376","0.001","69.531","0.001","88.284","0.001","701.62","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Yu, Bao; selkti, mohamed; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy","Silver oxide(I) promoted Conia-ene/radical cyclization for a straightforward access to furan derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06379K","","","0.71073","MoKα","","0.0384","0.0345","","","0.0983","0.103","","","","","","1.039","","","","has coordinates","271563","2021-12-21","22:58:18",""
"7129450","7.4761","0.0003","18.294","0.0007","8.6517","0.0004","90","","109.547","0.005","90","","1115.08","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3b-9","","- C11 H10 N O -","- C10.4 H8 N1.6 O1.6 -","- C52 H40 N8 O8 -","5","1.25","","Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin","Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones","Chemical Communications","2022","","","","","10.1039/D1CC06110K","","x-ray","0.71073","MoKα","","0.0705","0.0552","","","0.1175","0.1229","","","","","","1.156","","","","has coordinates","271564","2021-12-21","22:59:13",""
"7129451","8.2919","0.0003","8.7725","0.0004","13.1099","0.0005","101.494","0.003","94.001","0.003","110.869","0.004","862.81","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","zqlu3i-7","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C42 H36 N4 O2 -","2","1","","Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin","Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones","Chemical Communications","2022","","","","","10.1039/D1CC06110K","","x-ray","0.71073","MoKα","","0.0763","0.0608","","","0.1432","0.1527","","","","","","1.113","","","","has coordinates","271564","2021-12-21","22:59:13",""
"7129452","10.7326","0.0005","16.1644","0.0007","9.2583","0.0005","90","","115.115","0.007","90","","1454.33","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3j-1","","- C11 H10 Cl0.08 N O -","- C5.53846 H3.69231 Cl0.307692 N0.307692 O0.307692 -","- C72 H48 Cl4 N4 O4 -","13","3.25","","Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin","Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones","Chemical Communications","2022","","","","","10.1039/D1CC06110K","","x-ray","0.71073","MoKα","","0.0727","0.0498","","","0.1093","0.1215","","","","","","1.056","","","","has coordinates","271564","2021-12-21","22:59:14",""
"7129453","7.7331","0.0011","20.6428","0.0019","12.1338","0.0015","90","","94.067","0.011","90","","1932.1","0.4","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 F2 O4 -","- C22 H20 F2 O4 -","- C88 H80 F8 O16 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Agarwal, Vishal; Sharada, Duddu Savaraiah","Ester directed orthogonal dual C-H activation and ortho aryl C-H alkenylation via distal weak coordination","Chemical Communications","2022","","","","","10.1039/D1CC06097J","","","0.71073","MoKα","","0.1453","0.094","","","0.2446","0.2798","","","","","","1.041","","","","has coordinates","271586","2021-12-22","22:52:18",""
"7129454","10.4394","0.0004","21.1659","0.0007","15.5452","0.0005","90","","100.403","0.002","90","","3378.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Ga N2 Sb -","- C33 H52 Ga N2 Sb -","- C132 H208 Ga4 N8 Sb4 -","4","1","","Schneider, Selina; von Hänisch, Carsten","Trapping reactions with highly unstable hydrides of antimony and bismuth","Chemical Communications","2022","","","","","10.1039/D1CC06741A","","x-ray","0.71073","MoKα","","0.0246","0.0224","","","0.0622","0.0629","","","","","","1.0707","","","","has coordinates,has disorder","271587","2021-12-22","22:53:39",""
"7129455","16.3919","0.0016","18.5682","0.0013","13.8017","0.0011","90","","90.248","0.007","90","","4200.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H120 Bi2 Cl2 Ga2 N4 -","- C90 H120 Bi2 Cl2 Ga2 N4 -","- C180 H240 Bi4 Cl4 Ga4 N8 -","2","0.5","","Schneider, Selina; von Hänisch, Carsten","Trapping reactions with highly unstable hydrides of antimony and bismuth","Chemical Communications","2022","","","","","10.1039/D1CC06741A","","x-ray","0.71073","MoKα","","0.0426","0.027","","","0.0594","0.0612","","","","","","0.963","","","","has coordinates","271587","2021-12-22","22:53:39",""
"7129456","12.267","0.0005","14.2718","0.0006","19.6277","0.0009","90","","99.647","0.002","90","","3387.7","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H90 Bi2 Ga2 N4 -","- C60 H90 Bi2 Ga2 N4 -","- C120 H180 Bi4 Ga4 N8 -","2","0.5","","Schneider, Selina; von Hänisch, Carsten","Trapping reactions with highly unstable hydrides of antimony and bismuth","Chemical Communications","2022","","","","","10.1039/D1CC06741A","","x-ray","0.71073","MoKα","","0.0744","0.0566","","","0.1549","0.164","","","","","","1.044","","","","has coordinates,has disorder","271587","2021-12-22","22:53:40",""
"7129457","11.9815","0.0006","19.7185","0.0008","25.2053","0.0012","97.837","0.002","93.446","0.002","96.306","0.002","5846.5","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H85 Bi Cl2 Ga2 N4 -","- C59 H85 Bi Cl2 Ga2 N4 -","- C236 H340 Bi4 Cl8 Ga8 N16 -","4","2","","Schneider, Selina; von Hänisch, Carsten","Trapping reactions with highly unstable hydrides of antimony and bismuth","Chemical Communications","2022","","","","","10.1039/D1CC06741A","","x-ray","0.71073","MoKα","","0.0474","0.0294","","","0.0595","0.0618","","","","","","1.067","","","","has coordinates,has disorder","271587","2021-12-22","22:53:40",""
"7129458","14.3525","0.0011","15.4208","0.0013","17.6984","0.0014","105.047","0.006","100.889","0.006","98.819","0.007","3629.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H87 Bi Cl2 Ga2 N4 -","- C64 H87 Bi Cl2 Ga2 N4 -","- C128 H174 Bi2 Cl4 Ga4 N8 -","2","1","","Schneider, Selina; von Hänisch, Carsten","Trapping reactions with highly unstable hydrides of antimony and bismuth","Chemical Communications","2022","","","","","10.1039/D1CC06741A","","x-ray","0.71073","MoKα","","0.0364","0.0276","","","0.0681","0.0702","","","","","","0.9302","","","","has coordinates","271587","2021-12-22","22:53:40",""
"7129459","17.8696","0.0018","19.298","0.0019","19.609","0.002","64.1427","0.0014","64.881","0.0014","62.8442","0.0014","5195.3","0.9","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H36 F9 N2 O15 S3 U -","- C21 H36 F9 N2 O15 S3 U -","- C126 H216 F54 N12 O90 S18 U6 -","6","3","","Goodwin, Conrad A. P.; Ciccone, Sierra R.; Bekoe, Samuel; Majumdar, Sourav; Scott, Brian L.; Ziller, Joseph W.; Gaunt, Andrew J.; Furche, Filipp; Evans, William J.","2.2.2-Cryptand complexes of neptunium(iii) and plutonium(iii)","Chemical Communications","2022","","","","","10.1039/D1CC05904A","","","0.71073","MoKα","","0.0577","0.044","","","0.1121","0.1194","","","","","","1.039","","","","has coordinates,has disorder","271605","2021-12-23","22:53:06",""
"7129460","18.231","0.003","19.555","0.003","19.607","0.003","64.334","0.016","64.496","0.016","62.224","0.017","5340.2","1.8","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H36 F9 N2 O15 Pu S3 -","- C21 H36 F9 N2 O15 Pu S3 -","- C126 H216 F54 N12 O90 Pu6 S18 -","6","3","","Goodwin, Conrad A. P.; Ciccone, Sierra R.; Bekoe, Samuel; Majumdar, Sourav; Scott, Brian L.; Ziller, Joseph W.; Gaunt, Andrew J.; Furche, Filipp; Evans, William J.","2.2.2-Cryptand complexes of neptunium(iii) and plutonium(iii)","Chemical Communications","2022","","","","","10.1039/D1CC05904A","","x-ray","0.71073","MoKα","","0.095","0.0657","","","0.1667","0.196","","","","","","1.024","","","","has coordinates,has disorder","271605","2021-12-23","22:53:07",""
"7129461","18.1717","0.0006","19.5134","0.0006","19.6504","0.0006","63.878","0.003","64.737","0.003","62.556","0.003","5328.5","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H36 F9 N2 Np O15 S3 -","- C21 H36 F9 N2 Np O15 S3 -","- C126 H216 F54 N12 Np6 O90 S18 -","6","3","","Goodwin, Conrad A. P.; Ciccone, Sierra R.; Bekoe, Samuel; Majumdar, Sourav; Scott, Brian L.; Ziller, Joseph W.; Gaunt, Andrew J.; Furche, Filipp; Evans, William J.","2.2.2-Cryptand complexes of neptunium(iii) and plutonium(iii)","Chemical Communications","2022","","","","","10.1039/D1CC05904A","","x-ray","0.71073","MoKα","","0.113","0.0671","","","0.1559","0.1888","","","","","","1.04","","","","has coordinates,has disorder","271605","2021-12-23","22:53:07",""
"7129462","9.116","0.0003","9.3511","0.0003","9.717","0.0003","88.072","0.002","65.61","0.003","66.567","0.003","683.68","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Harrowven, David; Sun, Wei; Kayal, Surajit; Raimbach, William; Sun, Xue-Zhong; Light, Mark E.; Hanson-Heine, Magnus W.D.; George, Michael W.","Wavelength Dependent Photoextrusion and Tandem Photoextrusion Reactions of Ninhydrin bis-Acetals for the Synthesis of 8-Ring Lactones, Benzocyclobutenes and Orthoanhydrides.","Chemical Communications","2022","","","","","10.1039/D1CC06800H","","x-ray","0.71073","MoKα","","0.0378","0.0366","","","0.0949","0.096","","","","","","1.059","","","","has coordinates","271606","2021-12-23","22:54:41",""
"7129463","18.0338","0.0003","11.1597","0.00019","14.0652","0.0003","90","","97.5402","0.0018","90","","2806.17","0.09","302.01","0.1","302.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C128 H128 F8 N8 O16 -","8","1","","Ma, Ben; Sun, Rong-Xia; Yang, Jingya","Cobalt-Catalyzed Direct α-Hydroxymethylation of Amides with Methanol as a C1 Source","Chemical Communications","2022","","","","","10.1039/D1CC06501G","","x-ray","1.54184","CuKα","","0.0443","0.0416","","","0.1168","0.1195","","","","","","1.035","","","","has coordinates","271607","2021-12-23","22:55:05",""
"7129464","13.6464","0.001","15.4879","0.0012","11.0636","0.0008","90","","108.52","0.002","90","","2217.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Au Cl N2 O -","- C25 H36 Au Cl N2 O -","- C100 H144 Au4 Cl4 N8 O4 -","4","1","","Bakhonsky, Vladyslav; Becker, Jonathan; Mlostoń, Grzegorz; Schreiner, Peter Richard","N-Alkoxyimidazolylidines (NOHCs): Nucleophilic carbenes based on oxidized imidazolium core","Chemical Communications","2022","","","","","10.1039/D1CC05696D","","","0.71073","MoKα","","0.073","0.0418","","","0.0739","0.0821","","","","","","1.046","","","","has coordinates","271608","2021-12-23","22:55:28",""
"7129465","5.3032","0.0001","8.3138","0.0002","24.477","0.0007","90","","90","","90","","1079.18","0.05","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F O2 S -","- C13 H9 F O2 S -","- C52 H36 F4 O8 S4 -","4","1","","Dai, Yun; Meng, Wei; Feng, Xiangqing; Du, Haifeng","Chiral FLPs-Catalyzed Asymmetric Hydrogenation of 3-Fluorinated Chromones","Chemical Communications","2022","","","","","10.1039/D1CC06964K","","x-ray","0.71073","MoKα","","0.027","0.0257","","","0.0722","0.0729","","","","","","1.039","","","","has coordinates,has disorder","271619","2021-12-24","23:06:55",""
"7129466","15.8519","0.0013","10.8312","0.0008","16.0462","0.0012","90","","90","","90","","2755.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 Cl Ge N2 P -","- C27 H40 Cl Ge N2 P -","- C108 H160 Cl4 Ge4 N8 P4 -","4","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","0.71073","MoKα","","0.1342","0.0891","","","0.2074","0.2518","","","","","","0.993","","","","has coordinates","271620","2021-12-24","23:08:14",""
"7129467","14.931","0.002","9.1937","0.0013","16.339","0.002","90","","107.054","0.005","90","","2144.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl Ge N2 P -","- C21 H28 Cl Ge N2 P -","- C84 H112 Cl4 Ge4 N8 P4 -","4","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","0.71073","MoKα","","0.1112","0.0594","","","0.1148","0.1359","","","","","","1.013","","","","has coordinates","271620","2021-12-24","23:08:14",""
"7129468","9.0774","0.0003","10.813","0.0003","12.0946","0.0003","66.6525","0.0011","72.9065","0.001","80.3782","0.0011","1040.04","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Ge2 N4 P2 -","- C42 H56 Ge2 N4 P2 -","- C42 H56 Ge2 N4 P2 -","1","0.5","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","0.71073","MoKα","","0.0877","0.0499","","","0.0881","0.1031","","","","","","1.05","","","","has coordinates","271620","2021-12-24","23:08:14",""
"7129469","16.844","0.0006","12.6688","0.0006","25.5968","0.0013","90","","103.5","0.004","90","","5311.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Ge2 N4 P2 -","- C54 H80 Ge2 N4 P2 -","- C216 H320 Ge8 N16 P8 -","4","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","1.54178","CuKα","","0.1434","0.0888","","","0.218","0.2473","","","","","","1.076","","","","has coordinates","271620","2021-12-24","23:08:15",""
"7129470","13.5796","0.0014","13.6534","0.0015","15.0168","0.0017","90","","94.063","0.006","90","","2777.2","0.5","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C55 H80 Ge2 N4 O2 P2 -","- C55 H80 Ge2 N4 O2 P2 -","- C110 H160 Ge4 N8 O4 P4 -","2","1","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","","1.54178","CuKα","","0.0643","0.0582","","","0.1489","0.1575","","","","","","1.03","","","","has coordinates,has disorder","271620","2021-12-24","23:08:15",""
"7129471","12.3583","0.0008","19.8949","0.0011","24.912","0.0016","102.273","0.003","98.169","0.004","89.971","0.003","5921.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.75 H76 Ge2 N4 P2 -","- C64.75 H76 Ge2 N4 P2 -","- C259 H304 Ge8 N16 P8 -","4","2","","Fan, Jun; Quek, Shina; Yang, Ming-Chung; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","Reversible CO2 activation by a N-phosphinoamidinato digermyne","Chemical Communications","2022","","","","","10.1039/D1CC05391D","","x-ray","0.71073","MoKα","","0.142","0.0921","","","0.1906","0.215","","","","","","1.06","","","","has coordinates,has disorder","271620","2021-12-24","23:08:15",""
"7129472","21.028","0.004","11.443","0.002","15.478","0.003","90","","113.67","0.03","90","","3411","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Br N O S -","- C20 H14 Br N O S -","- C160 H112 Br8 N8 O8 S8 -","8","1","","Gao, Zhe; Jiang, Di; Li, Bin; Wang, Baiquan","Rhodium-catalyzed denitrogenative gem-difunctionalization of pyridotriazoles with thioesters: formal carbene insertion into C(O)–S bonds","Chemical Communications","2022","","","","","10.1039/D1CC06041D","","","0.71073","MoKα","","0.0529","0.0358","","","0.07","0.0749","","","","","","1.029","","","","has coordinates","271621","2021-12-24","23:09:00",""
"7129473","12.6733","0.0001","12.6733","0.0001","17.5398","0.0002","90","","90","","120","","2439.69","0.04","100","0.1","100","0.1","","","","","","","","8","R -3 :H","-R 3","148","","","","- C32 H24 B2 F6 N6 O6 Ru S2 -","- C31.9998 H24 B2 F5.9994 N6 O5.9994 Ru S1.9998 -","- C95.9994 H72 B6 F17.9982 N18 O17.9982 Ru3 S5.9994 -","3","0.166667","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","x-ray","1.54184","CuKα","","0.0336","0.0335","","","0.0938","0.0939","","","","","","1.131","","","","has coordinates,has disorder","271622","2021-12-24","23:09:59",""
"7129474","8.9535","0.00015","9.465","0.0002","14.7807","0.0003","101.358","0.0017","107.338","0.0016","98.0218","0.0016","1145.66","0.04","100","1","99.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C42 H36 B2 Br2 F6 N8 O8 Ru S2 -","- C42 H36 B2 Br2 F6 N8 O8 Ru S2 -","- C42 H36 B2 Br2 F6 N8 O8 Ru S2 -","1","0.5","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","x-ray","1.54178","CuKα","","0.0542","0.051","","","0.1336","0.1365","","","","","","1.123","","","","has coordinates","271622","2021-12-24","23:10:03",""
"7129475","35.524","0.0004","35.524","0.0004","9.9139","0.0001","90","","90","","120","","10834.7","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 N6 Ru -","- C50 H50 B2 N6 Ru -","- C450 H450 B18 N54 Ru9 -","9","0.5","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","","1.54178","CuKα","","0.0403","0.0343","","","0.0905","0.0919","","","","","","1.023","","","","has coordinates","271622","2021-12-24","23:10:13",""
"7129476","23.0601","0.0006","9.7294","0.0002","18.0199","0.0005","90","","94.508","0.001","90","","4030.45","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 N6 Ru -","- C48 H44 B2 N6 Ru -","- C192 H176 B8 N24 Ru4 -","4","0.5","","Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder","Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes","Chemical Communications","2022","","","","","10.1039/D1CC06181J","","","1.54178","CuKα","","0.0293","0.0253","","","0.0598","0.0618","","","","","","1.059","","","","has coordinates","271622","2021-12-24","23:10:13",""
"7129477","11.213","0.004","7.512","0.002","18.352","0.006","90","","95.058","0.011","90","","1539.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F N2 O -","- C22 H13 F N2 O -","- C88 H52 F4 N8 O4 -","4","1","","Subbarayappa, Adimurthy; Semwal, Rashmi; Bhadani, Gaurav","Pd-Catalyzed annulation of imidazo[1,2-a]pyridines with coumarins and indoles: Synthesis of benzofuran and indole fused heterocycles","Chemical Communications","2022","","","","","10.1039/D1CC06803B","","","0.71073","MoKα","","0.1202","0.0607","","","0.1552","0.1928","","","","","","1.085","","","","has coordinates","271623","2021-12-24","23:11:03",""
"7129478","17.667","0.002","13.2247","0.0015","7.127","0.0007","90","","98.212","0.005","90","","1648.1","0.3","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","2","","Subbarayappa, Adimurthy; Semwal, Rashmi; Bhadani, Gaurav","Pd-Catalyzed annulation of imidazo[1,2-a]pyridines with coumarins and indoles: Synthesis of benzofuran and indole fused heterocycles","Chemical Communications","2022","","","","","10.1039/D1CC06803B","","","0.71073","MoKα","","0.1066","0.0548","","","0.1116","0.1328","","","","","","0.999","","","","has coordinates","271623","2021-12-24","23:11:03",""
"7129479","7.4116","0.0003","7.88224","0.00009","10.6922","0.0002","92.907","0.0014","94.961","0.002","94.097","0.002","619.69","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 I N -","- C12 H8 F4 I N -","- C24 H16 F8 I2 N2 -","2","1","","Mix, Andreas; Lamm, Jan-Hendrik; Schwabedissen, Jan; Gebel, Erich; Stammler, Georg; Mitzel, Norbert Werner","Monitoring dynamic pre-crystallization aggregation processes in solution by VT-DOSY NMR spectroscopy","Chemical Communications","2022","","","","","10.1039/D1CC05925D","","x-ray","0.71073","MoKα","","0.0177","0.0173","","","0.0476","0.0477","","","","","","1.078","","","","has coordinates","271624","2021-12-24","23:11:29",""
"7129480","7.4279","0.0002","7.9778","0.0002","11.0063","0.0004","90","","97.478","0.003","90","","646.67","0.03","232","0.1","232","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H8 F4 I N -","- C12 H8 F4 I N -","- C24 H16 F8 I2 N2 -","2","1","","Mix, Andreas; Lamm, Jan-Hendrik; Schwabedissen, Jan; Gebel, Erich; Stammler, Georg; Mitzel, Norbert Werner","Monitoring dynamic pre-crystallization aggregation processes in solution by VT-DOSY NMR spectroscopy","Chemical Communications","2022","","","","","10.1039/D1CC05925D","","x-ray","0.71073","MoKα","","0.0223","0.019","","","0.0432","0.0442","","","","","","1.098","","","","has coordinates,has disorder","271624","2021-12-24","23:11:29",""
"7129481","16.6713","0.0008","16.2931","0.0006","20.9884","0.0008","90","","105.296","0.001","90","","5499.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N2 -","- C58 H56 N2 -","- C232 H224 N8 -","4","1","","Sun, Qiang; Liu, Min; Ruan, Huapeng; Chen, Chao; Zhao, Yue; Tan, Gengwen; Wang, Xinping","The <i>cis</i>/<i>trans</i> conformation approach for tuning the magnetic coupling in a diradical: isolation of pure pyridine-based diradical dianions.","Chemical communications (Cambridge, England)","2022","58","11","1708","1711","10.1039/d1cc05661a","","","0.71073","MoKα","","0.089","0.0573","","","0.1458","0.1653","","","","","","1.017","","","","has coordinates","272556","2022-02-04","19:03:41",""
"7129482","11.5553","0.0009","17.2021","0.0014","17.342","0.0013","90","","107.153","0.005","90","","3293.8","0.5","193","","193.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 K N O2 -","- C37 H44 K N O2 -","- C148 H176 K4 N4 O8 -","4","1","","Sun, Qiang; Liu, Min; Ruan, Huapeng; Chen, Chao; Zhao, Yue; Tan, Gengwen; Wang, Xinping","The <i>cis</i>/<i>trans</i> conformation approach for tuning the magnetic coupling in a diradical: isolation of pure pyridine-based diradical dianions.","Chemical communications (Cambridge, England)","2022","58","11","1708","1711","10.1039/d1cc05661a","","","1.34139","GaKα","","0.1284","0.0679","","","0.1802","0.2134","","","","","","1.072","","","","has coordinates,has disorder","272556","2022-02-04","19:03:42",""
"7129483","19.7899","0.0016","20.4638","0.0019","22.71","0.002","90","","98.184","0.006","90","","9103.4","1.4","192.98","","192.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H52 K N O6 -","- C41 H52 K N O6 -","- C328 H416 K8 N8 O48 -","8","1","","Sun, Qiang; Liu, Min; Ruan, Huapeng; Chen, Chao; Zhao, Yue; Tan, Gengwen; Wang, Xinping","The <i>cis</i>/<i>trans</i> conformation approach for tuning the magnetic coupling in a diradical: isolation of pure pyridine-based diradical dianions.","Chemical communications (Cambridge, England)","2022","58","11","1708","1711","10.1039/d1cc05661a","","","1.34139","GaKα","","0.2045","0.1166","","","0.2828","0.3363","","","","","","1.261","","","","has coordinates","272556","2022-02-04","19:03:42",""
"7129484","24.4379","0.0019","17.5485","0.0014","39.122","0.003","90","","102.922","0.002","90","","16353","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C164 H142 Au8 P8 -","- C164 H142 Au8 P8 -","- C656 H568 Au32 P32 -","4","1","","Lu, Hui; Chen, Bin; Li, Yu; Shi, Jiye; Li, Jiang; Wang, Lihua; Luo, Shihua; Fan, Chunhai; Shen, Jianlei; Chen, Jing","Benzyl-rich ligand engineering of the photostability of atomically precise gold nanoclusters","Chemical Communications","2022","","","","","10.1039/D1CC06467C","","","1.34138","GaKα","","0.0581","0.0521","","","0.1619","0.1669","","","","","","1.01","","","","has coordinates,has disorder","271656","2021-12-31","23:00:15",""
"7129485","21.632","0.002","19.298","0.002","24.055","0.002","90","","113.934","0.003","90","","9178.4","1.5","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C160 H156 Au8 B2 P8 -","- C160 H156 Au8 B2 P8 -","- C320 H312 Au16 B4 P16 -","2","0.5","","Lu, Hui; Chen, Bin; Li, Yu; Shi, Jiye; Li, Jiang; Wang, Lihua; Luo, Shihua; Fan, Chunhai; Shen, Jianlei; Chen, Jing","Benzyl-rich ligand engineering of the photostability of atomically precise gold nanoclusters","Chemical Communications","2022","","","","","10.1039/D1CC06467C","","","0.71073","MoKα","","0.2594","0.127","","","0.295","0.3929","","","","","","1.035","","","","has coordinates","271656","2021-12-31","23:00:16",""
"7129486","18.9535","0.0019","19.0583","0.0017","24.088","0.002","90","","108.192","0.003","90","","8266.2","1.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C148 H132 Au8 N2 P8 -","- C148 H132 Au8 N2 P8 -","- C296 H264 Au16 N4 P16 -","2","0.5","","Lu, Hui; Chen, Bin; Li, Yu; Shi, Jiye; Li, Jiang; Wang, Lihua; Luo, Shihua; Fan, Chunhai; Shen, Jianlei; Chen, Jing","Benzyl-rich ligand engineering of the photostability of atomically precise gold nanoclusters","Chemical Communications","2022","","","","","10.1039/D1CC06467C","","","0.71073","MoKα","","0.1033","0.0539","","","0.1247","0.1539","","","","","","1.013","","","","has coordinates","271656","2021-12-31","23:00:16",""
"7129487","11.714","0.0013","9.9926","0.0012","16.775","0.002","90","","98.713","0.007","90","","1940.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O7 -","- C23 H21 N O7 -","- C92 H84 N4 O28 -","4","1","","Vygranenko, Kateryna V.; Poronik, Yevgen M.; Bousquet, Manon H. E.; Vakuliuk, Olena; Jacquemin, Denis; Gryko, Daniel T.","Direct transformation of coumarins into orange-red emitting rhodols.","Chemical communications (Cambridge, England)","2022","58","10","1542","1545","10.1039/d1cc06924a","","","1.54178","CuKα","","0.0726","0.0493","","","0.118","0.1329","","","","","","1.015","","","","has coordinates","272559","2022-02-04","19:04:40",""
"7129488","11.3428","0.0005","20.3876","0.0009","8.5895","0.0004","90","","93.145","0.003","90","","1983.35","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O7 -","- C23 H21 N O7 -","- C92 H84 N4 O28 -","4","1","","Vygranenko, Kateryna V.; Poronik, Yevgen M.; Bousquet, Manon H. E.; Vakuliuk, Olena; Jacquemin, Denis; Gryko, Daniel T.","Direct transformation of coumarins into orange-red emitting rhodols.","Chemical communications (Cambridge, England)","2022","58","10","1542","1545","10.1039/d1cc06924a","","","1.54178","CuKα","","0.2244","0.0738","","","0.1727","0.237","","","","","","0.989","","","","has coordinates","272559","2022-02-04","19:04:41",""
"7129489","24.0801","0.0004","24.0801","0.0004","25.4757","0.0004","90","","90","","120","","12793","0.4","150","2","149.99","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C36 H106.2 Cu12 N36 Nb21 O111 Te15 -","- C36 H156 Cu12 N36 Nb21 O102 Te15 -","- C72 H312 Cu24 N72 Nb42 O204 Te30 -","2","0.166667","","Cheng, Mengyuan; Liu, Yufeng; Li, Nan; Shi, Jingwen; Du, Weixin; Zhang, Dongdi; Yang, Guoping; Wang, Guan; Niu, Jingyang","Two novel telluroniobates with efficient catalytic activity for the imidation/amidation reaction","Chemical Communications","2022","","","","","10.1039/D1CC06781H","","","0.71073","MoKα","","0.0527","0.0401","","","0.0996","0.11","","","","","","1.04","","","","has coordinates,has disorder","271790","2022-01-04","22:51:46",""
"7129490","26.59","0.004","27.526","0.005","23.91","0.004","90","","90","","90","","17500","5","273","2","273.15","","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C20 H72 Cu5 N20 Na2 Nb14 O70.5 Te10 -","- C20 H72 Cu5 N20 Na2 Nb14 O70.5 Te10 -","- C80 H288 Cu20 N80 Na8 Nb56 O282 Te40 -","4","0.5","","Cheng, Mengyuan; Liu, Yufeng; Li, Nan; Shi, Jingwen; Du, Weixin; Zhang, Dongdi; Yang, Guoping; Wang, Guan; Niu, Jingyang","Two novel telluroniobates with efficient catalytic activity for the imidation/amidation reaction","Chemical Communications","2022","","","","","10.1039/D1CC06781H","","","0.71073","MoKα","","0.074","0.0537","","","0.1551","0.17","","","","","","1.063","","","","has coordinates,has disorder","271790","2022-01-04","22:51:47",""
"7129491","18.7324","0.0016","13.6027","0.0016","46.542","0.004","90","","96.679","0.003","90","","11779","2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H70 B2 Br2 Cl6 N4 -","- C55 H70 B2 Br2 Cl6 N4 -","- C440 H560 B16 Br16 Cl48 N32 -","8","2","","Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles","Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.","Chemical communications (Cambridge, England)","2022","58","10","1589","1592","10.1039/d1cc06365k","","x-ray","0.71073","MoKα","","0.1215","0.0673","","","0.1497","0.1709","","","","","","0.976","","","","has coordinates","272558","2022-02-04","19:04:25",""
"7129492","8.3499","0.0007","20.1352","0.0016","12.4684","0.0009","90","","92.264","0.003","90","","2094.6","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B N -","- C26 H30 B N -","- C104 H120 B4 N4 -","4","1","","Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles","Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.","Chemical communications (Cambridge, England)","2022","58","10","1589","1592","10.1039/d1cc06365k","","x-ray","0.71073","MoKα","","0.0789","0.0617","","","0.1367","0.1459","","","","","","1.107","","","","has coordinates","272558","2022-02-04","19:04:31",""
"7129493","11.5003","0.0011","10.5542","0.001","18.008","0.002","90","","90.335","0.004","90","","2185.7","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N -","- C27 H32 B N -","- C108 H128 B4 N4 -","4","1","","Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles","Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.","Chemical communications (Cambridge, England)","2022","58","10","1589","1592","10.1039/d1cc06365k","","x-ray","0.71073","MoKα","","0.1222","0.065","","","0.1395","0.1703","","","","","","1.029","","","","has coordinates,has disorder","272558","2022-02-04","19:04:31",""
"7129494","8.4771","0.0014","20.873","0.003","11.7953","0.0016","90","","94.067","0.005","90","","2081.8","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 B N -","- C25 H28 B N -","- C100 H112 B4 N4 -","4","1","","Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles","Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.","Chemical communications (Cambridge, England)","2022","58","10","1589","1592","10.1039/d1cc06365k","","x-ray","0.71073","MoKα","","0.0757","0.054","","","0.1557","0.1766","","","","","","1.002","","","","has coordinates","272558","2022-02-04","19:04:31",""
"7129495","12.7903","0.0007","14.197","0.0006","14.4995","0.0008","67.958","0.001","74.535","0.002","80.531","0.001","2345.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 F6 I2 O4 -","- C50 H50 F6 I2 O4 -","- C100 H100 F12 I4 O8 -","2","1","","Li, Guobi; Smith, Rhett; Gembicky, Milan; Rheingold, Arnold L.; Protasiewicz, John D.","Sterically crowded 1,4-diiodobenzene as a precursor to difunctional hypervalent iodine compounds","Chemical Communications","2022","","","","","10.1039/D1CC06486J","","","0.71073","MoKα","","0.0284","0.0233","","","0.06","0.0634","","","","","","1.031","","","","has coordinates","271792","2022-01-04","22:53:51",""
"7129496","21.96","0.0004","15.2357","0.0003","18.1317","0.0004","90","","90","","90","","6066.4","0.2","100","","100","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C54 H64 I2 O8 -","- C54 H64 I2 O8 -","- C216 H256 I8 O32 -","4","0.5","","Li, Guobi; Smith, Rhett; Gembicky, Milan; Rheingold, Arnold L.; Protasiewicz, John D.","Sterically crowded 1,4-diiodobenzene as a precursor to difunctional hypervalent iodine compounds","Chemical Communications","2022","","","","","10.1039/D1CC06486J","","x-ray","0.71073","MoKα","K-L~3~","0.076","0.0385","","","0.0918","0.1196","","","","","","1.007","","","","has coordinates,has disorder","271792","2022-01-04","22:54:01",""
"7129497","14.6645","0.0003","6.1554","0.0001","20.4618","0.0005","90","","107.871","0.002","90","","1757.88","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Das, Amrita; Chatani, Naoto","Rh(i)-catalysed imine-directed C–H functionalization via the oxidative [3 + 2] cycloaddition of benzylamine derivatives with maleimides","Chemical Communications","2022","","","","","10.1039/D1CC06622F","","x-ray","1.54184","CuKα","","0.0413","0.037","","","0.0966","0.1002","","","","","","1.035","","","","has coordinates","271793","2022-01-04","22:54:52",""
"7129498","10.7589","0.0002","7.7499","0.0001","16.8477","0.0003","90","","100.056","0.002","90","","1383.19","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","","Das, Amrita; Chatani, Naoto","Rh(i)-catalysed imine-directed C–H functionalization via the oxidative [3 + 2] cycloaddition of benzylamine derivatives with maleimides","Chemical Communications","2022","","","","","10.1039/D1CC06622F","","x-ray","1.54184","CuKα","","0.0381","0.0358","","","0.0954","0.0976","","","","","","1.057","","","","has coordinates","271793","2022-01-04","22:54:52",""
"7129499","10.838","0.003","12.08","0.003","20.065","0.005","90","","96.319","0.005","90","","2611","1.2","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl N3 O2 Os -","- C24 H34 Cl N3 O2 Os -","- C96 H136 Cl4 N12 O8 Os4 -","4","1","","Ye, Meng; Huang, Wan-Qiong; Li, Zi-Xin; Wang, Chuan-Xian; Liu, Tao; Chen, Yun-Zhou; Hor, Catherine Hong-Huan; Man, Wai-Lun; Ni, Wen-Xiu","An Osmium(VI) Nitride Triggers Mitochondria-induced Oncosis and Apoptosis","Chemical Communications","2022","","","","","10.1039/D1CC05148B","","","0.71073","MoKα","","0.0224","0.0188","","","0.0508","0.0526","","","","","","1.059","","","","has coordinates","271794","2022-01-04","22:55:31",""
"7129500","12.2766","0.0007","17.6234","0.001","17.1711","0.001","90","","90","","90","","3715.1","0.4","149.99","","149.99","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H31 B3 Cl8 N6 -","- C32 H31 B3 Cl8 N6 -","- C128 H124 B12 Cl32 N24 -","4","0.5","","Thompson, Brena L.; Kieffer, Ian A.; Heiden, Zachariah M.","Utilization of BODIPY-based redox events to manipulate the Lewis acidity of fluorescent boranes","Chemical Communications","2022","","","","","10.1039/D1CC06400B","","","0.71073","MoKα","","0.0537","0.0424","","","0.0964","0.1058","","","","","","1.052","","","","has coordinates","271796","2022-01-04","22:58:02",""
"7129501","15.178","0.009","12.668","0.007","14.669","0.008","90","","98.939","0.008","90","","2786","3","100.3","","100.3","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B3 Cl2 F4 N6 -","- C27 H23 B3 Cl2 F4 N6 -","- C108 H92 B12 Cl8 F16 N24 -","4","1","","Thompson, Brena L.; Kieffer, Ian A.; Heiden, Zachariah M.","Utilization of BODIPY-based redox events to manipulate the Lewis acidity of fluorescent boranes","Chemical Communications","2022","","","","","10.1039/D1CC06400B","","","0.71073","MoKα","","0.229","0.0987","","","0.2486","0.3273","","","","","","1.0527","","","","has coordinates","271796","2022-01-04","22:58:12",""
"7129502","16.8153","0.0011","8.7366","0.0005","12.2243","0.0007","90","","102.655","0.002","90","","1752.23","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F6 N O4 -","- C15 H15 F6 N O4 -","- C60 H60 F24 N4 O16 -","4","1","","Wang, Juan; Liu, Shuai; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling","Photoredox catalyzed C–H trifluoroethylamination of heteroarenes","Chemical Communications","2022","","","","","10.1039/D1CC06688A","","","0.71073","MoKα","","0.0584","0.043","","","0.1058","0.1192","","","","","","1.032","","","","has coordinates,has disorder","271811","2022-01-05","22:49:31",""
"7129503","10.5525","0.0015","38.111","0.005","9.0256","0.0012","90","","105.355","0.004","90","","3500.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 F3 N2 O2 -","- C16 H19 F3 N2 O2 -","- C128 H152 F24 N16 O16 -","8","2","","Wang, Juan; Liu, Shuai; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling","Photoredox catalyzed C–H trifluoroethylamination of heteroarenes","Chemical Communications","2022","","","","","10.1039/D1CC06688A","","","0.71073","MoKα","","0.1664","0.118","","","0.348","0.3998","","","","","","1.414","","","","has coordinates","271811","2022-01-05","22:49:31",""
"7129504","7.262","0.006","10.514","0.006","11.343","0.008","90","","97.63","0.03","90","","858.4","1.1","250","2","250","2","","","","","","","","5","P 1 21 1","P 2yb","4","LM_Chlorine_250K","","","- C17 H20 Cl N3 O -","- C17 H20 Cl N3 O -","- C34 H40 Cl2 N6 O2 -","2","1","","Mollari, Leonardo; Valle-Amores, Miguel A.; Martínez-Gualda, Ana M.; Marzo, Leyre; Fraile, Alberto; Aleman, José","Asymmetric synthesis of cyclic β-amino carbonyl derivatives by a formal [3 + 2] photocycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC05867C","","","0.71073","MoKα","","0.16","0.07","","","0.1627","0.1939","","","","","","1.009","","","","has coordinates,has disorder","271812","2022-01-05","22:51:02",""
"7129505","10.0084","0.0005","11.0369","0.0006","13.369","0.0007","90","","90","","90","","1476.76","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LM-no lo se_150K","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Mollari, Leonardo; Valle-Amores, Miguel A.; Martínez-Gualda, Ana M.; Marzo, Leyre; Fraile, Alberto; Aleman, José","Asymmetric synthesis of cyclic β-amino carbonyl derivatives by a formal [3 + 2] photocycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC05867C","","","0.71073","MoKα","","0.0447","0.0357","","","0.0858","0.0902","","","","","","1.033","","","","has coordinates","271812","2022-01-05","22:51:03",""
"7129506","13.9205","0.0007","11.2461","0.0005","15.0429","0.0006","90","","115.758","0.005","90","","2120.99","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H14 Cu F20 N6 -","- C48 H14 Cu F20 N6 -","- C96 H28 Cu2 F40 N12 -","2","0.5","","Kosugi, Kento; Kashima, Hina; Kondo, Mio; Masaoka, Shigeyuki","Copper(II) tetrakis(pentafluorophenyl)porphyrin: Highly Active Copper-based Molecular Catalyst for Electrochemical CO2 Reduction","Chemical Communications","2022","","","","","10.1039/D1CC05880K","","x-ray","0.71073","MoKα","","0.1455","0.0954","","","0.2199","0.2428","","","","","","1.16","","","","has coordinates,has disorder","271813","2022-01-05","22:51:29",""
"7129507","16.7642","0.001","20.8125","0.0013","18.6567","0.0012","90","","94.942","0.002","90","","6485.2","0.7","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H70 O10 -","- C65 H70 O10 -","- C260 H280 O40 -","4","1","","Yao, Yong; Wang, Yang; Wang, Di; Wang, Jian; Wang, Chenwei; Wang, Jin; Ding, Yue","Pillar[5]arene derived covalent organic materials with pre-encoded molecular recognition for targeted and synergistic cancer photo- and chemotherapy","Chemical Communications","2022","","","","","10.1039/D1CC07072J","","","0.71073","MoKα","","0.1375","0.0605","","","0.1644","0.1918","","","","","","1.022","","","","has coordinates","271887","2022-01-06","22:51:21",""
"7129508","12.709","0.009","12.889","0.009","13.598","0.008","90","","91.23","0.02","90","","2227","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl6 Cu4 N4 O5 -","- C24 H20 Cl6 Cu4 N4 O5 -","- C48 H40 Cl12 Cu8 N8 O10 -","2","1","","Chen, Xueli; Chen, Kongyao; Li, Gaojie; Huang, Chao; Zhang, Ying-Ying; Feng, Yanling; Qin, Na; Luo, Jiahuan; Chen, Weihua; Mi, Liwei","Tetrakaidecahedron-shaped Cu four-core supramolecular as novel high-performance electrode material for lithium-ion batteries","Chemical Communications","2022","","","","","10.1039/D1CC05878A","","","0.71073","MoKα","","0.0699","0.0674","","","0.2186","0.2245","","","","","","1.109","","","","has coordinates","271888","2022-01-06","22:52:44",""
"7129509","13.9132","0.0006","10.6234","0.0005","12.9987","0.0007","90","","90","","90","","1921.28","0.16","200","0.1","200","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","2D MOF","","- C11 H21 Ag4 F3 O2 S3 -","- C11 H21 Ag4 F3 O2 S3 -","- C44 H84 Ag16 F12 O8 S12 -","4","1","","Gong, Chun-Hua; Hu, Xiaozong; Han, Zhen; Liu, Xiao-Fei; Yang, Min-Zi; Zang, Shuang-Quan","Epitaxial Coordination Assembly of Semi-conductive Silver-chalcogenide Layer-based MOF","Chemical Communications","2022","","","","","10.1039/D1CC07160B","","x-ray","0.71073","MoKα","","0.0427","0.0317","","","0.085","0.1192","","","","","","1.198","","","","has coordinates","271889","2022-01-06","22:53:20",""
"7129510","11.251","0.0004","19.6897","0.0006","12.4126","0.0005","90","","109.191","0.004","90","","2596.94","0.17","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Ag6 O4 S4 -","- C17 H29 Ag6 O4 S4 -","- C68 H116 Ag24 O16 S16 -","4","1","","Gong, Chun-Hua; Hu, Xiaozong; Han, Zhen; Liu, Xiao-Fei; Yang, Min-Zi; Zang, Shuang-Quan","Epitaxial Coordination Assembly of Semi-conductive Silver-chalcogenide Layer-based MOF","Chemical Communications","2022","","","","","10.1039/D1CC07160B","","x-ray","0.71073","MoKα","","0.1039","0.0935","","","0.2321","0.2413","","","","","","0.965","","","","has coordinates,has disorder","271889","2022-01-06","22:53:20",""
"7129511","9.3029","0.0005","9.8555","0.0006","11.368","0.0006","100.465","0.005","110.413","0.005","103.14","0.005","911.54","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C48 H42 N6 O2 -","2","1","","Dey, Arnab; Singh, Anurag; Volla, Chandra M. R.","Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives","Chemical Communications","2022","","","","","10.1039/D1CC05245D","","x-ray","0.71073","MoKα","","0.0729","0.0492","","","0.1375","0.1814","","","","","","1.145","","","","has coordinates","271890","2022-01-06","22:55:03",""
"7129512","9.5063","0.0007","12.2058","0.0009","17.4137","0.0013","90","","102.384","0.007","90","","1973.5","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl2 N3 O -","- C23 H17 Cl2 N3 O -","- C92 H68 Cl8 N12 O4 -","4","1","","Dey, Arnab; Singh, Anurag; Volla, Chandra M. R.","Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives","Chemical Communications","2022","","","","","10.1039/D1CC05245D","","x-ray","0.71073","MoKα","","0.1153","0.0758","","","0.2059","0.2686","","","","","","1.1","","","","has coordinates","271890","2022-01-06","22:55:03",""
"7129513","12.2254","0.0015","10.4986","0.0011","15.5704","0.0018","90","","103.455","0.012","90","","1943.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","1","","Dey, Arnab; Singh, Anurag; Volla, Chandra M. R.","Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives","Chemical Communications","2022","","","","","10.1039/D1CC05245D","","x-ray","0.71073","MoKα","","0.1351","0.074","","","0.1625","0.2083","","","","","","1.033","","","","has coordinates","271890","2022-01-06","22:55:03",""
"7129514","15.931","0.003","10.1424","0.0014","12.3571","0.0016","90","","93.839","0.013","90","","1992.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C100 H84 N12 O12 -","4","1","","Dey, Arnab; Singh, Anurag; Volla, Chandra M. R.","Cobalt-catalyzed highly diastereoselective [3 + 2] carboannulation reactions: facile access to substituted indane derivatives","Chemical Communications","2022","","","","","10.1039/D1CC05245D","","x-ray","0.71073","MoKα","","0.189","0.0887","","","0.2131","0.3144","","","","","","0.99","","","","has coordinates","271890","2022-01-06","22:55:03",""
"7129515","23.3817","0.0002","17.4664","0.0001","36.1","0.0003","90","","108.372","0.001","90","","13991.6","0.2","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 Al2 N4 O2 Rb2 Si4 -","- C59 H99 Al2 N4 O2 Rb2 Si4 -","- C472 H792 Al16 N32 O16 Rb16 Si32 -","8","1","","Gentner, Thomas X.; Evans, Matthew J.; Kennedy, Alan R.; Neale, Sam E.; McMullin, Claire L.; Coles, Martyn P.; Mulvey, Robert E.","Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene","Chemical Communications","2022","","","","","10.1039/D1CC05379E","","","1.54184","CuKα","","0.0462","0.0444","","","0.1183","0.1198","","","","","","1.09","","","","has coordinates","271942","2022-01-07","22:50:49",""
"7129516","23.57265","0.00017","17.60387","0.00009","36.1042","0.0002","90","","108.725","0.0008","90","","14189.2","0.16","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 Al2 Cs2 N4 O2 Si4 -","- C59 H99 Al2 Cs2 N4 O2 Si4 -","- C472 H792 Al16 Cs16 N32 O16 Si32 -","8","1","","Gentner, Thomas X.; Evans, Matthew J.; Kennedy, Alan R.; Neale, Sam E.; McMullin, Claire L.; Coles, Martyn P.; Mulvey, Robert E.","Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene","Chemical Communications","2022","","","","","10.1039/D1CC05379E","","","1.54184","CuKα","","0.059","0.0581","","","0.1619","0.1633","","","","","","1.056","","","","has coordinates","271942","2022-01-07","22:50:50",""
"7129517","10.68","0.002","12.393","0.003","37.712","0.008","90","","90","","90","","4991.5","1.9","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C63 H61 N5 O2 -","- C63 H61 N5 O2 -","- C252 H244 N20 O8 -","4","0.5","","Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung","Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer","Chemical Communications","2022","","","","","10.1039/D1CC06569F","","","0.7","synchrotron","","0.0615","0.0557","","","0.1534","0.1576","","","","","","1.073","","","","has coordinates","271943","2022-01-07","22:52:06",""
"7129518","22.767","0.005","23.169","0.005","20.718","0.004","90","","106.42","0.03","90","","10483","4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C121 H115 N9 O3 -","- C121 H115 N9 O3 -","- C484 H460 N36 O12 -","4","0.5","","Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung","Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer","Chemical Communications","2022","","","","","10.1039/D1CC06569F","","","0.7","synchrotron","","0.0866","0.0666","","","0.187","0.1997","","","","","","1.096","","","","has coordinates,has disorder","271943","2022-01-07","22:52:07",""
"7129519","83.483","0.017","20.589","0.004","30.137","0.006","90","","108.46","0.03","90","","49135","19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C265 H237 Cl4 N17 O10 -","- C265 H237 Cl4 N17 O10 -","- C2120 H1896 Cl32 N136 O80 -","8","1","","Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung","Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer","Chemical Communications","2022","","","","","10.1039/D1CC06569F","","","0.9","synchrotron","","0.166","0.1034","","","0.3028","0.3399","","","","","","1","","","","has coordinates","271943","2022-01-07","22:52:07",""
"7129520","18.9036","0.0009","22.8201","0.0011","18.1253","0.0009","90","","90.263","0.001","90","","7818.8","0.7","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dy4","","- C68 H76 Dy4 N12 O18 S4 -","- C68 H74 Dy4 N12 O17.996 S4 -","- C272 H296 Dy16 N48 O71.984 S16 -","4","0.5","","Yang, Qianqian; Ungur, Liviu; Chibotaru, Liviu; Tang, Jinkui","Toroidal versus centripetal arrangement of magnetic moment in a Dy4 tetrahedron","Chemical Communications","2022","","","","","10.1039/D1CC06265D","","","0.71073","MoKα","","0.055","0.0378","","","0.0756","0.0821","","","","","","1.005","","","","has coordinates,has disorder","271944","2022-01-07","22:52:57",""
"7129521","6.5395","0.0002","9.9821","0.0003","14.8082","0.0005","90","","90","","90","","966.65","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl3 Mn N O -","- C4 H12 Cl3 Mn N O -","- C16 H48 Cl12 Mn4 N4 O4 -","4","1","","Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping","Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal","Chemical Communications","2022","","","","","10.1039/D1CC06306E","","","0.71073","MoKα","","0.0145","0.014","","","0.0377","0.0379","","","","","","1.149","","","","has coordinates","271945","2022-01-07","22:53:24",""
"7129522","9.9332","0.0009","14.5412","0.0011","6.5977","0.0006","90","","95.019","0.008","90","","949.32","0.14","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 Mn N O -","- C4 H12 Cl3 Mn N O -","- C16 H48 Cl12 Mn4 N4 O4 -","4","1","","Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping","Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal","Chemical Communications","2022","","","","","10.1039/D1CC06306E","","","0.71073","MoKα","","0.0524","0.0496","","","0.1383","0.1395","","","","","","1.277","","","","has coordinates","271945","2022-01-07","22:53:24",""
"7129523","14.837","0.002","6.5021","0.001","10.2026","0.0015","90","","90","","90","","984.3","0.2","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl3 Mn N O -","- C4 H12 Cl3 Mn N O -","- C16 H48 Cl12 Mn4 N4 O4 -","4","0.5","","Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping","Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal","Chemical Communications","2022","","","","","10.1039/D1CC06306E","","","0.71073","MoKα","","0.0638","0.0442","","","0.1128","0.1194","","","","","","1.096","","","","has coordinates,has disorder","271945","2022-01-07","22:53:24",""
"7129524","8.0848","0.0002","8.7049","0.0002","16.185","0.0004","75.398","0.002","78.016","0.002","68.556","0.003","1017.5","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 N3 S2 -","- C23 H23 N3 S2 -","- C46 H46 N6 S4 -","2","1","","Zhang, Lihui; Hu, Yang; Hu, Rongrong; Tang, Ben Zhong","Room Temperature Synthesis of Polythioamides from Multicomponent Polymerization of Sulfur, Pyridine-activated Alkyne, and Amines","Chemical Communications","2022","","","","","10.1039/D1CC06448G","","x-ray","1.54184","CuKα","","0.0345","0.0315","","","0.0813","0.083","","","","","","1.072","","","","has coordinates","271973","2022-01-10","22:49:01",""
"7129525","10.0154","0.0003","10.7382","0.0002","38.8755","0.001","90","","95.253","0.003","90","","4163.4","0.18","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 S2 -","- C24 H24 N2 S2 -","- C192 H192 N16 S16 -","8","2","","Zhang, Lihui; Hu, Yang; Hu, Rongrong; Tang, Ben Zhong","Room Temperature Synthesis of Polythioamides from Multicomponent Polymerization of Sulfur, Pyridine-activated Alkyne, and Amines","Chemical Communications","2022","","","","","10.1039/D1CC06448G","","x-ray","1.54184","CuKα","","0.0868","0.0799","","","0.2233","0.2283","","","","","","1.029","","","","has coordinates","271973","2022-01-10","22:49:02",""
"7129526","5.94438","0.00017","15.3656","0.0005","9.9491","0.0004","90","","96.274","0.003","90","","903.3","0.05","293","2","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0459","0.0428","","","0.12","0.1233","","","","","","1.083","","","","has coordinates","271974","2022-01-10","22:51:07",""
"7129527","6.5851","0.0001","10.4477","0.0001","21.375","0.0002","90","","90","","90","","1470.58","0.03","293","2","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0739","0.0741","","","","","","1.038","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129528","10.15647","0.00011","11.03134","0.00015","20.7789","0.0003","90","","90","","90","","2328.06","0.05","100","0.1","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","","1.54184","CuKα","","0.045","0.0416","","","0.1058","0.1084","","","","","","1.069","","","","has coordinates,has disorder","271974","2022-01-10","22:51:08",""
"7129529","5.61652","0.00015","8.245","0.0003","9.0227","0.0003","90","","92.654","0.002","90","","417.38","0.02","293","2","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0317","0.0315","","","0.0904","0.0906","","","","","","1.095","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129530","10.3396","0.0005","10.1521","0.0004","15.164","0.0008","90","","90.266","0.005","90","","1591.73","0.13","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N0.25 O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.2269","0.2227","","","0.6254","0.6288","","","","","","3.359","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129531","10.2718","0.0002","9.7571","0.0003","10.9209","0.0003","90","","90","","90","","1094.53","0.05","293","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H N O -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0975","0.0984","","","","","","1.093","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129532","10.0228","0.0005","9.8396","0.0005","11.04","0.0005","90","","90","","90","","1088.77","0.09","293","2","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.058","0.054","","","0.1557","0.1625","","","","","","1.127","","","","has coordinates","271974","2022-01-10","22:51:09",""
"7129533","14.1108","0.0005","23.2804","0.0012","20.4826","0.001","90","","96.203","0.004","90","","6689.2","0.5","190","0.1","190","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 Ag3 Cl2 Cu2 P S6 -","- C57 H88 Ag3 Cl2 Cu2 P S6 -","- C228 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.1028","0.0644","","","0.1593","0.1813","","","","","","1.031","","","","has coordinates,has disorder","272557","2022-02-04","19:04:10",""
"7129534","14.0658","0.0005","23.512","0.0011","20.5437","0.0009","90","","95.858","0.003","90","","6758.6","0.5","190.01","0.1","190.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H88 Ag3 Cl2 Cu2 P S6 -","- C58 H88 Ag3 Cl2 Cu2 P S6 -","- C232 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.1056","0.0625","","","0.1505","0.1751","","","","","","1.022","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129535","12.542","0.0007","12.5516","0.0007","19.3067","0.001","103.801","0.004","93.205","0.004","97.26","0.004","2916.2","0.3","190.01","0.1","190.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 Ag3 Cu2 P S6 -","- C48 H74 Ag3 Cu2 P S6 -","- C96 H148 Ag6 Cu4 P2 S12 -","2","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.0753","0.0536","","","0.1415","0.1553","","","","","","1.037","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129536","13.8063","0.0004","14.8132","0.0005","18.4926","0.0006","74.687","0.003","84.949","0.002","72.84","0.003","3485.2","0.2","190","0.1","190","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H88 Ag3 Cl4 Cu2 P S6 -","- C57 H88 Ag3 Cl4 Cu2 P S6 -","- C114 H176 Ag6 Cl8 Cu4 P2 S12 -","2","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.086","0.0569","","","0.1298","0.1464","","","","","","1.023","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129537","13.7428","0.0005","20.2094","0.0008","26.5743","0.0013","90","","90","","90","","7380.6","0.5","190","0.1","190","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C244 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.0779","0.0586","","","0.1156","0.1254","","","","","","1.012","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129538","13.7242","0.0003","20.2084","0.0006","26.4773","0.0009","90","","90","","90","","7343.3","0.4","190","0.1","190","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C244 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.0803","0.0532","","","0.12","0.1361","","","","","","0.993","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129539","9.5635","0.0006","6.7073","0.0003","15.8118","0.0008","90","","90.829","0.003","90","","1014.15","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","0.71073","MoKα","","0.0598","0.0397","","","0.0798","0.0909","","","","","","1.039","","","","has coordinates","271987","2022-01-11","22:52:01",""
"7129540","9.7603","0.0004","7.2351","0.0003","15.8107","0.0006","90","","92.465","0.001","90","","1115.47","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","1.54178","CuKα","","0.0536","0.0484","","","0.1314","0.1386","","","","","","1.08","","","","has coordinates","271987","2022-01-11","22:52:02",""
"7129541","12.4644","0.0007","11.8934","0.0006","15.4819","0.0007","90","","90","","90","","2295.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H20 Cl2 N2 O2 -","- C28 H20 Cl2 N2 O2 -","- C112 H80 Cl8 N8 O8 -","4","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","0.71073","MoKα","","0.0524","0.0378","","","0.0835","0.092","","","","","","1.004","","","","has coordinates","271987","2022-01-11","22:52:02",""
"7129542","11.434","0.0012","10.0679","0.001","19.338","0.002","90","","102.571","0.006","90","","2172.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C104 H88 N8 O8 S4 -","4","1","","Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin","Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation","Chemical Communications","2022","","","","","10.1039/D1CC06544K","","","0.71073","MoKα","","0.1206","0.0525","","","0.1071","0.14","","","","","","1.02","","","","has coordinates","271987","2022-01-11","22:52:02",""
"7129543","8.1557","0.0016","8.4598","0.0017","16.325","0.003","79.95","0.03","84.74","0.03","63.26","0.03","990.4","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N O6 -","- C20 H22 N O6 -","- C40 H44 N2 O12 -","2","1","","Fu, Leiqing; Wan, Jie-Ping; Zhou, Liyun; Liu, Yunyun","Copper-catalyzed C-H/N-H annulation of enaminones and alkynyl esters for densely substituted pyrrole synthesis","Chemical Communications","2022","","","","","10.1039/D1CC06768K","","","0.71073","MoKα","","0.0823","0.0567","","","0.1545","0.18","","","","","","1.141","","","","has coordinates","271988","2022-01-11","22:52:37",""
"7129544","10.7806","0.0002","10.9499","0.0002","14.5775","0.0002","90","","102.964","0.001","90","","1676.96","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N2 O2 -","- C18 H23 N2 O2 -","- C72 H92 N8 O8 -","4","1","","Peng, Zhiyong; Xu, Xiao-Qin; Wang, Xu-Qing; Shi, Xueliang; Wang, Wei; Yang, Hai-Bo","Rotaxane-branched Radical Dendrimers with TEMPO Termini","Chemical Communications","2022","","","","","10.1039/D1CC06158E","","x-ray","1.54184","CuKα","","0.0401","0.035","","","0.0826","0.0854","","","","","","1.023","","","","has coordinates","271989","2022-01-11","22:52:57",""
"7129545","20.3167","0.0008","11.1475","0.0005","13.7918","0.0006","90","","109.564","0.001","90","","2943.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 F N2 O3 -","- C34 H33 F N2 O3 -","- C136 H132 F4 N8 O12 -","4","1","","Ni, Dan; Song, Longlong; Zhao, Yun; Liu, Shunying","One-pot Synthesis of Multi-substituted Conjugated Dienones by Trapping Allene Carbocation with Active Ylides","Chemical Communications","2022","","","","","10.1039/D1CC06405C","","","0.71073","MoKα","","0.0997","0.0516","","","0.1077","0.1329","","","","","","1.023","","","","has coordinates","272007","2022-01-12","22:55:16",""
"7129546","9.9024","0.0002","10.999","0.0003","16.8991","0.0005","107.609","0.001","96.177","0.001","104.848","0.001","1661.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 Br N2 O2 -","- C40 H37 Br N2 O2 -","- C80 H74 Br2 N4 O4 -","2","1","","Ni, Dan; Song, Longlong; Zhao, Yun; Liu, Shunying","One-pot Synthesis of Multi-substituted Conjugated Dienones by Trapping Allene Carbocation with Active Ylides","Chemical Communications","2022","","","","","10.1039/D1CC06405C","","","0.71073","MoKα","","0.0769","0.0456","","","0.1016","0.1191","","","","","","1.013","","","","has coordinates","272007","2022-01-12","22:55:17",""
"7129547","22.6154","0.001","11.0222","0.0003","25.2859","0.0012","90","","109.234","0.005","90","","5951.2","0.5","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 F3 N2 O2 S -","- C33 H29 F3 N2 O2 S -","- C264 H232 F24 N16 O16 S8 -","8","2","","Ni, Dan; Song, Longlong; Zhao, Yun; Liu, Shunying","One-pot Synthesis of Multi-substituted Conjugated Dienones by Trapping Allene Carbocation with Active Ylides","Chemical Communications","2022","","","","","10.1039/D1CC06405C","","x-ray","1.54184","CuKα","","0.1468","0.1198","","","0.2791","0.2966","","","","","","1.099","","","","has coordinates","272007","2022-01-12","22:55:17",""
"7129548","11.4115","0.0004","31.8743","0.0013","10.1621","0.0004","90","","113.69","0.001","90","","3384.8","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 N3 Ni P2 -","- C34 H59 N3 Ni P2 -","- C136 H236 N12 Ni4 P8 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Gonçalves, Théo P.; Huang, Kuo-Wei","Selective benzylic Csp3–H bond activations mediated by a phosphorus–nitrogen PN3P-nickel complex","Chemical Communications","2022","","","","","10.1039/D1CC06507F","","","0.71073","MoKα","","0.0624","0.0491","","","0.1243","0.131","","","","","","1.042","","","","has coordinates","272008","2022-01-12","22:57:38",""
"7129549","16.1273","0.0018","10.1511","0.0011","18.81","0.002","90","","93.796","0.006","90","","3072.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N3 Ni P2 -","- C27 H53 N3 Ni P2 -","- C108 H212 N12 Ni4 P8 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Gonçalves, Théo P.; Huang, Kuo-Wei","Selective benzylic Csp3–H bond activations mediated by a phosphorus–nitrogen PN3P-nickel complex","Chemical Communications","2022","","","","","10.1039/D1CC06507F","","","0.71073","MoKα","","0.0717","0.0673","","","0.17","0.1741","","","","","","1.038","","","","has coordinates","272008","2022-01-12","22:57:38",""
"7129550","10.0438","0.0005","33.2081","0.0019","11.5854","0.0007","90","","112.673","0.002","90","","3565.5","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 N3 Ni O P2 -","- C35 H59 N3 Ni O P2 -","- C140 H236 N12 Ni4 O4 P8 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Gonçalves, Théo P.; Huang, Kuo-Wei","Selective benzylic Csp3–H bond activations mediated by a phosphorus–nitrogen PN3P-nickel complex","Chemical Communications","2022","","","","","10.1039/D1CC06507F","","","0.71073","MoKα","","0.0556","0.0505","","","0.105","0.1071","","","","","","1.179","","","","has coordinates","272008","2022-01-12","22:57:39",""
"7129551","8.635","0.002","21.044","0.004","20.405","0.004","90","","91.482","0.009","90","","3706.7","1.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Monoclinic","","- C36 H60 N4 Ni P2 -","- C36 H60 N4 Ni P2 -","- C144 H240 N16 Ni4 P8 -","4","1","","Yao, Changguang; Zhang, Tonghuan; Gonçalves, Théo P.; Huang, Kuo-Wei","Selective benzylic Csp3–H bond activations mediated by a phosphorus–nitrogen PN3P-nickel complex","Chemical Communications","2022","","","","","10.1039/D1CC06507F","","","0.71073","MoKα","","0.0851","0.0686","","","0.1529","0.1604","","","","","","1.129","","","","has coordinates","272008","2022-01-12","22:57:39",""
"7129552","8.2871","0.0004","9.5533","0.0005","14.97","0.0008","73.34","0.005","87.044","0.004","72.22","0.005","1080.34","0.11","292.8","0.8","292.8","0.8","","","","","","","","3","P -1","-P 1","2","","","","- C31 H18 N2 -","- C31 H18 N2 -","- C62 H36 N4 -","2","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0726","0.0644","","","0.1739","0.1916","","","","","","1.032","","","","has coordinates","272009","2022-01-12","22:59:35",""
"7129553","7.168","0.00011","22.8606","0.0004","23.0265","0.0005","90","","90","","90","","3773.23","0.12","296.75","0.1","296.75","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 F2 N3 -","- C24 H15 F2 N3 -","- C192 H120 F16 N24 -","8","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0746","0.0662","","","0.1695","0.1818","","","","","","1.048","","","","has coordinates","272009","2022-01-12","22:59:35",""
"7129554","10.2292","0.0003","16.3951","0.0005","11.6492","0.0003","90","","113.281","0.004","90","","1794.6","0.1","295.7","0.2","295.7","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 N3 S -","- C24 H15 N3 S -","- C96 H60 N12 S4 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.068","0.0628","","","0.166","0.177","","","","","","1.035","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129555","25.483","0.003","3.8577","0.0003","25.757","0.003","90","","90","","90","","2532.1","0.5","302","2","302","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C144 H80 N16 O8 -","8","2","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","","0.71073","MoKα","","0.1727","0.081","","","0.2076","0.271","","","","","","1.038","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129556","9.5511","0.0003","13.5323","0.0003","37.4313","0.0009","90","","93.885","0.002","90","","4826.8","0.2","298","2","298","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C60 H42 N5 -","- C60 H42 N5 -","- C240 H168 N20 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","","1.54178","CuKα","","0.103","0.0684","","","0.1955","0.2159","","","","","","1.127","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129557","6.9727","0.0012","21.106","0.002","13.7772","0.0018","90","","120.245","0.003","90","","1751.5","0.4","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F2 N3 -","- C24 H13 F2 N3 -","- C96 H52 F8 N12 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","","0.71073","MoKα","","0.1016","0.0488","","","0.1071","0.131","","","","","","1.024","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129558","3.91044","0.00013","19.7705","0.0008","21.0267","0.0007","90","","90","","90","","1625.6","0.1","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N3 -","- C24 H15 N3 -","- C96 H60 N12 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0636","0.0601","","","0.1567","0.1637","","","","","","1.044","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129559","6.837","0.0004","22.4145","0.0011","7.1605","0.0004","90","","114.235","0.007","90","","1000.62","0.11","296.4","0.8","296.4","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N3 O2 -","- C12 H7 N3 O2 -","- C48 H28 N12 O8 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0785","0.0702","","","0.2204","0.2332","","","","","","1.1","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129560","14.4902","0.0013","5.7693","0.0005","25.421","0.002","90","","102.486","0.009","90","","2074.9","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","1","","Kawasaki, Yuuya; Kamikubo, Ryota; Kumegawa, Yuta; Ogawa, Kouhei; Kashiwagi, Takeru; Ano, Yusuke; Igawa, Kazunobu; Tomooka, Katsuhiko","Preparation of enantioenriched helical- and axial-chiral molecules by dynamic asymmetric induction","Chemical Communications","2022","","","","","10.1039/D1CC05881A","","","0.71073","MoKα","","0.1343","0.0627","","","0.13","0.1539","","","","","","1","","","","has coordinates","272010","2022-01-12","23:00:31",""
"7129561","13.028","0.005","11.85","0.004","20.643","0.007","90","","93.358","0.007","90","","3181","2","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Mn2 N4 O3.5 Si2 -","- C26 H40 Mn2 N4 O3.5 Si2 -","- C104 H160 Mn8 N16 O14 Si8 -","4","1","","Koellner, Connor A.; Gau, Michael; Polyak, Aleksander; Bayana, Manish; Zdilla, Michael John","Hemicubane topological analogs of the oxygen-evolving complex of photosystem II mediating water-assisted propylene carbonate oxidation","Chemical Communications","2022","","","","","10.1039/D1CC05825H","","","0.71073","MoKα","","0.1057","0.0725","","","0.1853","0.2042","","","","","","1.107","","","","has coordinates,has disorder","272025","2022-01-13","22:52:42",""
"7129562","10.5216","0.0015","19.661","0.003","32.22","0.005","90","","93.239","0.003","90","","6654.5","1.7","100","2","100.06","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 Ca Mn3 N8 O8 Si4 -","- C56 H88 Ca Mn3 N8 O8 Si4 -","- C224 H352 Ca4 Mn12 N32 O32 Si16 -","4","1","","Koellner, Connor A.; Gau, Michael; Polyak, Aleksander; Bayana, Manish; Zdilla, Michael John","Hemicubane topological analogs of the oxygen-evolving complex of photosystem II mediating water-assisted propylene carbonate oxidation","Chemical Communications","2022","","","","","10.1039/D1CC05825H","","","0.71073","MoKα","","0.041","0.0332","","","0.0794","0.0848","","","","","","1.064","","","","has coordinates,has disorder","272025","2022-01-13","22:52:42",""
"7129563","19.429","0.002","22.05","0.002","23.108","0.003","87.3","0.002","66.466","0.002","71.707","0.002","8582.7","1.6","100","2","99.91","","","","","","","","","7","P -1","-P 1","2","","","","- C128 H220 Ca4 Mn5 N18 O17 Si12 -","- C128 H220 Ca4 Mn5 N18 O17 Si12 -","- C256 H440 Ca8 Mn10 N36 O34 Si24 -","2","1","","Koellner, Connor A.; Gau, Michael; Polyak, Aleksander; Bayana, Manish; Zdilla, Michael John","Hemicubane topological analogs of the oxygen-evolving complex of photosystem II mediating water-assisted propylene carbonate oxidation","Chemical Communications","2022","","","","","10.1039/D1CC05825H","","","0.71073","MoKα","","0.2008","0.1322","","","0.3734","0.4088","","","","","","1.355","","","","has coordinates,has disorder","272025","2022-01-13","22:52:43",""
"7129564","13.071","0.004","14.016","0.005","15.223","0.005","79.579","0.005","73.067","0.005","83.215","0.005","2617.6","1.5","100","2","99.97","","","","","","","","","7","P -1","-P 1","2","","","","- C93.08 H138.16 Ca2 Mn4 N12 O15.27 Si4 -","- C93.072 H138.144 Ca2 Mn4 N12 O15.268 Si4 -","- C93.072 H138.144 Ca2 Mn4 N12 O15.268 Si4 -","1","0.5","","Koellner, Connor A.; Gau, Michael; Polyak, Aleksander; Bayana, Manish; Zdilla, Michael John","Hemicubane topological analogs of the oxygen-evolving complex of photosystem II mediating water-assisted propylene carbonate oxidation","Chemical Communications","2022","","","","","10.1039/D1CC05825H","","","0.71073","MoKα","","0.1067","0.0555","","","0.1341","0.1589","","","","","","1.017","","","","has coordinates,has disorder","272025","2022-01-13","22:52:43",""
"7129565","15.598","0.004","16.828","0.004","43.15","0.011","90","","91.079","0.005","90","","11324","5","100","2","100.03","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H112 Ca Mn5 N12 O12 Si4 -","- C80 H112 Ca Mn5 N12 O12 Si4 -","- C320 H448 Ca4 Mn20 N48 O48 Si16 -","4","1","","Koellner, Connor A.; Gau, Michael; Polyak, Aleksander; Bayana, Manish; Zdilla, Michael John","Hemicubane topological analogs of the oxygen-evolving complex of photosystem II mediating water-assisted propylene carbonate oxidation","Chemical Communications","2022","","","","","10.1039/D1CC05825H","","","0.71073","MoKα","","0.1111","0.0679","","","0.1652","0.1896","","","","","","1.009","","","","has coordinates,has disorder","272025","2022-01-13","22:52:43",""
"7129566","8.4703","0.0002","13.0851","0.0003","9.5474","0.0002","90","","96.023","0.002","90","","1052.34","0.04","100.01","0.1","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Bk O11 -","- C6 H10 Bk O11 -","- C24 H40 Bk4 O44 -","4","1","","Sperling, Joseph M.; Beck, Nicholas B.; Scheibe, Benjamin; Bai, Zhuanling; Brannon, Jacob Preston; Gomez Martinez, Daniela; Grödler, Dennis; Johnson, Jason A.; Lin, Xinsong; Rotermund, Brian Matthew; Albrecht-Schoenzart, Thomas","Synthesis, Characterization, and High-Pressure Studies of a 3D Berkelium(III) Carboxylate Framework Material","Chemical Communications","2022","","","","","10.1039/D1CC06958F","","","0.71073","MoKα","","0.0142","0.0133","","","0.0292","0.0294","","","","","","1.156","","","","has coordinates","272026","2022-01-13","22:53:47",""
"7129567","12.143","0.003","12.143","0.003","11.827","0.004","90","","90","","120","","1510.3","0.7","193","","193","","","","","","","","","3","P 63/m","-P 6c","176","","","","- C38 H20 S6 -","- C38 H20 S6 -","- C76 H40 S12 -","2","0.166667","","Tang, Shuxuan; Ruan, Huapeng; Hu, Zhao-Bo; Zhao, Yue; Song, You; Wang, Xinping","A Cationic Sulfur-Hydrocarbon Triradical with an Excited Quartet State","Chemical Communications","2022","","","","","10.1039/D1CC06904G","","","0.71073","MoKα","","0.1841","0.1345","","","0.2684","0.2978","","","","","","1.044","","","","has coordinates","272040","2022-01-14","22:49:01",""
"7129568","12.318","0.002","17.946","0.003","27.986","0.005","88.353","0.005","88.861","0.005","81.464","0.005","6114.7","1.8","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H24 Al3 Cl2 F108 O12 S6 -","- C88 H24 Al3 Cl2 F108 O12 S6 -","- C176 H48 Al6 Cl4 F216 O24 S12 -","2","1","","Tang, Shuxuan; Ruan, Huapeng; Hu, Zhao-Bo; Zhao, Yue; Song, You; Wang, Xinping","A Cationic Sulfur-Hydrocarbon Triradical with an Excited Quartet State","Chemical Communications","2022","","","","","10.1039/D1CC06904G","","","0.71073","MoKα","","0.1171","0.0839","","","0.2325","0.262","","","","","","1.035","","","","has coordinates,has disorder","272040","2022-01-14","22:49:02",""
"7129569","27.8747","0.0014","20.9396","0.0011","21.1968","0.0011","90","","95.191","0.003","90","","12321.5","1.1","193","2","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H20 Al3 F108 O12 S6 -","- C86 H20 Al3 F108 O12 S6 -","- C344 H80 Al12 F432 O48 S24 -","4","1","","Tang, Shuxuan; Ruan, Huapeng; Hu, Zhao-Bo; Zhao, Yue; Song, You; Wang, Xinping","A Cationic Sulfur-Hydrocarbon Triradical with an Excited Quartet State","Chemical Communications","2022","","","","","10.1039/D1CC06904G","","","1.34139","GaKα","","0.1377","0.1179","","","0.2472","0.2583","","","","","","1.047","","","","has coordinates,has disorder","272040","2022-01-14","22:49:02",""
"7129570","5.7494","0.0001","14.2576","0.0001","28.6021","0.0003","90","","90","","90","","2344.59","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O10 -","- C22 H27 N O10 -","- C88 H108 N4 O40 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","","1.54184","CuKα","","0.0444","0.0433","","","0.1154","0.1173","","","","","","1.048","","","","has coordinates","272041","2022-01-14","22:50:08",""
"7129571","12.8984","0.0001","21.5255","0.0003","42.4726","0.0004","90","","90","","90","","11792.3","0.2","100.03","0.1","100.03","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H124 N4 O50 S5 U4 -","- C102 H124 N4 O50 S5 U4 -","- C408 H496 N16 O200 S20 U16 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","x-ray","1.54184","CuKα","","0.047","0.0422","","","0.108","0.1118","","","","","","1.04","","","","has coordinates,has disorder","272041","2022-01-14","22:50:10",""
"7129572","20.8958","0.0001","23.1386","0.0001","40.8871","0.0001","90","","90","","90","","19768.9","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C140 H148 N8 O60 U5 -","- C140 H148 N8 O60 U5 -","- C560 H592 N32 O240 U20 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","x-ray","1.54184","CuKα","","0.0353","0.0352","","","0.0916","0.0916","","","","","","1.055","","","","has coordinates","272041","2022-01-14","22:50:10",""
"7129573","9.0759","0.0002","12.3329","0.0002","15.6196","0.0003","107.554","0.002","102.974","0.002","90.901","0.002","1617.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 F6 N2 O6 S2 -","- C32 H30 F6 N2 O6 S2 -","- C64 H60 F12 N4 O12 S4 -","2","1","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0396","0.0335","","","0.082","0.085","","","","","","1.064","","","","has coordinates","272042","2022-01-14","22:51:37",""
"7129574","16.0877","0.0012","5.7417","0.0004","18.1222","0.0014","90","","108.833","0.008","90","","1584.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 -","- C18 H22 N2 -","- C72 H88 N8 -","4","1","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0708","0.0593","","","0.1521","0.1623","","","","","","1.055","","","","has coordinates","272042","2022-01-14","22:51:38",""
"7129575","9.3302","0.0002","15.9677","0.0003","16.8928","0.0003","86.189","0.002","83.167","0.002","84.182","0.002","2482.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 F12 N2 Sb2 -","- C30 H30 F12 N2 Sb2 -","- C90 H90 F36 N6 Sb6 -","3","1.5","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0579","0.0474","","","0.1277","0.1347","","","","","","1.069","","","","has coordinates","272042","2022-01-14","22:51:38",""
"7129576","8.8709","0.0002","15.6676","0.0003","16.3721","0.0004","87.09","0.002","88.058","0.002","86.128","0.002","2266.31","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 N2 -","- C30 H30 N2 -","- C120 H120 N8 -","4","2","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0516","0.0406","","","0.0977","0.1024","","","","","","1.079","","","","has coordinates","272042","2022-01-14","22:51:38",""
"7129577","17.0368","0.0006","17.3714","0.0005","17.3317","0.0007","90","","104.214","0.004","90","","4972.3","0.3","250","2","250","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C240 H240 N16 O16 -","8","2","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0567","0.0405","","","0.0979","0.1054","","","","","","1.037","","","","has coordinates","272042","2022-01-14","22:51:38",""
"7129578","6.4612","0.0017","24.723","0.007","7.2683","0.0018","90","","94.82","0.02","90","","1156.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F6 N2 O6 S2 -","- C20 H22 F6 N2 O6 S2 -","- C40 H44 F12 N4 O12 S4 -","2","0.5","","Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul","Activation of O2 Across a C(sp3)-C(sp3) Bond","Chemical Communications","2022","","","","","10.1039/D2CC00110A","","","0.71073","MoKα","","0.0603","0.0484","","","0.108","0.1122","","","","","","1.065","","","","has coordinates","272042","2022-01-14","22:51:38",""
"7129579","65.655","0.006","65.655","0.006","18.9177","0.0018","90","","90","","90","","81546","13","273","2","273","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C348 H296 N12 O48 -","- C348 H296 N12 O48 -","- C2784 H2368 N96 O384 -","8","0.25","","Dong, Ming; Liu, Xiu; Zhang, Zhi-Yuan; Yu, Cheng-Mao; Huo, Bochao; Li, Chunju","Synthesis of a Large-Cavity Carbazole Macrocycle for Size-Dependent Recognition","Chemical Communications","2022","","","","","10.1039/D1CC06788E","","","0.77485","Synchrotron","","0.1756","0.1171","","","0.2802","0.2985","","","","","","1.061","","","","has coordinates,has disorder","272043","2022-01-14","22:52:50",""
"7129580","5.928","0.0004","9.8602","0.0007","22.3535","0.0013","90","","90","","90","","1306.59","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Fe O S -","- C14 H18 Fe O S -","- C56 H72 Fe4 O4 S4 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0358","0.0347","","","0.0811","0.0816","","","","","","1.141","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129581","9.3403","0.0006","13.341","0.0008","12.3446","0.0008","90","","109.899","0.003","90","","1446.41","0.16","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C26 H38 Fe O S2 Si2 -","- C26 H38 Fe O S2 Si2 -","- C52 H76 Fe2 O2 S4 Si4 -","2","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0405","0.0339","","","0.0728","0.0765","","","","","","1.038","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129582","10.6604","0.0005","11.6304","0.0006","15.9593","0.0008","90","","90","","90","","1978.71","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Fe I O S Si -","- C17 H25 Fe I O S Si -","- C68 H100 Fe4 I4 O4 S4 Si4 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0273","0.0247","","","0.0525","0.0539","","","","","","0.917","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129583","8.3897","0.0002","35.0632","0.0006","11.2062","0.0002","90","","107.304","0.002","90","","3147.32","0.11","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 O P S Si2 -","- C31 H45 O P S Si2 -","- C124 H180 O4 P4 S4 Si8 -","4","1","","Fontana, Nicolò; Espinosa-Jalapa, Noel Angel; Seidl, Michael; Bauer, Jonathan O.","Hidden Silylium-Type Reactivity of a Siloxane-Based Phosphonium–Hydroborate Ion Pair","Chemical Communications","2022","","","","","10.1039/D1CC07016A","","x-ray","1.54184","CuKα","","0.0619","0.0584","","","0.1336","0.1353","","","","","","1.208","","","","has coordinates,has disorder","272085","2022-01-17","22:50:01",""
"7129584","9.9141","0.0002","14.3805","0.0002","19.1892","0.0003","101.299","0.001","90.321","0.001","93.846","0.001","2676.24","0.08","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H44 B F20 O P S Si2 -","- C55 H44 B F20 O P S Si2 -","- C110 H88 B2 F40 O2 P2 S2 Si4 -","2","1","","Fontana, Nicolò; Espinosa-Jalapa, Noel Angel; Seidl, Michael; Bauer, Jonathan O.","Hidden Silylium-Type Reactivity of a Siloxane-Based Phosphonium–Hydroborate Ion Pair","Chemical Communications","2022","","","","","10.1039/D1CC07016A","","x-ray","1.54184","CuKα","","0.0561","0.0491","","","0.1286","0.1342","","","","","","1.024","","","","has coordinates","272085","2022-01-17","22:50:04",""
"7129585","9.2436","0.0003","29.8297","0.0007","9.9706","0.0003","90","","105.288","0.003","90","","2651.94","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18.5 B F14.5 O3 -","- C26 H18.5 B F14.5 O3 -","- C104 H74 B4 F58 O12 -","4","1","","Fontana, Nicolò; Espinosa-Jalapa, Noel Angel; Seidl, Michael; Bauer, Jonathan O.","Hidden Silylium-Type Reactivity of a Siloxane-Based Phosphonium–Hydroborate Ion Pair","Chemical Communications","2022","","","","","10.1039/D1CC07016A","","x-ray","0.71073","MoKα","","0.069","0.0463","","","0.1156","0.1263","","","","","","1.0261","","","","has coordinates,has disorder","272085","2022-01-17","22:50:04",""
"7129586","19.5523","0.0007","8.3138","0.0003","33.9151","0.0012","90","","96.284","0.001","90","","5479.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H42 B18 Co N O3 -","- C13 H42 B18 Co N O3 -","- C104 H336 B144 Co8 N8 O24 -","8","1","","El Anwar, Suzan; Pazderová, Lucia; Bavol, Dmytro; Bakardjiev, Mario; Ruzickova, Zdenka; Horáček, Ondřej; Fojt, Lukáš; Kucera, Radim; Gruner, Bohumir","Structurally rigidified cobalt bis(dicarbollide) derivatives, a chiral platform for labelling of biomolecules and new materials","Chemical Communications","2022","","","","","10.1039/D1CC06979A","","","0.71073","MoKα","","0.0447","0.034","","","0.0717","0.0749","","","","","","1.066","","","","has coordinates,has disorder","272106","2022-01-18","22:49:08",""
"7129587","19.2195","0.0012","12.1823","0.0009","20.1517","0.001","90","","90","","90","","4718.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H36 B18 Co N O2 -","- C10 H36 B18 Co N O2 -","- C80 H288 B144 Co8 N8 O16 -","8","1","","El Anwar, Suzan; Pazderová, Lucia; Bavol, Dmytro; Bakardjiev, Mario; Ruzickova, Zdenka; Horáček, Ondřej; Fojt, Lukáš; Kucera, Radim; Gruner, Bohumir","Structurally rigidified cobalt bis(dicarbollide) derivatives, a chiral platform for labelling of biomolecules and new materials","Chemical Communications","2022","","","","","10.1039/D1CC06979A","","","0.71073","MoKα","","0.1086","0.0637","","","0.1296","0.149","","","","","","1.064","","","","has coordinates,has disorder","272106","2022-01-18","22:49:09",""
"7129588","4.8974","0.0001","10.1935","0.0003","32.6734","0.0011","90","","90","","90","","1631.11","0.08","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3-(benzylamino)-1-phenylhex-5-en-2-ol","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Pyne, Stephen G.; Chevis, Philip; Promchai, Thanika; Richardson, Christopher; Limtharakul, Thunwadee","Synthesis of syn- and enantioenriched anti--amino alcohols by highly diastereoselective borono-Mannich allylation reactions","Chemical Communications","2022","","","","","10.1039/D1CC06775C","","x-ray","0.71073","MoKα","","0.054","0.0395","","","0.0854","0.0914","","","","","","1.036","","","","has coordinates,has disorder","272107","2022-01-18","22:49:59",""
"7129589","6.7004","0.0002","18.4346","0.0003","10.0905","0.0002","90","","107.339","0.002","90","","1189.73","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C56 H68 O8 -","2","1","","Ruan, Mengyao; Chen, Liang; Wen, ziyang; Yang, Fan; Ma, Chao; Lu, Cuifen; Yang, Guichun; Gao, Meng","Electrochemical Two-electron Oxygen Reduction Reaction (ORR) Induced Aerobic Oxidation of α- Diazoesters","Chemical Communications","2022","","","","","10.1039/D1CC06945D","","x-ray","1.54184","CuKα","","0.0401","0.0371","","","0.0968","0.1018","","","","","","1.043","","","","has coordinates","272108","2022-01-18","22:50:20",""
"7129590","13.0522","0.0006","12.594","0.0004","10.8967","0.0004","90","","108.75","0.004","90","","1696.13","0.12","90","2","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B Cl N2 O2 Si -","- C16 H18 B Cl N2 O2 Si -","- C64 H72 B4 Cl4 N8 O8 Si4 -","4","1","","Tsuda, Masato; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of isoxazoloazaborines via gold(i)-catalyzed propargyl aza-Claisen rearrangement/borylative cyclization cascade","Chemical Communications","2022","","","","","10.1039/D1CC07002A","","x-ray","1.54184","CuKα","","0.0403","0.0393","","","0.1145","0.1153","","","","","","1.081","","","","has coordinates","272136","2022-01-19","22:48:19",""
"7129591","10.2669","0.0003","12.802","0.0004","14.8879","0.0004","65.941","0.003","89.968","0.002","88.77","0.002","1786.34","0.1","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 B Cl N2 O3 Si -","- C16 H20 B Cl N2 O3 Si -","- C64 H80 B4 Cl4 N8 O12 Si4 -","4","2","","Tsuda, Masato; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of isoxazoloazaborines via gold(i)-catalyzed propargyl aza-Claisen rearrangement/borylative cyclization cascade","Chemical Communications","2022","","","","","10.1039/D1CC07002A","","x-ray","1.54184","CuKα","","0.0412","0.0402","","","0.11","0.1105","","","","","","1.08","","","","has coordinates","272136","2022-01-19","22:48:20",""
"7129592","29.3806","0.001","23.8849","0.0006","25.2367","0.0009","90","","106.467","0.004","90","","16983.5","1","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C176 H174 B8 Cl8 N16 O8 Si8 -","- C176 H174 B8 Cl8 N16 O8 Si8 -","- C704 H696 B32 Cl32 N64 O32 Si32 -","4","1","","Tsuda, Masato; Morita, Taiki; Nakamura, Hiroyuki","Synthesis of isoxazoloazaborines via gold(i)-catalyzed propargyl aza-Claisen rearrangement/borylative cyclization cascade","Chemical Communications","2022","","","","","10.1039/D1CC07002A","","x-ray","1.54184","CuKα","","0.1005","0.0693","","","0.1733","0.1901","","","","","","1.047","","","","has coordinates,has disorder","272136","2022-01-19","22:48:20",""
"7129593","7.932","0.0003","9.4729","0.0004","17.8231","0.0007","90","","97.434","0.004","90","","1327.95","0.09","290.45","0.1","290.45","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 S -","- C15 H11 Br N2 S -","- C60 H44 Br4 N8 S4 -","4","1","","Sun, Qing; Bao, Xiaoguang","Facile preparation of dihydro-1,4-benzothiazine derivatives via oxidative ring-expansion of 2-aminobenzothiazoles with olefins","Chemical Communications","2022","","","","","10.1039/D1CC06756G","","","1.54184","CuKα","","0.061","0.0556","","","0.1415","0.1501","","","","","","1.044","","","","has coordinates","272137","2022-01-19","22:48:53",""
"7129594","11.834","0.0003","13.5204","0.0003","16.9352","0.0004","90.411","0.001","91.321","0.001","97.818","0.001","2683.59","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O4 S2 -","- C27 H26 N4 O4 S2 -","- C108 H104 N16 O16 S8 -","4","2","","Gayyur,; Choudhary, Shivani; Kant, Ruchir; Ghosh, Nayan","Synergetic copper/zinc catalysis: synthesis of aryl/heteroaryl-fused 1H-pyrrolo[3,2-c]pyridines","Chemical Communications","2022","","","","","10.1039/D1CC05514C","","x-ray","0.71073","MoKα","","0.0873","0.0695","","","0.1859","0.1967","","","","","","1.024","","","","has coordinates","272138","2022-01-19","22:49:16",""
"7129595","12.6646","0.0001","18.2257","0.0001","16.7666","0.0001","90","","105.86","0.001","90","","3722.76","0.05","100","0.12","100","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H53.194 B Br0.741 Cl1.065 O0.194 -","- C42 H53.194 B Br0.741 Cl1.065 O0.194 -","- C168 H212.776 B4 Br2.964 Cl4.26 O0.776 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Kinetic stabilization allows structural analysis of a benzoborirene","Chemical Communications","2022","","","","","10.1039/D1CC06588B","","x-ray","1.54184","CuKα","","0.0629","0.0622","","","0.135","0.1353","","","","","","1.093","","","","has coordinates,has disorder","272161","2022-01-20","22:48:46",""
"7129596","16.61817","0.00014","25.11861","0.00017","8.47933","0.00006","90","","90","","90","","3539.49","0.05","99.99","0.11","99.99","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C42 H53 B -","- C42 H53 B -","- C168 H212 B4 -","4","0.5","","Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Kinetic stabilization allows structural analysis of a benzoborirene","Chemical Communications","2022","","","","","10.1039/D1CC06588B","","x-ray","1.54184","CuKα","","0.0506","0.0439","","","0.1118","0.1167","","","","","","1.024","","","","has coordinates","272161","2022-01-20","22:48:47",""
"7129597","12.5107","0.0005","18.595","0.0008","18.2194","0.0007","90","","105.662","0.001","90","","4081.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 B Cl Si -","- C45 H62 B Cl Si -","- C180 H248 B4 Cl4 Si4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Kinetic stabilization allows structural analysis of a benzoborirene","Chemical Communications","2022","","","","","10.1039/D1CC06588B","","","0.71073","MoKα","","0.0714","0.0495","","","0.1121","0.127","","","","","","1.029","","","","has coordinates,has disorder","272161","2022-01-20","22:48:47",""
"7129598","8.9554","0.0005","11.4309","0.0006","12.4135","0.0009","90","","110.928","0.002","90","","1186.92","0.13","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Compound 5","","- C20 H32 Cl2 Fe P4 -","- C20 H32 Cl2 Fe P4 -","- C40 H64 Cl4 Fe2 P8 -","2","0.5","","Zurakowski, Joseph A.; Austen, Brady; Brown, Kasey C.; Drover, Marcus W.","Bis(1-Bora-4-phosphorinane) Ring Closure at Cp*M (M = Fe, Co) Complexes","Chemical Communications","2022","","","","","10.1039/D1CC07060F","","","0.71073","MoKα","","0.064","0.0366","","","0.0645","0.0708","","","","","","1.044","","","","has coordinates","272163","2022-01-20","22:50:03",""
"7129599","12.5361","0.0008","11.7955","0.0007","30.901","0.002","90","","91.299","0.002","90","","4568.1","0.5","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B2 Cl Fe P2 -","- C38 H57 B2 Cl Fe P2 -","- C152 H228 B8 Cl4 Fe4 P8 -","4","1","","Zurakowski, Joseph A.; Austen, Brady; Brown, Kasey C.; Drover, Marcus W.","Bis(1-Bora-4-phosphorinane) Ring Closure at Cp*M (M = Fe, Co) Complexes","Chemical Communications","2022","","","","","10.1039/D1CC07060F","","","1.54178","CuKα","","0.0801","0.0654","","","0.153","0.1599","","","","","","1.036","","","","has coordinates","272163","2022-01-20","22:50:04",""
"7129600","16.0479","0.0007","28.4512","0.0013","18.5315","0.0009","90","","90","","90","","8461.1","0.7","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","FeCp*(dvpe)Cl","","- C80 H124 Cl4 Fe4 P8 -","- C80 H124 Cl4 Fe4 P8 -","- C320 H496 Cl16 Fe16 P32 -","4","1","","Zurakowski, Joseph A.; Austen, Brady; Brown, Kasey C.; Drover, Marcus W.","Bis(1-Bora-4-phosphorinane) Ring Closure at Cp*M (M = Fe, Co) Complexes","Chemical Communications","2022","","","","","10.1039/D1CC07060F","","","1.54178","CuKα","","0.0702","0.0493","","","0.0978","0.1081","","","","","","1.027","","","","has coordinates,has disorder","272163","2022-01-20","22:50:04",""
"7129601","11.1214","0.0002","7.3026","0.0001","19.6104","0.0004","90","","105.943","0.002","90","","1531.4","0.05","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H13 Br N2 O S -","- C16 H13 Br N2 O S -","- C64 H52 Br4 N8 O4 S4 -","4","2","","Oyamada, Yusuke; Inaba, Kazuto; Sasamori, Takahiro; Nakamura, Shuichi","Enantioselective reaction of N-cyano imines: decarboxylative Mannich-type reaction with malonic acid half thioesters","Chemical Communications","2022","","","","","10.1039/D1CC07191B","","","0.71073","MoKα","","0.0422","0.0357","","","0.0836","0.0871","","","","","","1.04","","","","has coordinates","272192","2022-01-21","22:49:14",""
"7129602","18.5972","0.0002","20.7368","0.0003","30.3057","0.0003","78.306","0.001","82.382","0.001","82","0.001","11267.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","indigo carmine","","","- C256 H320 N88 O93 Pd12 S8 -","- C256 H320 N88 O93 Pd12 S8 -","- C256 H320 N88 O93 Pd12 S8 -","1","0.5","","Yanshyna, Oksana; Avram, Liat; Shimon, Linda J. W.; Klajn, Rafal","Coexistence of 1 : 1 and 2 : 1 inclusion complexes of indigo carmine","Chemical Communications","2022","","","","","10.1039/D1CC07081A","","","1.54184","CuKα","","0.0732","0.0659","","","0.1845","0.1917","","","","","","1.085","","","","has coordinates,has disorder","272203","2022-01-22","22:48:18",""
"7129603","18.9","0.0005","20.5889","0.0005","30.2601","0.0008","78.576","0.002","82.416","0.002","82.952","0.002","11384.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","indigo carmine","","","- C256 H320 N98 Na2 O181 Pd12 S8 -","- C256 H320 N98 Na2 O181 Pd12 S8 -","- C256 H320 N98 Na2 O181 Pd12 S8 -","1","0.5","","Yanshyna, Oksana; Avram, Liat; Shimon, Linda J. W.; Klajn, Rafal","Coexistence of 1 : 1 and 2 : 1 inclusion complexes of indigo carmine","Chemical Communications","2022","","","","","10.1039/D1CC07081A","","","0.71073","MoKα","","0.1326","0.1017","","","0.2653","0.2861","","","","","","1.075","","","","has coordinates","272203","2022-01-22","22:48:19",""
"7129604","19.3459","0.0007","15.9668","0.0006","21.2957","0.0008","90","","95.564","0.003","90","","6547.1","0.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H64 Cl4 O20 -","- C67 H64 Cl4 O20 -","- C268 H256 Cl16 O80 -","4","1","","Yao, Yong; Lu, Bing; Yan, Xin; Wang, Jian; Jing, Danni; Bei, Jiali; Cai, Yan","Rim-Differentiated Pillar[5]arene Based Nonporous Adaptive Crystals","Chemical Communications","2022","","","","","10.1039/D1CC07124F","","","1.54184","CuKα","","0.0985","0.0673","","","0.1752","0.2049","","","","","","1.026","","","","has coordinates,has disorder","272204","2022-01-22","22:48:42",""
"7129605","13.9071","0.001","14.914","0.0012","16.1401","0.0013","109.976","0.002","113.932","0.002","98.587","0.002","2709.4","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","methyl 6-((2-oxo-2H-chromen-4-yl)oxy)-3-((triisopropylsilyl)ethynyl)hexanoate","","- C27 H38 O5 Si -","- C27 H38 O5 Si -","- C108 H152 O20 Si4 -","4","2","","Li, Xiang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intermolecular Alkynylcarbonylation of Unactivated Alkenes: Easy Access to β-Alkynylcarboxylic Esters","Chemical Communications","2022","","","","","10.1039/D1CC07092D","","","0.71073","MoKα","","0.1098","0.0727","","","0.1705","0.1962","","","","","","1.046","","","","has coordinates,has disorder","272205","2022-01-22","22:49:06",""
"7129606","9.4255","0.0005","34.4504","0.0018","8.2876","0.0005","90","","102.801","0.006","90","","2624.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C112 H112 N8 O20 S4 -","4","1","","Han, Xu; Gaignard-Gaillard, Quentin; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud","Synthesis of Chiral Polycyclic N-Heterocycles via Gold(I)-Catalyzed 1,6-Enyne Cyclization/Intramolecular Nucleophilic Addition","Chemical Communications","2022","","","","","10.1039/D1CC06388J","","x-ray","0.71073","MoKα","","0.0842","0.0541","","","0.1223","0.1347","","","","","","1.023","","","","has coordinates","272224","2022-01-25","22:49:06",""
"7129607","11.1095","0.0003","8.1293","0.0002","22.4667","0.0006","90","","103.438","0.002","90","","1973.47","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O3 S -","- C23 H21 N3 O3 S -","- C92 H84 N12 O12 S4 -","4","1","","Han, Xu; Gaignard-Gaillard, Quentin; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud","Synthesis of Chiral Polycyclic N-Heterocycles via Gold(I)-Catalyzed 1,6-Enyne Cyclization/Intramolecular Nucleophilic Addition","Chemical Communications","2022","","","","","10.1039/D1CC06388J","","x-ray","0.71073","MoKα","","0.0422","0.0368","","","0.0984","0.1013","","","","","","1.029","","","","has coordinates","272224","2022-01-25","22:49:07",""
"7129608","17.5384","0.0003","11.5092","0.0002","9.5134","0.0002","90","","102.451","0.002","90","","1875.14","0.06","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TN-Ant","","","- C24 H22 S2 -","- C24 H22 S2 -","- C96 H88 S8 -","4","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0344","0.0309","","","0.0897","0.0994","","","","","","1.095","","","","has coordinates","272225","2022-01-25","22:50:48",""
"7129609","9.0966","0.0002","10.4919","0.0002","11.1191","0.0002","91.463","0.001","91.368","0.002","111.185","0.002","988.55","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","rac-oxTN-Pyrene","","","- C26 H22 O S2 -","- C26 H22 O S2 -","- C52 H44 O2 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0514","0.047","","","0.1204","0.1243","","","","","","1.074","","","","has coordinates","272225","2022-01-25","22:50:49",""
"7129610","11.3275","0.0004","8.1766","0.0003","34.8684","0.0013","90","","90","","90","","3229.5","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","TN-Napt","","","- C20 H20 S2 -","- C20 H20 S2 -","- C160 H160 S16 -","8","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.1255","0.0586","","","0.0928","0.1108","","","","","","1.007","","","","has coordinates,has disorder","272225","2022-01-25","22:50:50",""
"7129611","7.7355","0.0003","9.6941","0.0002","8.6079","0.0003","90","","114.813","0.004","90","","585.9","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","dioxTN-Br","","","- C10 H13 Br O2 S2 -","- C10 H13 Br O2 S2 -","- C20 H26 Br2 O4 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0231","0.0215","","","0.0527","0.0531","","","","","","1.097","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129612","7.6628","0.0002","9.6181","0.0002","15.2176","0.0003","90","","90","","90","","1121.56","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-oxTN-Br","(S)-2-bromo-4,5,6,7,8,9-hexahydrothieno[2,3-b]thionine S-oxide","","- C10 H13 Br O S2 -","- C10 H13 Br O S2 -","- C40 H52 Br4 O4 S8 -","4","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0187","0.0174","","","0.0379","0.0384","","","","","","1.073","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129613","7.59897","0.00014","9.8836","0.0002","14.0367","0.0003","90.1743","0.0018","96.6412","0.0016","110.744","0.0019","978.17","0.04","146","2","146","2","","","","","","","","3","P -1","-P 1","2","TN-Pyrene","","","- C26 H22 S2 -","- C26 H22 S2 -","- C52 H44 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0331","0.0318","","","0.088","0.0891","","","","","","1.056","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129614","8.3391","0.0004","10.2673","0.0004","34.7678","0.0015","90","","96.371","0.004","90","","2958.4","0.2","323","2","323","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H96 O4 S2 -","- C62 H96 O4 S2 -","- C124 H192 O8 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0683","0.0526","","","0.1426","0.1531","","","","","","1.01","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129615","8.2061","0.0002","10.2572","0.0002","33.991","0.001","90","","93.477","0.003","90","","2855.81","0.12","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H96 O4 S2 -","- C62 H96 O4 S2 -","- C124 H192 O8 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0667","0.0444","","","0.0977","0.1137","","","","","","1.068","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129616","7.4497","0.0001","9.4297","0.0001","12.1517","0.0002","90","","91.419","0.002","90","","853.38","0.02","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-oxTN-2Napt","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C40 H40 O2 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0217","0.0215","","","0.0589","0.059","","","","","","1.034","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129617","7.2391","0.0001","15.9453","0.0002","7.4167","0.0001","90","","105.656","0.002","90","","824.34","0.02","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-oxTN-1Napt","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C40 H40 O2 S4 -","2","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0201","0.0199","","","0.0546","0.0547","","","","","","1.057","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129618","7.6607","0.0001","9.6197","0.0002","15.2085","0.0003","90","","90","","90","","1120.77","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-oxTN-Br","(R)-2-bromo-4,5,6,7,8,9-hexahydrothieno[2,3-b]thionine S-oxide","","- C10 H13 Br O S2 -","- C10 H13 Br O S2 -","- C40 H52 Br4 O4 S8 -","4","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0152","0.0146","","","0.0449","0.0452","","","","","","1.214","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129619","13.6065","0.0005","5.9981","0.0003","7.448","0.0003","90","","99.156","0.004","90","","600.11","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 Cl Cu N S -","- C5 H3 Cl Cu N S -","- C20 H12 Cl4 Cu4 N4 S4 -","4","1","","Liu, Guang-Ning; Xu, Rang-Dong; Li, Ming-Kun; Sun, Yiqiang; Zhou, Meng-Jie; Cai, Rui-Yun; You, Zuo-Jiang; Jiang, Xiao-Ming; Li, Cuncheng","Ultrathin covalent and cuprophilic interaction-assembled copper-sulfur monolayer in organic metal chalcogenide for oriented photoconductivity","Chemical Communications","2022","","","","","10.1039/D2CC00145D","","x-ray","0.71073","MoKα","","0.0458","0.0325","","","0.0722","0.0802","","","","","","1.047","","","","has coordinates","272226","2022-01-25","22:51:45",""
"7129620","9.8692","0.0003","10.1814","0.0004","19.2471","0.0007","90","","90","","90","","1933.99","0.12","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Wang, Meihui; Li, Bo; Gong, Baihui; Yao, Hequan; Lin, Aijun","Synthesis of Pyranopyrazoles with a Chiral Quaternary Carbon Stereocenter via Copper-catalyzed Enantioselective [3+3] Cycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC07058D","","","1.54178","CuKα","","0.0406","0.0373","","","0.0887","0.0916","","","","","","1.059","","","","has coordinates","272252","2022-01-26","22:49:09",""
"7129621","28.8693","0.0006","22.9629","0.0004","19.7457","0.0003","90","","90","","90","","13089.9","0.4","100","0.13","100","0.13","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C18 H44 B12 I12 N6 Na2 O7 -","- C18 H44 B12 I12 N6 Na2 O7 -","- C144 H352 B96 I96 N48 Na16 O56 -","8","1","","Hollow, Sophia E.; Johnstone, Timothy C.","Encapsulation of closo-dodecaiodododecaborate in 2-hydroxypropyl-γ-cyclodextrin prevents hemolysis","Chemical Communications","2022","","","","","10.1039/D1CC06348K","","x-ray","0.71073","MoKα","","0.0767","0.0589","","","0.1497","0.1659","","","","","","1.119","","","","has coordinates,has disorder","272253","2022-01-26","22:49:37",""
"7129622","23.1152","0.0008","23.1152","0.0008","8.1157","0.0005","90","","90","","120","","3755.4","0.3","150","","150","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C16 H12 Hf N4 O8 -","- C16 H12 Hf N4 O8 -","- C48 H36 Hf3 N12 O24 -","3","0.125","","Lai, Qiuxue; Chu, Zhao-Qin; Xiao, Xinyi; Dai, Dejun; Song, Ting; Luo, Tian-Yi; Tang, Wenlei; Feng, Xuan; Zhang, Zhiyuan; Li, Tao; Xiao, Hai; Su, Jing; Liu, Chong","Two-Dimensional Zr/Hf-Hydroxamate Metal-Organic Frameworks","Chemical Communications","2022","","","","","10.1039/D2CC00213B","","","0.71073","MoKα","","0.0618","0.0562","","","0.1386","0.1413","","","","","","1.058","","","","has coordinates,has disorder","272254","2022-01-26","22:50:33",""
"7129623","23.168","0.002","23.168","0.002","8.0801","0.0011","90","","90","","120","","3756","0.7","120","","120","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C16 H12 N4 O8 Zr -","- C16 H12 N4 O8 Zr -","- C48 H36 N12 O24 Zr3 -","3","0.125","","Lai, Qiuxue; Chu, Zhao-Qin; Xiao, Xinyi; Dai, Dejun; Song, Ting; Luo, Tian-Yi; Tang, Wenlei; Feng, Xuan; Zhang, Zhiyuan; Li, Tao; Xiao, Hai; Su, Jing; Liu, Chong","Two-Dimensional Zr/Hf-Hydroxamate Metal-Organic Frameworks","Chemical Communications","2022","","","","","10.1039/D2CC00213B","","","0.71073","MoKα","","0.1019","0.0892","","","0.2487","0.2633","","","","","","1.08","","","","has coordinates,has disorder","272254","2022-01-26","22:50:34",""
"7129624","16.5543","0.0004","8.6038","0.0002","14.9273","0.0004","90","","105.336","0.003","90","","2050.39","0.09","292.2","0.6","292.2","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 I N2 -","- C23 H21 I N2 -","- C92 H84 I4 N8 -","4","1","","Wang, Tianbao; Zheng, Xuesong; Zheng, Qinze; Zhou, Fulin; Wang, Linhua; Gao, Ge","Ni(II)-catalyzed C–H hydroarylation of diarylacetylenes with imidazolium salts","Chemical Communications","2022","","","","","10.1039/D1CC07309E","","x-ray","1.54184","CuKα","","0.0677","0.0618","","","0.1693","0.1795","","","","","","1.062","","","","has coordinates","272255","2022-01-26","22:51:13",""
"7129625","4.965","0.003","14.177","0.008","18.008","0.011","108.736","0.014","92.409","0.013","93.037","0.014","1196.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 F3 N3 O2 S -","- C30 H20 F3 N3 O2 S -","- C60 H40 F6 N6 O4 S2 -","2","1","","Wang, Tianbao; Zheng, Xuesong; Zheng, Qinze; Zhou, Fulin; Wang, Linhua; Gao, Ge","Ni(II)-catalyzed C–H hydroarylation of diarylacetylenes with imidazolium salts","Chemical Communications","2022","","","","","10.1039/D1CC07309E","","","0.71073","MoKα","","0.2783","0.0937","","","0.1769","0.2594","","","","","","1.017","","","","has coordinates,has disorder","272255","2022-01-26","22:51:13",""
"7129626","6.2949","0.0003","22.9315","0.0013","13.8808","0.0008","90","","97.214","0.004","90","","1987.85","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br Cl2 N O3 -","- C18 H18 Br Cl2 N O3 -","- C72 H72 Br4 Cl8 N4 O12 -","4","1","","Zhang, Xitao; Zhang, Sheng; Li, Shihong; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","Three-component addition of terminal alkynes, carboxylic acids, and tert-butyl hypochlorite","Chemical Communications","2022","","","","","10.1039/D2CC00374K","","","0.71073","MoKα","","0.1256","0.0538","","","0.1069","0.132","","","","","","0.981","","","","has coordinates","272256","2022-01-26","22:51:39",""
"7129629","8.012","0.006","9.267","0.006","10.018","0.007","71.03","0.02","73.98","0.02","67.4","0.02","639.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- B6 H10 N O15 P -","- B6 H10 N O15 P -","- B12 H20 N2 O30 P2 -","2","1","","Yu, Hongwei; Yu, Su-Juan; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","NH4(B6PO10(OH)4)·H2O: Exhibiting the Largest Birefringence in Borophosphates","Chemical Communications","2022","","","","","10.1039/D2CC00084A","","","0.71073","MoKα","","0.0696","0.0471","","","0.1091","0.1193","","","","","","1.043","","","","has coordinates","272303","2022-01-27","22:50:40",""
"7129630","21.9078","0.0002","20.3387","0.0001","22.0435","0.0002","90","","100.242","0.001","90","","9665.55","0.14","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Al F36 O4 Sb -","- C36 H30 Al F36 O4 Sb -","- C288 H240 Al8 F288 O32 Sb8 -","8","2","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.54184","CuKα","","0.0584","0.054","","","0.1421","0.1463","","","","","","1.023","","","","has coordinates,has disorder","272304","2022-01-27","22:52:04",""
"7129631","8.537","0.0002","29.4147","0.0005","19.2872","0.0003","90","","100.672","0.002","90","","4759.5","0.16","123.1","0.1","123.1","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Cl2 Mo3 O9 Sb3 -","- C40 H47 Cl2 Mo3 O9 Sb3 -","- C160 H188 Cl8 Mo12 O36 Sb12 -","4","1","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.54184","CuKα","","0.0479","0.0402","","","0.0956","0.1003","","","","","","1.04","","","","has coordinates,has disorder","272304","2022-01-27","22:52:04",""
"7129632","27.8565","0.0005","13.9634","0.0003","20.9861","0.0004","90","","90","","90","","8163","0.3","132","13","132","13","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H116 Fe4 O8 Sb4 -","- C76 H116 Fe4 O8 Sb4 -","- C304 H464 Fe16 O32 Sb16 -","4","1","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.54184","CuKα","","0.0633","0.0538","","","0.1335","0.1425","","","","","","1.025","","","","has coordinates,has disorder","272304","2022-01-27","22:52:04",""
"7129633","10.2505","0.0002","18.2944","0.0005","18.7216","0.0004","88.54","0.002","85.7954","0.0018","75.637","0.002","3391.82","0.14","123","0.13","123","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C62 H87 Fe4 N O8 Sb4 -","- C62 H87 Fe4 N O8 Sb4 -","- C124 H174 Fe8 N2 O16 Sb8 -","2","1","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.39222","CuKβ","","0.0456","0.0422","","","0.1121","0.1152","","","","","","1.089","","","","has coordinates","272304","2022-01-27","22:52:05",""
"7129634","13.0472","0.0002","14.385","0.0002","17.8721","0.0004","90.162","0.002","100.136","0.002","105.043","0.001","3184.65","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C57 H32 Al Cl2 F46 O3 Sb -","- C56 H30 Al F46 O3 Sb -","- C112 H60 Al2 F92 O6 Sb2 -","2","1","","Heinl, Veronika; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Synthesis of polyantimony ligand complexes starting from Cp*4Sb4","Chemical Communications","2022","","","","","10.1039/D1CC06770B","","x-ray","1.54184","CuKα","","0.0295","0.0289","","","0.0754","0.0758","","","","","","1.068","","","","has coordinates","272304","2022-01-27","22:52:05",""
"7129635","15.2425","0.0006","8.2235","0.0003","11.6263","0.0005","90","","100.966","0.001","90","","1430.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FT_156a","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Trauner, Florian; Reiners, Felix; Apaloo-Messan, Kodjo-Edmond; Nißl, Benedikt; Shahbaz, Muhammad; Jiang, Dongfang; Aicher, Julian; Didier, Dorian","Strain-Release Arylations for the Bis-Functionalization of Azetidines","Chemical Communications","2022","","","","","10.1039/D1CC07053C","","","0.71073","MoKα","","0.0473","0.0403","","","0.1041","0.1083","","","","","","1.063","","","","has coordinates","272305","2022-01-27","22:52:55",""
"7129636","9.8319","0.0003","11.5048","0.0003","21.1845","0.0006","90","","96.606","0.003","90","","2380.35","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N1.95 O4 S2.05 -","- C26 H26 N1.95 O4 S2.05 -","- C104 H104 N7.8 O16 S8.2 -","4","1","","Zhang, Ji-Hua; Xiao, Teng-Fei; Ji, Zi-Qin; Chen, Han-Nan; Yan, Pen-Ji; Luo, Yong-Chun; Xu, Peng-Fei; Xu, Guo-Qiang","Organic Photoredox Catalytic Amino-heteroarylation of Unactivated Olefins to Access Distal Amino Ketones","Chemical Communications","2022","","","","","10.1039/D1CC07189K","","x-ray","0.71073","MoKα","","0.0632","0.0486","","","0.1229","0.1309","","","","","","1.074","","","","has coordinates,has disorder","272322","2022-01-28","22:49:57",""
"7129637","13.518","0.002","8.3005","0.0013","25.702","0.004","90","","93.195","0.005","90","","2879.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl3 N O7 -","- C29 H30 Cl3 N O7 -","- C116 H120 Cl12 N4 O28 -","4","1","","Mondal, Biplab; Jagadeesh, Chenna; Das, Dinabandhu; Saha, Jaideep","An acid-promoted pseudocine substitution manifold of γ-aminocyclopentenone enables divergent access to polycyclic indole derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06883K","","","0.71073","MoKα","","0.0889","0.067","","","0.1542","0.1665","","","","","","1.051","","","","has coordinates,has disorder","272323","2022-01-28","22:51:04",""
"7129638","10.0315","0.0017","10.8177","0.0017","13.014","0.002","97.315","0.005","97.743","0.006","111.251","0.005","1280.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C58 H48 N4 O4 -","2","1","","Mondal, Biplab; Jagadeesh, Chenna; Das, Dinabandhu; Saha, Jaideep","An acid-promoted pseudocine substitution manifold of γ-aminocyclopentenone enables divergent access to polycyclic indole derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06883K","","","0.71073","MoKα","","0.0819","0.0661","","","0.2069","0.2241","","","","","","1.045","","","","has coordinates","272323","2022-01-28","22:51:05",""
"7129639","11.9836","0.0017","8.616","0.0012","21.72","0.003","90","","98.21","0.004","90","","2219.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C116 H100 N4 O8 -","4","1","","Mondal, Biplab; Jagadeesh, Chenna; Das, Dinabandhu; Saha, Jaideep","An acid-promoted pseudocine substitution manifold of γ-aminocyclopentenone enables divergent access to polycyclic indole derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06883K","","","0.71073","MoKα","","0.0635","0.0507","","","0.1331","0.1425","","","","","","1.057","","","","has coordinates","272323","2022-01-28","22:51:05",""
"7129640","19.891","0.004","9.6242","0.0019","29.836","0.012","90","","95.97","0.03","90","","5681","3","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H26 Br O2 P -","- C36 H26 Br O2 P -","- C288 H208 Br8 O16 P8 -","8","1","","Xie, Xiao-Yu; Xu, Yun-Fang; Li, Yang; Wang, Xiao-Dong; Zhu, Jie; Wu, Lei","Radical Modulated Regioselective Difunctionalization of Vinyl Enynes: Tunable Access to Naphthalen-1(2H)-ones and Allenic Alcohols","Chemical Communications","2022","","","","","10.1039/D1CC06994B","","","0.71073","MoKα","","0.0623","0.0429","","","0.093","0.1007","","","","","","1.049","","","","has coordinates","272355","2022-01-31","22:50:49",""
"7129641","7.8656","0.0004","8.0258","0.0004","9.6858","0.0005","88.672","0.002","79.601","0.002","65.232","0.002","545.14","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N2 O3 -","- C11 H9 N3 O3 -","- C22 H18 N6 O6 -","2","1","","He, Chuan; Zhu, Liru; Guo, Yonghong; Zu, Bing; Ke, Jie","Electrochemical α-Thiolation and Azidation of 1,3-Dicarbonyls","Chemical Communications","2022","","","","","10.1039/D1CC06891A","","x-ray","1.54178","CuKα","","0.035","0.0328","","","0.0813","0.0826","","","","","","1.045","","","","has coordinates","272356","2022-01-31","22:51:31",""
"7129642","15.9293","0.0005","11.4765","0.0004","17.8993","0.0005","90","","95.454","0.007","90","","3257.4","0.18","103","2","103.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5BF4","","- C27 H16 Au Cl6 F8 N3 Sb -","- C27 H16 Au Cl6 F8 N3 Sb -","- C108 H64 Au4 Cl24 F32 N12 Sb4 -","4","1","","Hattori, Yohei; Kitajima, Ryota; Matsuoka, Ryota; Kusamoto, Tetsuro; Nishihara, Hiroshi; Uchida, Kingo","Amplification of luminescence of stable radicals by coordination to NHC–gold(i) complex","Chemical Communications","2022","","","","","10.1039/D1CC06555F","","x-ray","0.71075","MoKα","","0.0344","0.0314","","","0.0781","0.0797","","","","","","1.075","","","","has coordinates","272398","2022-02-01","22:52:06",""
"7129643","12.4979","0.0002","21.0791","0.0004","22.2535","0.0004","90.337","0.006","95.247","0.007","91.396","0.006","5836.07","0.19","103","2","103.15","","","","","","","","","8","P -1","-P 1","2","","4SbF6 THF cyclohexane","","- C55 H64 Au Cl6 F8 N3 O Sb -","- C55 H64 Au Cl6 F8 N3 O Sb -","- C220 H256 Au4 Cl24 F32 N12 O4 Sb4 -","4","2","","Hattori, Yohei; Kitajima, Ryota; Matsuoka, Ryota; Kusamoto, Tetsuro; Nishihara, Hiroshi; Uchida, Kingo","Amplification of luminescence of stable radicals by coordination to NHC–gold(i) complex","Chemical Communications","2022","","","","","10.1039/D1CC06555F","","x-ray","0.71075","MoKα","","0.0616","0.049","","","0.1167","0.1237","","","","","","1.034","","","","has coordinates,has disorder","272398","2022-02-01","22:52:07",""
"7129644","9.7745","0.0014","9.5549","0.0014","11.5736","0.0017","90","","91.267","0.009","90","","1080.6","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C44 H50 N2 O10 -","2","1","","Sun, Zhongwen; Chen, Lijun; Qiu, Kai-Xiong; Liu, Bo; Li, Hongtao; Yu, Fang","Enantioselective Peroxidation of C-Alkynyl Imines Enabled by Chiral BINOL Calcium Phosphate","Chemical Communications","2022","","","","","10.1039/D1CC07156D","","","1.54178","CuKα","","0.1146","0.0811","","","0.237","0.2647","","","","","","1.099","","","","has coordinates","272399","2022-02-01","22:52:35",""
"7129645","8.7563","0.001","5.3376","0.0007","33.444","0.006","90","","94.906","0.004","90","","1557.4","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-tosyl-9H-xanthene","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Das, Sumit; Roy, Shantonu; Bhowmik, arup; Sarkar, Writhabrata; Mondal, Imtiaj; Mishra, Aniket; Saha, Shubhra Jyoti; Karmakar, Sudip; Deb, Indubhusan","A Radical-Radical Cross-Coupling Reaction of Xanthene with Sulfonyl Hydrazides: Facile Access to Xanthen-9-sulfone Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC07143B","","","1.54178","CuKα","","0.0402","0.04","","","0.1164","0.1166","","","","","","1.141","","","","has coordinates","272430","2022-02-02","22:51:09",""
"7129646","37.7469","0.0014","13.0363","0.0006","15.4303","0.0007","90","","111.521","0.004","90","","7063.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd Cl2 N2 O4 -","- C36 H28 Cd Cl2 N2 O4 -","- C288 H224 Cd8 Cl16 N16 O32 -","8","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.079","0.0593","","","0.16","0.1792","","","","","","1.063","","","","has coordinates,has disorder","272431","2022-02-02","22:52:05",""
"7129647","9.228","0.006","12.711","0.009","16.916","0.011","71.172","0.007","76.036","0.008","78.145","0.008","1805","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32.5 Cd Cl2 N2.5 O5 -","- C38 H33.5 Cd Cl2 N2.5 O5 -","- C76 H67 Cd2 Cl4 N5 O10 -","2","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.0435","0.0371","","","0.1008","0.1068","","","","","","1.079","","","","has coordinates,has disorder","272431","2022-02-02","22:52:06",""
"7129648","36.91","0.02","11.996","0.007","16.488","0.009","90","","111.323","0.011","90","","6801","7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd Cl2 N2 O4 -","- C36 H28 Cd Cl2 N2 O4 -","- C288 H224 Cd8 Cl16 N16 O32 -","8","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.0387","0.0322","","","0.082","0.0863","","","","","","1.066","","","","has coordinates","272431","2022-02-02","22:52:06",""
"7129649","22.4179","0.0009","20.646","0.0005","15.1267","0.0006","90","","110.979","0.004","90","","6537.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cd Cl2 N2 O4 -","- C36 H28 Cd Cl2 N2 O4 -","- C288 H224 Cd8 Cl16 N16 O32 -","8","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.0383","0.0287","","","0.066","0.071","","","","","","1.039","","","","has coordinates","272431","2022-02-02","22:52:06",""
"7129650","17.3731","0.0016","11.8564","0.0012","32.707","0.004","90","","97.366","0.008","90","","6681.5","1.2","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C36 H24 Cd Cl2 N2 O4 -","- C36 H24 Cd Cl2 N2 O4 -","- C288 H192 Cd8 Cl16 N16 O32 -","8","1","","Wu, Jia-Wei; Long, Bing-Fan; Wang, Meng-Fan; Young, David James; Hu, Fei-Long; Mi, Yan; Lang, Jian-Ping","Tunable photosalient behaviours within coordination polymers via functional molecular prearrangements","Chemical Communications","2022","","","","","10.1039/D1CC07139D","","","0.71073","MoKα","","0.0983","0.0614","","","0.1392","0.1553","","","","","","1.033","","","","has coordinates,has disorder","272431","2022-02-02","22:52:06",""
"7129651","7.851","0.005","7.851","0.005","6.462","0.006","90","","90","","120","","344.9","0.4","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C12 Mn3 O22.2 Rb2 -","- C12 Mn3 O22.2 Rb2 -","- C12 Mn3 O22.2 Rb2 -","1","0.0416667","","Wu, Xiaoyu; Wu, Haowei; Wu, Sicheng; Sun, Yimeng; Zhu, Jia; Zou, Ye; Xu, Wei; Zhu, Daoben","Chemical structure modulation in conductive MOFs by adjusting the oxidation state of the ligand and introducing alkali metal ions","Chemical Communications","2022","","","","","10.1039/D1CC06407J","powder diffraction","x-ray","0.69","synchrotron","","0.056","0.056","","0.0795","0.0795","","","","3.29","","","","","","","has coordinates","272493","2022-02-03","22:53:48",""
"7129652","7.4696","0.0019","7.4696","0.0019","5.847","0.004","90","","90","","120","","282.5","0.2","293","","293","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- C12 Mn5 O12 -","- C12 Mn5 O12 -","- C12 Mn5 O12 -","1","0.0416667","","Wu, Xiaoyu; Wu, Haowei; Wu, Sicheng; Sun, Yimeng; Zhu, Jia; Zou, Ye; Xu, Wei; Zhu, Daoben","Chemical structure modulation in conductive MOFs by adjusting the oxidation state of the ligand and introducing alkali metal ions","Chemical Communications","2022","","","","","10.1039/D1CC06407J","powder diffraction","x-ray","0.69","synchrotron","","0.1347","0.1298","","0.1549","0.1548","","","","3.1652","","","","","","","has coordinates","272495","2022-02-03","22:54:10",""
"7129653","7.844","0.004","7.844","0.004","6.985","0.005","90","","90","","120","","372.2","0.4","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C12 Cs2 Mn3 O17.94 -","- C12 Cs2 Mn3 O17.94 -","- C12 Cs2 Mn3 O17.94 -","1","0.0416667","","Wu, Xiaoyu; Wu, Haowei; Wu, Sicheng; Sun, Yimeng; Zhu, Jia; Zou, Ye; Xu, Wei; Zhu, Daoben","Chemical structure modulation in conductive MOFs by adjusting the oxidation state of the ligand and introducing alkali metal ions","Chemical Communications","2022","","","","","10.1039/D1CC06407J","powder diffraction","x-ray","0.69003","synchrotron","","0.0458","0.0458","","0.0627","0.0627","","","","1.89","","","","","","","has coordinates","272497","2022-02-03","22:54:34",""
"7129654","13.0103","0.0006","19.7417","0.0009","24.1171","0.001","90","","91.046","0.002","90","","6193.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H88 O12 -","- C68 H88 O12 -","- C272 H352 O48 -","4","1","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7749","Synchrotron","","0.0729","0.0629","","","0.1747","0.1856","","","","","","1.053","","","","has coordinates,has disorder","272499","2022-02-03","22:56:27",""
"7129655","16.383","0.011","11.516","0.007","21.907","0.015","90","","113.553","0.017","90","","3789","4","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C92 H100 N4 O4 -","- C92 H100 N4 O4 -","- C184 H200 N8 O8 -","2","0.5","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0793","0.0628","","","0.1631","0.1791","","","","","","1.003","","","","has coordinates,has disorder","272499","2022-02-03","22:56:28",""
"7129656","12.0951","0.0005","12.0951","0.0005","22.4894","0.001","90","","90","","90","","3290","0.2","100","2","100.15","","","","","","","","","4","I -4","I -4","82","","","","- C64 H72 N8 O4 -","- C64 H72 N8 O4 -","- C128 H144 N16 O8 -","2","0.25","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0555","0.0534","","","0.149","0.1523","","","","","","1.061","","","","has coordinates","272499","2022-02-03","22:56:28",""
"7129657","25.0238","0.0007","25.0238","0.0007","10.8155","0.0006","90","","90","","90","","6772.6","0.5","120.01","0.1","120.01","0.1","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- C146 H175 N5 O24 -","- C146 H175 N5 O24 -","- C292 H350 N10 O48 -","2","0.25","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","x-ray","0.71073","MoKα","","0.0624","0.052","","","0.1006","0.1046","","","","","","1.101","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7129658","16.153","0.009","11.48","0.006","21.506","0.012","90","","109.163","0.009","90","","3767","4","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C88 H96 N8 O4 -","- C88 H96 N8 O4 -","- C176 H192 N16 O8 -","2","0.5","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0719","0.0581","","","0.148","0.1598","","","","","","0.935","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7129659","10.9501","0.0004","21.9386","0.0008","25.0173","0.0009","90","","90","","90","","6009.9","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C68 H80 N8 O4 -","- C68 H79.5 N8 O4 -","- C272 H318 N32 O16 -","4","0.5","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0713","0.0615","","","0.1833","0.1953","","","","","","1.029","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7129660","16.9126","0.0011","24.2434","0.0015","15.194","0.0011","90","","90.126","0.003","90","","6229.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H92 N4 O6 -","- C70 H92 N4 O6 -","- C280 H368 N16 O24 -","4","1","","Fong, Angela; Cambell, Cameron; Huynh, Silvia; McCormick McPherson, Laura J.; Teat, Simon; Bebbington, Magnus W. P.; Dalgarno, Scott","Facile Synthetic Routes to Bridge-Functionalised Calix[4]arenes","Chemical Communications","2022","","","","","10.1039/D1CC06889J","","","0.7288","Synchrotron","","0.0612","0.0533","","","0.1416","0.1495","","","","","","1.053","","","","has coordinates,has disorder","272499","2022-02-03","22:56:29",""
"7129661","6.478","0.002","8.078","0.003","15.574","0.005","81.981","0.008","89.271","0.009","88.832","0.008","806.8","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C38 H34 N2 O6 S2 -","2","1","","Miura, Tomoya; Moritani, Shunsuke; Shiratori, Yota; Murakami, Masahiro","1,2-Acyl migration with α-imino rhodium carbenoids leading to substituted 1-naphthols","Chemical Communications","2022","","","","","10.1039/D1CC06349A","","","0.71075","MoKα","","0.0526","0.0468","","","0.1506","0.1554","","","","","","1.089","","","","has coordinates","272500","2022-02-03","22:57:29",""
"7129662","13.1696","0.0002","13.5821","0.0002","16.0892","0.0002","89.237","0.001","71.115","0.001","61.112","0.002","2348.33","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C108 H100 N6 Si4 -","- C108 H100 N6 Si4 -","- C108 H100 N6 Si4 -","1","0.5","","Droege, Daniel G.; Johnstone, Timothy C.","A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells","Chemical Communications","2022","","","","","10.1039/D1CC05542A","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0859","0.0872","","","","","","1.041","","","","has coordinates,has disorder","272501","2022-02-03","22:58:06",""
"7129663","16.3187","0.0002","12.848","0.0002","23.5087","0.0002","90","","106.8","0.001","90","","4718.53","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C107 H98 Cl2 Fe N5 O Si4 -","- C107 H98 Cl2 Fe N5 O Si4 -","- C214 H196 Cl4 Fe2 N10 O2 Si8 -","2","0.5","","Droege, Daniel G.; Johnstone, Timothy C.","A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells","Chemical Communications","2022","","","","","10.1039/D1CC05542A","","x-ray","1.54184","CuKα","","0.069","0.0648","","","0.1816","0.1847","","","","","","1.065","","","","has coordinates,has disorder","272501","2022-02-03","22:58:06",""
"7129664","14.0352","0.0001","14.4881","0.0001","16.9509","0.0001","72.645","0.001","80.271","0.001","86.777","0.001","3242.56","0.04","100.01","0.11","100.01","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C111 H99 Cl21 Fe N4 Na3 O18 S10 -","- C111 H99 Cl21 Fe N4 Na3 O18 S10 -","- C111 H99 Cl21 Fe N4 Na3 O18 S10 -","1","0.5","","Droege, Daniel G.; Johnstone, Timothy C.","A water-soluble iron-porphyrin complex capable of rescuing CO-poisoned red blood cells","Chemical Communications","2022","","","","","10.1039/D1CC05542A","","x-ray","1.54184","CuKα","","0.059","0.0573","","","0.1581","0.1595","","","","","","1.037","","","","has coordinates,has disorder","272501","2022-02-03","22:58:06",""
"7129665","13.0757","0.0006","17.7775","0.0008","18.1806","0.0008","80.129","0.004","70.657","0.004","89.633","0.004","3922.8","0.3","160","1","160","1","","","","","","","","2","P -1","-P 1","2","","","","- C51.5 H49 -","- C49 H43 -","- C196 H172 -","4","2","","Valenta, Leoš; Mayländer, Maximilian; Kappeler, Pia; Blacque, Olivier; Solomek, Tomas; Richert, Sabine; Juríček, Michal","Trimesityltriangulene: A Persistent Derivative of Clar’s Hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC00352J","","x-ray","1.54184","CuKα","","0.1293","0.084","","","0.232","0.268","","","","","","1.033","","","","has coordinates","272795","2022-02-04","22:50:50",""
"7129666","8.526","0.0007","7.7633","0.0006","9.5887","0.0008","90","","98.91","0.003","90","","627.02","0.09","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","1","","Zheng, Long-Sheng; Yin, Congcong; Wang, Fangyuan; Chen, Gen-Qiang; Zhang, Xumu","Enantioselective synthesis of cis-hexahydro-γ-carboline derivatives via Ir-catalysed asymmetric hydrogenation","Chemical Communications","2022","","","","","10.1039/D1CC06888A","","x-ray","1.54178","CuKα","","0.0332","0.0331","","","0.0858","0.0859","","","","","","1.069","","","","has coordinates","272796","2022-02-04","22:51:15",""
"7129667","15.223","0.003","10.344","0.002","19.924","0.004","90","","90","","90","","3137.4","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","","Li, Hao; He, Yishu; Zhang, Di; Yang, Li; Zhang, Jiarui; Long, Rui-ling; Lu, Ji; Wei, Jun; Yang, Lin; Wei, Siping; Yi, Dong; Zhang, Zhijie; Fu, Qiang","Hydrogen bond, as a protecting group, enables the photocatalytic [2+2] cycloaddition of redox-active aliphatic amine-containing indole derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06935G","","","0.71073","MoKα","","0.0617","0.0472","","","0.1352","0.1509","","","","","","1.086","","","","has coordinates","272797","2022-02-04","22:51:37",""
"7129668","8.2069","0.0003","26.81","0.0011","8.7494","0.0004","90","","105.943","0.002","90","","1851.06","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Zhao, Yue; Yu, Congjun; Liang, Wenjing; Atodiresei, Iuliana L.; Patureau, Frederic W.","TEMPO-mediated late stage photochemical hydroxylation of biaryl sulfonium salts","Chemical Communications","2022","","","","","10.1039/D1CC07057F","","","0.71073","MoKα","","0.082","0.0507","","","0.1295","0.1491","","","","","","1.026","","","","has coordinates","272839","2022-02-07","22:52:04",""
"7129669","11.598","0.006","9.723","0.006","18.055","0.011","90","","99.76","0.018","90","","2007","2","289","2","289","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PH-ta-[2,4]-Ph","2,4-diphenyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazine","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Mukherjee, Sourav; Lochab, Bimlesh","Synthesis and Thermal Behaviour of Thiophene-Based Oxazine-Ring Substituted Benzoxazine Monomers & Polymers","Chemical Communications","2022","","","","","10.1039/D2CC00043A","","","0.71073","MoKα","","0.0767","0.0528","","","0.1491","0.1699","","","","","","1.034","","","","has coordinates","272840","2022-02-07","22:52:28",""
"7129670","13.186","0.003","18.874","0.005","22.343","0.006","94.774","0.01","103.543","0.011","92.404","0.012","5376","2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C112.54 H103.19 B F24.55 Ge N Ni P3 Si -","- C112.545 H103.185 B F24.545 Ge N Ni P3 Si -","- C225.09 H206.37 B2 F49.09 Ge2 N2 Ni2 P6 Si2 -","2","1","","Hadlington, Terrance J.; Keil, Philip Maximilian","Accessing cationic tetrylene-nickel(0) systems featuring donor-acceptor E-Ni triple bonds (E = Ge, Sn)","Chemical Communications","2022","","","","","10.1039/D2CC00422D","","","0.71073","MoKα","","0.1011","0.059","","","0.1514","0.1733","","","","","","1.023","","","","has coordinates,has disorder","272841","2022-02-07","22:54:27",""
"7129671","15.832","0.003","9.619","0.002","16.603","0.003","90","","112.86","0.03","90","","2329.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl Ge N Si -","- C21 H38 Cl Ge N Si -","- C84 H152 Cl4 Ge4 N4 Si4 -","4","1","","Hadlington, Terrance J.; Keil, Philip Maximilian","Accessing cationic tetrylene-nickel(0) systems featuring donor-acceptor E-Ni triple bonds (E = Ge, Sn)","Chemical Communications","2022","","","","","10.1039/D2CC00422D","","","0.71073","MoKα","","0.1382","0.0519","","","0.0916","0.1094","","","","","","0.863","","","","has coordinates","272841","2022-02-07","22:54:28",""
"7129672","9.148","0.002","9.655","0.002","15.011","0.003","101.8","0.03","96.15","0.03","109.26","0.03","1203.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H76 Cl2 N2 Si2 Sn2 -","- C42 H76 Cl2 N2 Si2 Sn2 -","- C42 H76 Cl2 N2 Si2 Sn2 -","1","0.5","","Hadlington, Terrance J.; Keil, Philip Maximilian","Accessing cationic tetrylene-nickel(0) systems featuring donor-acceptor E-Ni triple bonds (E = Ge, Sn)","Chemical Communications","2022","","","","","10.1039/D2CC00422D","","","0.71073","MoKα","","0.0199","0.0167","","","0.0432","0.0439","","","","","","1.025","","","","has coordinates","272841","2022-02-07","22:54:28",""
"7129673","11.13","0.002","14.968","0.003","16.561","0.003","72.19","0.03","77.4","0.03","79.94","0.03","2546.1","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H76 Cl3 K N2 Si2 Sn2 -","- C42 H76 Cl3 K N2 Si2 Sn2 -","- C84 H152 Cl6 K2 N4 Si4 Sn4 -","2","1","","Hadlington, Terrance J.; Keil, Philip Maximilian","Accessing cationic tetrylene-nickel(0) systems featuring donor-acceptor E-Ni triple bonds (E = Ge, Sn)","Chemical Communications","2022","","","","","10.1039/D2CC00422D","","","0.71073","MoKα","","0.0766","0.0347","","","0.057","0.0631","","","","","","0.883","","","","has coordinates","272841","2022-02-07","22:54:29",""
"7129674","13.245","0.003","18.891","0.004","22.423","0.005","94.6","0.03","103.4","0.03","91.59","0.03","5434","2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H101 B F24 N Ni P3 Si Sn -","- C113 H101 B F24 N Ni P3 Si Sn -","- C226 H202 B2 F48 N2 Ni2 P6 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Keil, Philip Maximilian","Accessing cationic tetrylene-nickel(0) systems featuring donor-acceptor E-Ni triple bonds (E = Ge, Sn)","Chemical Communications","2022","","","","","10.1039/D2CC00422D","","","0.71073","MoKα","","0.2219","0.0957","","","0.2062","0.2688","","","","","","1.01","","","","has coordinates,has disorder","272841","2022-02-07","22:54:29",""
"7129675","11.5185","0.0004","12.592","0.0005","12.8943","0.0005","90","","91.928","0.001","90","","1869.14","0.12","116","2","116","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Li2 N2 Si2 -","- C40 H56 Li2 N2 Si2 -","- C80 H112 Li4 N4 Si4 -","2","0.5","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0509","0.0433","","","0.1221","0.1275","","","","","","1.011","","","","has coordinates","272842","2022-02-07","22:56:06",""
"7129676","17.261","0.002","8.5278","0.0011","16.84","0.002","90","","106.535","0.005","90","","2376.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H28 Br3 N Si2 -","- C20 H28 Br3 N Si2 -","- C80 H112 Br12 N4 Si8 -","4","1","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0234","0.0224","","","0.0529","0.0531","","","","","","1.033","","","","has coordinates","272842","2022-02-07","22:56:07",""
"7129677","18.4502","0.0016","8.4359","0.0007","27.821","0.002","90","","93.7","0.002","90","","4321.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Br2 N2 Si4 -","- C42 H60 Br2 N2 Si4 -","- C168 H240 Br8 N8 Si16 -","4","1","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0519","0.044","","","0.0954","0.0983","","","","","","1.227","","","","has coordinates","272842","2022-02-07","22:56:07",""
"7129678","12.7757","0.0005","13.7788","0.0005","21.0655","0.0008","104.348","0.001","103.675","0.001","100.735","0.001","3370.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C141 H192 Br2 N6 Si12 -","- C141 H192 Br2 N6 Si12 -","- C141 H192 Br2 N6 Si12 -","1","0.5","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0519","0.0444","","","0.1131","0.1168","","","","","","1.049","","","","has coordinates,has disorder","272842","2022-02-07","22:56:07",""
"7129679","43.017","0.0013","13.5024","0.0004","20.2693","0.0007","90","","117.158","0.002","90","","10475.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H78 Br N3 Si6 -","- C45 H78 Br N3 Si6 -","- C360 H624 Br8 N24 Si48 -","8","1","","Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.","Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation","Chemical Communications","2022","","","","","10.1039/D2CC00298A","","","0.71073","MoKα","","0.0785","0.0541","","","0.139","0.154","","","","","","1.042","","","","has coordinates","272842","2022-02-07","22:56:07",""
"7129680","11.7513","0.0003","13.5528","0.0003","19.9224","0.0005","90","","106.317","0.001","90","","3045.1","0.13","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cl2 N2 -","- C40 H28 Cl2 N2 -","- C160 H112 Cl8 N8 -","4","1","","Zhao, Yunbo; Jin, Lvnan; Guo, Jing; Stephan, Douglas W.","Catalytic hydroaminations of alkynes: A facile protocol to vinyl- carbazole derivatives via a frustrated Lewis pair mechanism","Chemical Communications","2022","","","","","10.1039/D1CC07171H","","","1.54178","CuKα","","0.0554","0.0413","","","0.1005","0.1106","","","","","","1.0376","","","","has coordinates","272843","2022-02-07","22:57:11",""
"7129681","16.9314","0.001","5.2194","0.0003","13.7603","0.0008","90","","105.149","0.006","90","","1173.76","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","","Liu, Ce; Shi, Wei-Yu; Ding, Ya-Nan; Zheng, Nian; Liang, Yong-Min","Palladium-Catalyzed Rearrangement Reaction to Access 1-Phenanthrol Derivatives","Chemical Communications","2022","","","","","10.1039/D2CC00392A","","x-ray","1.54184","CuKα","","0.0469","0.0398","","","0.1169","0.1244","","","","","","1.046","","","","has coordinates","272854","2022-02-08","22:52:32",""
"7129682","10.051","0.002","13.15","0.003","13.719","0.003","96.214","0.003","102.703","0.004","95.675","0.005","1744.3","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Keinan185b (Raman)","semithio-BU[6] chloride complex","","- C54 H86 Cl N27 O6 S6 -","- C54 H86 Cl N27 O6 S6 -","- C54 H86 Cl N27 O6 S6 -","1","0.5","","KHURANA, RAMAN; Yang, Feihu; Khurana, Rishu; Liu, Junqiu; Keinan, Ehud; Reany, Ofer","semiaza-‎Bambusurils are ‎Anion-Specific ‎Transmembrane Transporters ‎","Chemical Communications","2022","","","","","10.1039/D2CC00144F","","","0.71073","MoKα","","0.1049","0.0611","","","0.1672","0.1959","","","","","","1.029","","","","has coordinates,has disorder","272855","2022-02-08","22:52:50",""
"7129683","5.843","0.003","7.177","0.003","14.405","0.006","87.865","0.006","88.438","0.006","80.502","0.006","595.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H6 N14 O16 -","- C14 H6 N14 O16 -","- C14 H6 N14 O16 -","1","0.5","","Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M.","Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds","Chemical Communications","2022","","","","","10.1039/D2CC00215A","","","0.71073","MoKα","","0.0514","0.0438","","","0.1529","0.1661","","","","","","1.077","","","","has coordinates","272856","2022-02-08","22:53:53",""
"7129684","11.796","0.003","7.4634","0.0018","11.526","0.003","90","","96.659","0.004","90","","1007.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H0.8 N1.6 O1.4 -","- C H0.8 N1.6 O1.4 -","- C20 H16 N32 O28 -","20","5","","Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M.","Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds","Chemical Communications","2022","","","","","10.1039/D2CC00215A","","","0.71073","MoKα","","0.074","0.0463","","","0.1347","0.1603","","","","","","0.965","","","","has coordinates","272856","2022-02-08","22:53:54",""
"7129685","3.6502","0.0005","17.024","0.003","41.865","0.006","90","","92.467","0.004","90","","2599.1","0.7","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 N36 O29 -","- C26 H44 N36 O28 -","- C52 H88 N72 O56 -","2","0.5","","Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M.","Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds","Chemical Communications","2022","","","","","10.1039/D2CC00215A","","","0.71073","MoKα","","0.209","0.0969","","","0.2272","0.2758","","","","","","0.973","","","","has coordinates","272856","2022-02-08","22:53:54",""
"7129686","13.575","0.003","11.854","0.002","6.6963","0.0013","90","","98.79","0.03","90","","1064.9","0.4","163","2","163.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M.","Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds","Chemical Communications","2022","","","","","10.1039/D2CC00215A","","","0.71073","MoKα","","0.1085","0.0884","","","0.1737","0.1851","","","","","","1.144","","","","has coordinates","272856","2022-02-08","22:53:54",""
"7129687","5.0442","0.001","13.949","0.003","15.122","0.003","90","","92.06","0.03","90","","1063.3","0.4","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N16 O14 -","- C10 H12 N16 O14 -","- C20 H24 N32 O28 -","2","0.5","","Chen, Peng; Qiu, Lili; Yin, Ping; He, Chunlin; Pang, Siping; Shreeve, Jean’ne M.","Unraveling the reactivity of the azo bridge in 3,3′-(5-dinitromethyl-1,2,4-oxadiazolyl)-4,4′-azofurazanate in the synthesis of energetic compounds","Chemical Communications","2022","","","","","10.1039/D2CC00215A","","","0.71073","MoKα","","0.0669","0.0594","","","0.1384","0.143","","","","","","1.158","","","","has coordinates,has disorder","272856","2022-02-08","22:53:54",""
"7129688","6.549","0.003","12.882","0.005","10.906","0.005","90","","94.723","0.012","90","","917","0.7","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Krishna Chaitanya, Nandikolla; Sambasiva Rao, Y. N.; Choutipalli, Venkata Surya Kumar; Mainkar, Prathama S.; Subramanian, Venkatesan; Chandrasekhar, Srivari","Cascade Aryne Insertion/Vinylogous Aldol Reaction of Vinyl-substituted β-Keto/enol Carbonyls","Chemical Communications","2022","","","","","10.1039/D1CC06810E","","","0.71073","MoKα","","0.0812","0.0518","","","0.1239","0.1401","","","","","","1.031","","","","has coordinates","272857","2022-02-08","22:54:46",""
"7129689","8.4785","0.0004","9.2084","0.0004","10.5687","0.0005","95.956","0.002","104.157","0.002","100.451","0.002","777.25","0.06","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Krishna Chaitanya, Nandikolla; Sambasiva Rao, Y. N.; Choutipalli, Venkata Surya Kumar; Mainkar, Prathama S.; Subramanian, Venkatesan; Chandrasekhar, Srivari","Cascade Aryne Insertion/Vinylogous Aldol Reaction of Vinyl-substituted β-Keto/enol Carbonyls","Chemical Communications","2022","","","","","10.1039/D1CC06810E","","","0.71073","MoKα","","0.0992","0.0493","","","0.0952","0.1164","","","","","","1.039","","","","has coordinates","272857","2022-02-08","22:54:47",""
"7129690","56.364","0.003","20.1214","0.0012","51.165","0.003","90","","90","","90","","58027","6","175","2","175","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C28 H183 Cu8 K4 N28 Na7 Nb54 O184 -","- C28 Cu8 K4 N28 Na7 Nb54 O184 -","- C224 Cu64 K32 N224 Na56 Nb432 O1472 -","8","0.5","","Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants","Chemical Communications","2022","","","","","10.1039/D1CC06878D","","","0.71073","MoKα","","0.1201","0.08","","","0.2124","0.239","","","","","","1.06","","","","has coordinates,has disorder","272885","2022-02-09","22:54:01",""
"7129691","56.743","0.003","19.9065","0.001","55.091","0.002","90","","90","","90","","62228","5","175","2","175","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C32 H197 Cu11 K3 N32 Na4 Nb54 O184 -","- C32 Cu11 K3 N32 Na4 Nb54 O184 -","- C256 Cu88 K24 N256 Na32 Nb432 O1472 -","8","0.5","","Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants","Chemical Communications","2022","","","","","10.1039/D1CC06878D","","","0.71073","MoKα","","0.0761","0.0673","","","0.1851","0.1922","","","","","","1.021","","","","has coordinates,has disorder","272885","2022-02-09","22:54:02",""
"7129692","7.4296","0.0003","7.9065","0.0003","27.5593","0.0012","90","","90","","90","","1618.89","0.11","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Chen, Yanyu; Wang, Zhaobo; Zhao, Wutong; Sun, Shitao; Yang, Lu; Zhang, Junpeng; Zhang, Di; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang","Ag(I)/PPh3-Catalyzed Diastereoselective Syntheses of Spiro[indole-3,4'-piperidine] Derivatives via Cycloisomerizations of Tryptamine-Ynamides","Chemical Communications","2022","","","","","10.1039/D1CC07298F","","","1.54178","CuKα","","0.0251","0.0245","","","0.0619","0.0623","","","","","","1.096","","","","has coordinates","272886","2022-02-09","22:54:42",""
"7129693","7.359","0.0009","7.5748","0.0009","9.8836","0.001","75.019","0.009","79.707","0.009","78.279","0.01","516.46","0.11","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H3 F7 -","- C12 H3 F7 -","- C24 H6 F14 -","2","1","","Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo","Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes","Chemical Communications","2022","","","","","10.1039/D2CC00141A","","x-ray","0.71073","MoKα","","0.116","0.0504","","","0.1023","0.1472","","","","","","1.066","","","","has coordinates","272887","2022-02-09","22:55:48",""
"7129694","20.28","0.0005","11.8689","0.0003","17.7116","0.0004","90","","104.392","0.002","90","","4129.42","0.18","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48.96 F10 P Pd -","- C45 H49 F10 P Pd -","- C180 H196 F40 P4 Pd4 -","4","1","","Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo","Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes","Chemical Communications","2022","","","","","10.1039/D2CC00141A","","x-ray","0.71073","MoKα","","0.0837","0.0441","","","0.0775","0.0987","","","","","","1.045","","","","has coordinates,has disorder","272887","2022-02-09","22:55:50",""
"7129695","13.3244","0.0014","5.9453","0.0005","13.0908","0.0015","90","","108.653","0.013","90","","982.55","0.19","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C48 H16 F24 -","4","1","","Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo","Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes","Chemical Communications","2022","","","","","10.1039/D2CC00141A","","x-ray","0.71073","MoKα","","0.106","0.0581","","","0.1328","0.1862","","","","","","0.963","","","","has coordinates","272887","2022-02-09","22:55:50",""
"7129696","14.5626","0.0017","5.8525","0.0007","14.0383","0.0011","90","","93.599","0.01","90","","1194.1","0.2","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H4 F8 -","- C13 H4 F8 -","- C52 H16 F32 -","4","1","","Ponce-de-León, Jaime; Marcos-Ayuso, Guillermo; Casares, Juan A.; Espinet, Pablo","Pd/Cu bimetallic catalysis to access highly fluorinated biaryls from aryl halides and fluorinated arenes","Chemical Communications","2022","","","","","10.1039/D2CC00141A","","x-ray","0.71073","MoKα","","0.1408","0.0532","","","0.1182","0.1764","","","","","","1.03","","","","has coordinates,has disorder","272887","2022-02-09","22:55:50",""
"7129697","24.7386","0.0008","20.8849","0.0004","27.7039","0.0009","90","","109.539","0.004","90","","13489.3","0.7","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 O10 -","- C35 H50 O10 -","- C560 H800 O160 -","16","4","","Ozawa, Narito; Shivakumar, Kilingaru I.; Murugavel, Muthuchamy; Inaba, Yuya; Yoneda, Tomoki; Ide, Yuki; Pirillo, Jenny; Hijikata, Yuh; Inokuma, Yasuhide","Alkali metal ion binding using cyclic polyketones","Chemical Communications","2022","","","","","10.1039/D2CC00361A","","x-ray","0.71073","MoKα","","0.096","0.057","","","0.1227","0.1446","","","","","","1.042","","","","has coordinates","272888","2022-02-09","22:57:09",""
"7129698","21.2562","0.0007","11.176","0.0003","22.0433","0.0007","90","","113.739","0.004","90","","4793.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 Cl4 O12 -","- C44 H64 Cl4 O12 -","- C176 H256 Cl16 O48 -","4","1","","Ozawa, Narito; Shivakumar, Kilingaru I.; Murugavel, Muthuchamy; Inaba, Yuya; Yoneda, Tomoki; Ide, Yuki; Pirillo, Jenny; Hijikata, Yuh; Inokuma, Yasuhide","Alkali metal ion binding using cyclic polyketones","Chemical Communications","2022","","","","","10.1039/D2CC00361A","","x-ray","0.71073","MoKα","","0.0562","0.0474","","","0.1243","0.1294","","","","","","1.018","","","","has coordinates","272888","2022-02-09","22:57:10",""
"7129699","14.3354","0.0003","15.523","0.0004","16.9525","0.0004","107.967","0.002","106.917","0.002","102.643","0.002","3229.71","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C64.82 H74.65 B Cl4.53 K N2.82 O10 -","- C64.824 H74.648 B Cl4.528 K N2.824 O10 -","- C129.648 H149.296 B2 Cl9.056 K2 N5.648 O20 -","2","1","","Ozawa, Narito; Shivakumar, Kilingaru I.; Murugavel, Muthuchamy; Inaba, Yuya; Yoneda, Tomoki; Ide, Yuki; Pirillo, Jenny; Hijikata, Yuh; Inokuma, Yasuhide","Alkali metal ion binding using cyclic polyketones","Chemical Communications","2022","","","","","10.1039/D2CC00361A","","x-ray","0.71073","MoKα","","0.0753","0.0564","","","0.1429","0.1534","","","","","","1.046","","","","has coordinates,has disorder","272888","2022-02-09","22:57:10",""
"7129700","16.6463","0.0003","25.7355","0.0005","28.7503","0.0006","90","","90","","90","","12316.7","0.4","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C72 H144 Co2 Ge17 K4 N8 Ni O24 -","- C72 H144 Co2 Ge17 K4 N8 Ni O24 -","- C288 H576 Co8 Ge68 K16 N32 Ni4 O96 -","4","0.5","","Xu, Hong-Lei; Qiao, Lei; Sun, Zhong-Ming","[Co2@(Ge17Ni)]4−: The First Edge-Sharing Double-Cage Endohedral Germanide","Chemical Communications","2022","","","","","10.1039/D1CC06038D","","x-ray","1.54184","CuKα","","0.1038","0.0771","","","0.2221","0.2433","","","","","","1.088","","","","has coordinates,has disorder","272890","2022-02-09","22:57:55",""
"7129701","12.501","0.006","21.209","0.009","13.563","0.006","90","","98.118","0.014","90","","3560","3","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 -","- C50 H32 N2 -","- C200 H128 N8 -","4","1","","Wang, Danfeng; Huang, Hai; Zhu, Xiaolin","Development of Anthrazoline Photocatalyst for Promoting Amination and Amidation Reactions","Chemical Communications","2022","","","","","10.1039/D1CC07315J","","","0.71073","MoKα","","0.0596","0.0452","","","0.1167","0.125","","","","","","1.026","","","","has coordinates","272891","2022-02-09","22:58:19",""
"7129702","5.7936","0.0002","9.1414","0.0003","10.1254","0.0003","106.962","0.002","92.401","0.002","105.495","0.002","490.09","0.03","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C22 H26 N2 O4 -","2","1","","Gorobets, Evgueni; Papatzimas, James W.; Dourado, Jorge; Yousefalizadeh, Goonay; Lee, JinGyu; Brownsey, Duncan K.; Stamplecoskie, Kevin; Davis, Rebecca; Derksen, Darren J.","A vinylogous Norrish reaction as a strategy for light-mediated ring expansion.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00513a","","","0.71073","MoKα","","0.0487","0.0359","","","0.0835","0.0909","","","","","","1.041","","","","has coordinates","272932","2022-02-11","22:53:48",""
"7129703","5.3474","0.0003","10.8303","0.0007","13.5741","0.0008","95.958","0.005","90.704","0.004","98.055","0.004","773.88","0.08","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Gorobets, Evgueni; Papatzimas, James W.; Dourado, Jorge; Yousefalizadeh, Goonay; Lee, JinGyu; Brownsey, Duncan K.; Stamplecoskie, Kevin; Davis, Rebecca; Derksen, Darren J.","A vinylogous Norrish reaction as a strategy for light-mediated ring expansion.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00513a","","","1.54178","CuKα","","0.1772","0.0879","","","0.1897","0.2454","","","","","","1.004","","","","has coordinates","272932","2022-02-11","22:53:49",""
"7129704","11.4955","0.0004","25.9298","0.0008","10.7081","0.0003","90","","113.251","0.001","90","","2932.6","0.16","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 Ag B F18 Fe N6 O5 -","- C20 H4 Ag B F18 Fe N6 O5 -","- C80 H16 Ag4 B4 F72 Fe4 N24 O20 -","4","1","","Wang, Guocang; Noonikara Poyil, Anurag; Fernandez, Israel; Dias, Rasika","Iron pentacarbonyl ligands on silver scorpionates","Chemical Communications","2022","","","","","10.1039/D1CC06859H","","","0.71073","MoKα","","0.0297","0.0277","","","0.068","0.0692","","","","","","1.0602","","","","has coordinates","272933","2022-02-11","22:54:27",""
"7129705","12.8813","0.0002","14.7875","0.0001","19.01","0.0002","91.204","0.001","99.318","0.001","106.035","0.001","3426","0.07","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C108.25 H60.25 Cl0.75 -","- C108.25 H60.25 Cl0.75 -","- C216.5 H120.5 Cl1.5 -","2","1","","Kinoshita, Tomokazu; Fujise, Kei; Tsurumaki, Eiji; Toyota, Shinji; Fukuhara, Gaku","Pressure-induced ratiometric signalling chemosensor. A case of helical anthracenes","Chemical Communications","2022","","","","","10.1039/D2CC00428C","","x-ray","1.54184","CuKα","","0.0588","0.0542","","","0.138","0.1414","","","","","","1.04","","","","has coordinates","272934","2022-02-11","22:54:48",""
"7129706","12.716","0.002","12.716","0.002","22.693","0.004","90","","90","","120","","3177.8","0.9","130","","130","","","","","","","","","5","P 65","P 65","170","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C132 H144 Br6 N6 O6 -","6","1","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","0.71073","MoKα","","0.0872","0.0531","","","0.1132","0.1247","","","","","","1.046","","","","has coordinates","272945","2022-02-12","22:53:45",""
"7129707","6.0632","0.0001","31.1441","0.0006","11.832","0.0002","90","","103.573","0.001","90","","2171.87","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H21 N -","- C17 H21 N -","- C102 H126 N6 -","6","3","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","1.54178","CuKα","","0.0371","0.0348","","","0.0892","0.0915","","","","","","1.04","","","","has coordinates","272945","2022-02-12","22:53:46",""
"7129708","12.7423","0.0015","12.7423","0.0015","22.89","0.004","90","","90","","120","","3218.6","0.8","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C132 H144 Br6 N6 O6 -","6","1","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","0.71073","MoKα","","0.1108","0.0701","","","0.184","0.2033","","","","","","1.029","","","","has coordinates","272945","2022-02-12","22:53:47",""
"7129709","7.694","0.0011","9.3007","0.0014","9.6264","0.0013","112.726","0.005","100.067","0.005","90.297","0.006","623.59","0.16","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F2 N2 O3 -","- C12 H12 F2 N2 O3 -","- C24 H24 F4 N4 O6 -","2","1","","Wang, Fei; Fu , Rui; Chen, Jie; Rong, Jiaxin; Wang, Enfu; Zhang, Jian; Zhang, Zhengyu; Jiang, Yaojia","Metal-Free Synthesis of gem-Difluorinated Heterocycles from Enaminones and Difluorocarbene Precursors","Chemical Communications","2022","","","","","10.1039/D2CC00383J","","","0.71073","MoKα","","0.1892","0.166","","","0.4397","0.4786","","","","","","2.159","","","","has coordinates","272949","2022-02-14","22:54:01",""
"7129710","15.4417","0.0009","5.8159","0.0003","16.2351","0.0008","90","","97.864","0.007","90","","1444.32","0.14","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Fe N2 -","- C19 H14 Fe N2 -","- C76 H56 Fe4 N8 -","4","1","","Ishimoto, Misato; Sakamaki, Daisuke; Fujiwara, Hideki","A dicyanomethyl radical stabilized by ferrocene: a new building block for radical-based dynamic covalent chemistry with redox activity","Chemical Communications","2022","","","","","10.1039/D1CC07253F","","","0.71075","MoKα","","0.0405","0.0323","","","0.0762","0.0797","","","","","","1.051","","","","has coordinates","272950","2022-02-14","22:54:34",""
"7129711","17.371","0.002","10.1537","0.0016","8.4136","0.0015","90","","103.231","0.007","90","","1444.6","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Fe2 N4 -","- C38 H26 Fe2 N4 -","- C76 H52 Fe4 N8 -","2","0.5","","Ishimoto, Misato; Sakamaki, Daisuke; Fujiwara, Hideki","A dicyanomethyl radical stabilized by ferrocene: a new building block for radical-based dynamic covalent chemistry with redox activity","Chemical Communications","2022","","","","","10.1039/D1CC07253F","","","0.71075","MoKα","","","0.1597","","","","0.1469","","","","","","1.237","","","","has coordinates","272950","2022-02-14","22:54:34",""
"7129712","17.5253","0.0016","34.487","0.003","25.961","0.002","90","","106.588","0.0013","90","","15038","2","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C143 H130 B3 Cl14 Cu3 F32 N8 Pt4 -","- C143 H130 B3 Cl14 Cu3 F32 N8 Pt4 -","- C572 H520 B12 Cl56 Cu12 F128 N32 Pt16 -","4","1","","Horiuchi, Shinnosuke; Hiroiwa, Hirotaka; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke","An Asymmetric Pt Diimine Acetylide Complex Providing Unique Luminescent Multinuclear Sandwich Complexes with Cu Salts","Chemical Communications","2022","","","","","10.1039/D1CC07108D","","","0.71075","MoKα","","0.0665","0.0504","","","0.1248","0.1513","","","","","","1.074","","","","has coordinates,has disorder","272973","2022-02-15","22:52:55",""
"7129713","11.834","0.004","11.079","0.003","27.47","0.008","90","","93.292","0.006","90","","3595.6","1.9","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H62 Br4 Cl4 Cu4 F10 N4 Pt2 -","- C70 H62 Br4 Cl4 Cu4 F10 N4 Pt2 -","- C140 H124 Br8 Cl8 Cu8 F20 N8 Pt4 -","2","0.5","","Horiuchi, Shinnosuke; Hiroiwa, Hirotaka; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke","An Asymmetric Pt Diimine Acetylide Complex Providing Unique Luminescent Multinuclear Sandwich Complexes with Cu Salts","Chemical Communications","2022","","","","","10.1039/D1CC07108D","","","0.71075","MoKα","","0.0673","0.0556","","","0.1284","0.1393","","","","","","1.163","","","","has coordinates","272973","2022-02-15","22:52:56",""
"7129714","9.7707","0.0001","9.8704","0.0001","19.0616","0.0002","90","","98.18","0.001","90","","1819.61","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl3 N O6 S -","- C39 H32 Cl3 N O6 S -","- C78 H64 Cl6 N2 O12 S2 -","2","1","","Zhang , Jia-Lu; Ma, Rui; Zhao, Huan-Huan; Xu, Peng-Fei","Enantioselective Construction of Spiro-Tetrahydroquinoline Scaffolds through Asymmetric Catalytic Cascade Reactions","Chemical Communications","2022","","","","","10.1039/D2CC00502F","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1029","0.1057","","","","","","1.061","","","","has coordinates","272974","2022-02-15","22:53:22",""
"7129715","13.6019","0.0006","16.1146","0.0007","9.4624","0.0004","90","","91.538","0.004","90","","2073.31","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O6 -","- C23 H24 N2 O6 -","- C92 H96 N8 O24 -","4","1","","Li, Yutang; Strand, Daniel; Grimme, Stefan; Jónsson, Stefán; Wärnmark, Kenneth","The long-awaited synthesis and self-assembly of a small rigid C3 symmetric trilactam","Chemical Communications","2022","","","","","10.1039/D2CC00345G","","","0.71073","MoKα","","0.0912","0.0526","","","0.1029","0.1233","","","","","","1.051","","","","has coordinates,has disorder","272975","2022-02-15","22:54:03",""
"7129716","10.2416","0.0018","9.0837","0.0012","10.5564","0.0016","90","","117.25","0.02","90","","873.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2aS,4aS,6aS)-hexahydro-1,3,5-triazacyclopenta[cd]pentalene-2,4,6(1H)-trione","","- C16 H17 N7 O6 -","- C16 H17 N7 O6 -","- C32 H34 N14 O12 -","2","1","","Li, Yutang; Strand, Daniel; Grimme, Stefan; Jónsson, Stefán; Wärnmark, Kenneth","The long-awaited synthesis and self-assembly of a small rigid C3 symmetric trilactam","Chemical Communications","2022","","","","","10.1039/D2CC00345G","","","0.71073","MoKα","","0.1246","0.0785","","","0.2775","0.2944","","","","","","1.1","","","","has coordinates","272975","2022-02-15","22:54:03",""
"7129717","7.2905","0.0007","11.3194","0.0009","9.0781","0.001","90","","111.738","0.012","90","","695.89","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2aS*,4aS*,6aS*)-hexahydro-1,3,5-triazacyclopenta[cd]pentalene-2,4,6(1H)-trione","","- C7 H4 D3 N3 O3 -","- C7 H4 D3 N3 O3 -","- C28 H16 D12 N12 O12 -","4","1","","Li, Yutang; Strand, Daniel; Grimme, Stefan; Jónsson, Stefán; Wärnmark, Kenneth","The long-awaited synthesis and self-assembly of a small rigid C3 symmetric trilactam","Chemical Communications","2022","","","","","10.1039/D2CC00345G","","","0.71073","MoKα","","0.0713","0.0518","","","0.1077","0.1184","","","","","","1.054","","","","has coordinates","272975","2022-02-15","22:54:04",""
"7129718","23.8979","0.0005","13.1994","0.0003","7.8514","0.0002","90","","90","","90","","2476.63","0.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C2 H15 I4 Mo2 N6 O19 -","- C2 H16 I4 Mo2 N6 O19 -","- C8 H64 I16 Mo8 N24 O76 -","4","1","","Zeng, Wei; Dong, Xuehua; Tian, Yao; Huang, Ling; Zeng, Hongmei; Lin, Zhien; Zou, Guohong","Unprecedented boat-shaped [Mo2O5(IO3)4]2- polyanions induced strong second harmonic generation response","Chemical Communications","2022","","","","","10.1039/D2CC00134A","","x-ray","0.71073","MoKα","","0.0376","0.0314","","","0.0882","0.0911","","","","","","1.083","","","","has coordinates","272976","2022-02-15","22:54:40",""
"7129719","25.6472","0.0006","16.1411","0.0004","13.7447","0.0003","90","","104.289","0.003","90","","5513.9","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Cu N2 O6 -","- C32 H30 Cu N2 O6 -","- C256 H240 Cu8 N16 O48 -","8","1","","Reichle, Alexander; Sterzel, Hannes; Kreitmeier, Peter; Fayad, Remi; Castellano, Felix N.; Rehbein, Julia; Reiser, Oliver","Copper(II)-photocatalyzed decarboxylative oxygenation of carboxylic acids.","Chemical communications (Cambridge, England)","2022","58","28","4456","4459","10.1039/d2cc00570k","","x-ray","1.54184","CuKα","","0.0506","0.038","","","0.0974","0.1061","","","","","","1.018","","","","has coordinates","274956","2022-05-05","20:22:33",""
"7129720","16.06989","0.00007","7.09422","0.00003","26.4293","0.00011","90","","90.3024","0.0004","90","","3012.99","0.02","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C144 H112 Cl8 N8 O24 -","8","2","","Reichle, Alexander; Sterzel, Hannes; Kreitmeier, Peter; Fayad, Remi; Castellano, Felix N.; Rehbein, Julia; Reiser, Oliver","Copper(II)-photocatalyzed decarboxylative oxygenation of carboxylic acids.","Chemical communications (Cambridge, England)","2022","58","28","4456","4459","10.1039/d2cc00570k","","x-ray","1.54184","CuKα","","0.0297","0.0286","","","0.0782","0.079","","","","","","1.048","","","","has coordinates","274956","2022-05-05","20:22:33",""
"7129721","13.7617","0.0009","8.105","0.0004","19.5997","0.0012","90","","91.551","0.006","90","","2185.3","0.2","122.97","0.1","122.97","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C120 H80 O24 -","8","1","","Reichle, Alexander; Sterzel, Hannes; Kreitmeier, Peter; Fayad, Remi; Castellano, Felix N.; Rehbein, Julia; Reiser, Oliver","Copper(II)-photocatalyzed decarboxylative oxygenation of carboxylic acids.","Chemical communications (Cambridge, England)","2022","58","28","4456","4459","10.1039/d2cc00570k","","x-ray","1.54184","CuKα","","0.0568","0.0525","","","0.1311","0.1339","","","","","","1.046","","","","has coordinates","274956","2022-05-05","20:22:33",""
"7129722","9.8246","0.0002","13.603","0.0003","14.5457","0.0001","83.192","0.002","85.269","0.001","88.081","0.002","1923.11","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cu N O6 -","- C20 H21 Cu N O6 -","- C80 H84 Cu4 N4 O24 -","4","2","","Reichle, Alexander; Sterzel, Hannes; Kreitmeier, Peter; Fayad, Remi; Castellano, Felix N.; Rehbein, Julia; Reiser, Oliver","Copper(II)-photocatalyzed decarboxylative oxygenation of carboxylic acids.","Chemical communications (Cambridge, England)","2022","58","28","4456","4459","10.1039/d2cc00570k","","x-ray","1.54184","CuKα","","0.0676","0.0536","","","0.1461","0.1544","","","","","","1.126","","","","has coordinates","274956","2022-05-05","20:22:33",""
"7129723","11.76191","0.00004","13.60474","0.00005","16.49635","0.00006","90","","90","","90","","2639.71","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl4 N O3 -","- C28 H23 Cl4 N O3 -","- C112 H92 Cl16 N4 O12 -","4","1","","Cheng, Xiang; Shen, Chong; Dong, Xiu-Qin; Wang, Chun-Jiang","Iridium-catalyzed asymmetric double allylic alkylation of azlactone: efficient access to chiral α-amino acid derivatives","Chemical Communications","2022","","","","","10.1039/D2CC00328G","","x-ray","1.54184","CuKα","","0.0193","0.0193","","","0.0514","0.0514","","","","","","1.032","","","","has coordinates","273007","2022-02-17","22:54:28",""
"7129724","7.261","0.0002","16.8304","0.0006","18.689","0.0006","90","","90","","90","","2283.9","0.13","150","","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 B N O6 S -","- C21 H32 B N O6 S -","- C84 H128 B4 N4 O24 S4 -","4","1","","Xu, Ming; Ouyang, Yizhao; Wang, Linghua; Zhang, Shuai; Li, Pengfei","Enantioselective synthesis of cyclic α-aminoboronates via copper-catalyzed dearomative borylation of 4-quinolinols","Chemical Communications","2022","","","","","10.1039/D2CC00027J","","","1.54178","CuKα","","0.0239","0.0236","","","0.0595","0.0596","","","","","","1.048","","","","has coordinates","273008","2022-02-17","22:54:53",""
"7129725","31.5584","0.0014","12.5876","0.0006","25.8302","0.0011","90","","109.384","0.003","90","","9679.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H136 Li2 N4 O14 -","- C108 H120 Li2 N4 O12 -","- C432 H480 Li8 N16 O48 -","4","1","","Zhou, Zheng; Zhu, Yikun; Wei, Zheng; Bergner, John; Neiß, Christian; Doloczki, Susanne; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Reversible structural rearrangement of π-expanded cyclooctatetraene upon two-fold reduction with alkali metals","Chemical Communications","2022","","","","","10.1039/D2CC00218C","","","1.54178","CuKα","","0.2693","0.1525","","","0.3249","0.3945","","","","","","1.029","","","","has coordinates,has disorder","273009","2022-02-17","22:55:50",""
"7129726","13.197","0.003","57.995","0.011","15.63","0.003","90","","110.696","0.002","90","","11191","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H152 Na2 O19 -","- C112 H128 Na2 O16 -","- C448 H512 Na8 O64 -","4","2","","Zhou, Zheng; Zhu, Yikun; Wei, Zheng; Bergner, John; Neiß, Christian; Doloczki, Susanne; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Reversible structural rearrangement of π-expanded cyclooctatetraene upon two-fold reduction with alkali metals","Chemical Communications","2022","","","","","10.1039/D2CC00218C","","","0.71073","MoKα","","0.1749","0.0764","","","0.1473","0.1802","","","","","","0.995","","","","has coordinates,has disorder","273009","2022-02-17","22:55:50",""
"7129727","27.1854","0.0002","27.3854","0.0003","49.0741","0.0003","90.1985","0.0006","105.112","0.0006","118.445","0.0009","30660.7","0.5","150.02","0.16","150.02","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C64 H24 Cl2 F48 O3 Te4 -","- C64 H24 Cl2 F48 O3 Te4 -","- C1024 H384 Cl32 F768 O48 Te64 -","16","8","","Docker, Andrew; Martínez Martínez, Antonio J.; Kuhn, Heike; Beer, Paul D.","Organotelluroxane molecular clusters assembled via Te⋯X− (X = Cl−, Br−) chalcogen bonding anion template interactions","Chemical Communications","2022","","","","","10.1039/D2CC00320A","","x-ray","1.54184","CuKα","","0.1503","0.1128","","","0.3156","0.3473","","","","","","1.188","","","","has coordinates,has disorder","273031","2022-02-18","22:54:37",""
"7129728","15.7578","0.0007","16.3981","0.0005","22.2474","0.0008","90","","109.503","0.004","90","","5418.8","0.4","120.15","","120.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H67 Si -","- C72 H67 Si -","- C288 H268 Si4 -","4","1","","Nishiuchi, Tomohiko; Ishii, Daisuke; Aibara, Seito; Sato, Hiroyasu; Kubo, Takashi","Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical","Chemical Communications","2022","","","","","10.1039/D2CC00548D","","x-ray","0.71073","MoKα","","0.1269","0.0644","","","0.1565","0.1832","","","","","","1.037","","","","has coordinates","273032","2022-02-18","22:55:23",""
"7129729","12.136","0.001","15.641","0.0011","16.9992","0.0013","70.519","0.007","69.212","0.007","83.824","0.006","2843.8","0.4","99","3","99","3","","","","","","","","3","P -1","-P 1","2","","","","- C132 H110 Si2 -","- C132 H110 Si2 -","- C132 H110 Si2 -","1","0.5","","Nishiuchi, Tomohiko; Ishii, Daisuke; Aibara, Seito; Sato, Hiroyasu; Kubo, Takashi","Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical","Chemical Communications","2022","","","","","10.1039/D2CC00548D","","x-ray","1.54184","CuKα","","0.2035","0.0877","","","0.1929","0.2489","","","","","","0.925","","","","has coordinates","273032","2022-02-18","22:55:23",""
"7129730","15.4442","0.0006","16.8575","0.0005","17.7961","0.0004","63.34","0.003","70.016","0.003","86.686","0.003","3866.1","0.3","120.15","","120.15","","","","","","","","","2","P -1","-P 1","2","","","","- C91 H67 -","- C91 H67 -","- C182 H134 -","2","1","","Nishiuchi, Tomohiko; Ishii, Daisuke; Aibara, Seito; Sato, Hiroyasu; Kubo, Takashi","Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical","Chemical Communications","2022","","","","","10.1039/D2CC00548D","","x-ray","0.71073","MoKα","","0.0909","0.0633","","","0.1711","0.1855","","","","","","0.981","","","","has coordinates","273032","2022-02-18","22:55:24",""
"7129731","10.3657","0.0005","15.3471","0.0007","16.1581","0.0007","67.2448","0.0013","84.8064","0.0016","76.0021","0.0016","2300.01","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H70 B18 N7 Na O4 -","- C26 H70 B18 N7 Na O4 -","- C52 H140 B36 N14 Na2 O8 -","2","1","","Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.","New approaches to functionalization of the 1-carba-closo-decaborate anion","Chemical Communications","2022","","","","","10.1039/D1CC06395B","","","0.71073","MoKα","","0.0676","0.0523","","","0.12","0.1266","","","","","","1.075","","","","has coordinates,has disorder","273033","2022-02-18","22:56:27",""
"7129732","7.29","0.0004","7.6626","0.0005","11.0968","0.0007","90","","105.101","0.002","90","","598.47","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H17 B9 O2 -","- C5 H17 B9 O2 -","- C10 H34 B18 O4 -","2","1","","Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.","New approaches to functionalization of the 1-carba-closo-decaborate anion","Chemical Communications","2022","","","","","10.1039/D1CC06395B","","","0.71073","MoKα","","0.0398","0.0373","","","0.0906","0.0931","","","","","","1.038","","","","has coordinates","273033","2022-02-18","22:56:27",""
"7129733","10.8097","0.0016","10.6297","0.0015","12.5882","0.0015","90","","112.664","0.005","90","","1334.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B9 N -","- C8 H18 B9 N -","- C32 H72 B36 N4 -","4","1","","Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.","New approaches to functionalization of the 1-carba-closo-decaborate anion","Chemical Communications","2022","","","","","10.1039/D1CC06395B","","","0.71073","MoKα","","0.1016","0.0734","","","0.1377","0.1501","","","","","","1.103","","","","has coordinates","273033","2022-02-18","22:56:27",""
"7129734","9.8223","0.0007","16.3903","0.0012","18.7512","0.0012","90","","92.539","0.0019","90","","3015.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 B9 N2 -","- C25 H51 B9 N2 -","- C100 H204 B36 N8 -","4","1","","Shmalko, Akim; Cendoya, Paula; Anufriev, Sergey A.; Suponitsky, Kyrill; Gabel, Detlef; Sivaev, Igor B.","New approaches to functionalization of the 1-carba-closo-decaborate anion","Chemical Communications","2022","","","","","10.1039/D1CC06395B","","","0.71073","MoKα","","0.1067","0.0642","","","0.1456","0.1654","","","","","","1.022","","","","has coordinates","273033","2022-02-18","22:56:27",""
"7129735","9.2952","0.0003","15.1908","0.0006","21.6017","0.0008","90","","90","","90","","3050.19","0.19","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","1","","Mao, Ben; Zhang, Xiao-Yu; Wei, Yin; Shi, Min","Visible-light mediated intramolecular radical cyclizations of α-brominated amide-tethered alkylidenecyclopropanes","Chemical Communications","2022","","","","","10.1039/D1CC07136J","","","0.71073","MoKα","","0.0447","0.037","","","0.0909","0.097","","","","","","1.027","","","","has coordinates","273042","2022-02-19","22:53:28",""
"7129736","11.8389","0.0005","12.9075","0.0005","15.5565","0.0007","111.925","0.004","93.798","0.004","96.861","0.003","2173.56","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H60 N6 O0.17 S0.83 -","- C55 H60 N6 O0.171 S0.829 -","- C110 H120 N12 O0.342 S1.658 -","2","1","","Takase, Masayoshi; Ueno, Atsushi; Oki, Kosuke; Matsumoto, Hiroki; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Tropo(thio)ne-embedded homoHPHACs: does the tropylium cation induce global antiaromaticity in expanded hexapyrrolohexaazacoronene?","Chemical Communications","2022","","","","","10.1039/D1CC07152A","","","0.71073","MoKα","","0.1136","0.0649","","","0.1489","0.1716","","","","","","1.026","","","","has coordinates,has disorder","273067","2022-02-21","22:54:11",""
"7129737","10.7101","0.0002","14.4283","0.0003","16.8559","0.0005","67.98","0.002","82.08","0.002","77.404","0.0019","2352.07","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Cl3 N6 O -","- C56 H61 Cl3 N6 O -","- C112 H122 Cl6 N12 O2 -","2","1","","Takase, Masayoshi; Ueno, Atsushi; Oki, Kosuke; Matsumoto, Hiroki; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Tropo(thio)ne-embedded homoHPHACs: does the tropylium cation induce global antiaromaticity in expanded hexapyrrolohexaazacoronene?","Chemical Communications","2022","","","","","10.1039/D1CC07152A","","","0.71073","MoKα","","0.0586","0.0458","","","0.1089","0.1163","","","","","","1.027","","","","has coordinates,has disorder","273067","2022-02-21","22:54:12",""
"7129738","9.05536","0.00018","26.9319","0.0006","24.0347","0.0005","90","","90.1939","0.0019","90","","5861.5","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H60 I8 N6 O -","- C55 H60 I8 N6 O -","- C220 H240 I32 N24 O4 -","4","1","","Takase, Masayoshi; Ueno, Atsushi; Oki, Kosuke; Matsumoto, Hiroki; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Tropo(thio)ne-embedded homoHPHACs: does the tropylium cation induce global antiaromaticity in expanded hexapyrrolohexaazacoronene?","Chemical Communications","2022","","","","","10.1039/D1CC07152A","","","0.71073","MoKα","","0.0627","0.0443","","","0.0896","0.0975","","","","","","1.012","","","","has coordinates,has disorder","273067","2022-02-21","22:54:12",""
"7129739","23.0243","0.0003","23.0243","0.0003","9.2169","0.0001","90","","90","","90","","4886.05","0.1","120","2","120","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H24 Cr N3 -","- C33 H24 Cr N3 -","- C264 H192 Cr8 N24 -","8","1","","Stein, Laura; Boden, Pit; Naumann, Robert; Förster, Christoph; Niedner-Schatteburg, Gereon; Heinze, Katja","The overlooked NIR luminescence of Cr(ppy)3","Chemical Communications","2022","","","","","10.1039/D2CC00680D","","","0.71073","MoKα","","0.03","0.0263","","","0.0647","0.0652","","","","","","1.009","","","","has coordinates","273068","2022-02-21","22:54:58",""
"7129740","10.683","0.005","32.548","0.015","8.787","0.004","90","","92.383","0.007","90","","3053","2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","2","","Huang, Liangfeng; Zheng, Lei; Zhou, Zhongzhen; Chen, Yunfeng","Copper-catalyzed multiple oxidation and cycloaddition of aryl–alkyl ketones (alcohols) for the synthesis of 4-acyl- and 4-diketo-1,2,3-triazoles","Chemical Communications","2022","","","","","10.1039/D1CC06477K","","","0.71073","MoKα","","0.36","0.0972","","","0.1795","0.2722","","","","","","0.917","","","","has coordinates","273069","2022-02-21","22:55:24",""
"7129741","17.1732","0.001","13.6458","0.0006","19.7945","0.0011","90","","95.133","0.005","90","","4620.1","0.4","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Au B Cl P -","- C24 H28 Au B Cl P -","- C192 H224 Au8 B8 Cl8 P8 -","8","2","","Krämer, Felix; Radius, Michael; Berberich, Helga; Fernández, Israel; Breher, Frank","A neutral, acyclic, borataalkene-like ligand for group 11 metals: L- and Z-type ligands side by side.","Chemical communications (Cambridge, England)","2022","58","24","3905","3908","10.1039/d2cc00199c","","","0.71073","MoKα","","0.066","0.0528","","","0.1447","0.1548","","","","","","1.028","","","","has coordinates","274958","2022-05-05","20:23:11",""
"7129742","8.1351","0.0004","10.7687","0.0006","20.8228","0.0011","90","","90","","90","","1824.17","0.17","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","DK_HD_1939","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Raziullah,; Kumar, Mohit; Ahmad, Ashfaq; Dutta, Himangsu Sekhar; Rastogi, Anushka; Gangwar, Manoj Kumar; Koley, Dipankar","Ru-Catalyzed C–H alkenylation on the arene ring of pirfenidone using pyridone as a directing group","Chemical Communications","2022","","","","","10.1039/D2CC00257D","","x-ray","0.71073","MoKα","","0.0439","0.0395","","","0.088","0.0916","","","","","","1.0493","","","","has coordinates","273111","2022-02-22","22:53:55",""
"7129743","13.439","0.0016","28.091","0.004","9.4068","0.001","90","","90","","90","","3551.2","0.8","120","2","120","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C28 H26 Cu2 I2 N5 -","- C28 H25 Cu2 I2 N5 -","- C112 H100 Cu8 I8 N20 -","4","0.25","","Zhong, Bingwen; Huang, Huilin; Jing, Xu; Duan, Chunying","Binuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation.","Chemical communications (Cambridge, England)","2022","58","24","3961","3964","10.1039/d2cc00547f","","","0.71073","MoKα","","0.0516","0.0458","","","0.1245","0.13","","","","","","1.058","","","","has coordinates,has disorder","274960","2022-05-05","20:23:32",""
"7129744","13.3961","0.0009","15.0316","0.0009","33.541","0.002","91.323","0.002","97.137","0.003","114.728","0.002","6066","0.7","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H87 Cu6 I6 N13 O2 -","- C98 H87 Cu6 I6 N13 O2 -","- C196 H174 Cu12 I12 N26 O4 -","2","1","","Zhong, Bingwen; Huang, Huilin; Jing, Xu; Duan, Chunying","Binuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation.","Chemical communications (Cambridge, England)","2022","58","24","3961","3964","10.1039/d2cc00547f","","","0.71073","MoKα","","0.1011","0.0627","","","0.1611","0.1778","","","","","","0.975","","","","has coordinates","274960","2022-05-05","20:23:33",""
"7129745","13.0101","0.0004","10.3606","0.0002","13.4292","0.0004","90","","118.414","0.004","90","","1592.09","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H24 B Cl2 F N2 O2 -","- C39 H24 B Cl2 F N2 O2 -","- C78 H48 B2 Cl4 F2 N4 O4 -","2","1","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0329","0.0318","","","0.0826","0.0836","","","","","","1.033","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129746","13.1863","0.0004","10.3824","0.0002","13.6545","0.0005","90","","118.391","0.005","90","","1644.53","0.11","301.13","0.11","301.13","0.11","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H24 B Cl2 F N2 O2 -","- C39 H24 B Cl2 F N2 O2 -","- C78 H48 B2 Cl4 F2 N4 O4 -","2","1","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0457","0.0396","","","0.1021","0.1063","","","","","","1.034","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129747","10.6816","0.0003","20.2007","0.0005","12.8842","0.0003","90","","104.368","0.002","90","","2693.14","0.12","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","P1","M1","","- C31 H19 B Cl3 F N2 O2 -","- C31 H19 B Cl3 F N2 O2 -","- C124 H76 B4 Cl12 F4 N8 O8 -","4","2","","Wang, Ling-Yun; Liu, Zheng Fei; Teng, Kun-Xu; Niu, Li-Ya; Yang, Qing-Zheng","Circularly Polarized Luminescence from Helical N,O-Boron-Chelated Dipyrromethenes (BODIPY) Derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06051A","","x-ray","1.54184","CuKα","","0.0363","0.0321","","","0.0768","0.0798","","","","","","1.07","","","","has coordinates","273113","2022-02-22","22:55:23",""
"7129748","21.9791","0.0005","21.9791","0.0005","16.7774","0.0005","90","","90","","120","","7019","0.3","120","","120","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.71073","MoKα","","0.0328","0.0298","","","0.0882","0.0907","","","","","","1.096","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129749","21.9827","0.0003","21.9827","0.0003","16.8317","0.0005","90","","90","","120","","7044","0.2","25","","20","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.0456","0.0427","","","0.1246","0.1278","","","","","","1.066","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129750","22.00424","0.00017","22.00424","0.00017","16.832","0.0002","90","","90","","120","","7057.96","0.11","80","","80","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.07","0.0609","","","0.1506","0.1544","","","","","","1.12","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129751","22.00424","0.00017","22.00424","0.00017","16.832","0.0002","90","","90","","120","","7057.96","0.11","100","","100","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.0688","0.0589","","","0.1495","0.1534","","","","","","1.128","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129752","22.00424","0.00017","22.00424","0.00017","16.832","0.0002","90","","90","","120","","7057.96","0.11","50","","50","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.0683","0.0543","","","0.144","0.1528","","","","","","1.074","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129753","22.0326","0.0002","22.0326","0.0002","17.1446","0.0003","90","","90","","120","","7207.58","0.16","300","","300","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.0809","0.0644","","","0.1769","0.1833","","","","","","1.167","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129754","22.0326","0.0002","22.0326","0.0002","17.1446","0.0003","90","","90","","120","","7207.58","0.16","200","","200","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C84 H96 Cu3 F18 N60 Si3 -","- C84 H96 Cu3 F18 N60 Si3 -","- C168 H192 Cu6 F36 N120 Si6 -","2","0.0833333","","Shen, Yongbing; Sugimoto, Kunihisa; Yamashita, Satoshi; Yoshida, Takefumi; Nakazawa, Yasuhiro; Breedlove, Brian. K.; Zhang, Haitao; Yamashita, Masahiro","Melamine-Induced Synthesis of a Structurally Perfect Kagomé Antiferromagnet","Chemical Communications","2022","","","","","10.1039/D2CC00416J","","x-ray","0.4132","synchrotron","","0.0703","0.057","","","0.1576","0.1625","","","","","","1.177","","","","has coordinates,has disorder","273114","2022-02-22","22:56:30",""
"7129755","14.4985","0.0005","15.0627","0.0005","11.9448","0.0004","90","","107.78","0.001","90","","2483.99","0.15","298.15","","298.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 B F2 N2 O6 P2 -","- C22 H27 B F2 N2 O6 P2 -","- C88 H108 B4 F8 N8 O24 P8 -","4","1","","Lv, Fan; Li, Heng; Wu, Qinghua; Guo, Xing; Zhang, Hongtao; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Silver-mediated, direct phosphorylation of BODIPY dyes at the 3- or 3,5-positions with H-phosphonates.","Chemical communications (Cambridge, England)","2022","58","24","3937","3940","10.1039/d2cc00297c","","","0.71073","MoKα","","0.0589","0.0511","","","0.1305","0.1404","","","","","","1.037","","","","has coordinates","274962","2022-05-05","20:23:53",""
"7129756","6.8356","0.0003","22.7724","0.0011","7.0408","0.0003","90","","101.861","0.005","90","","1072.59","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Zhu, Da-Liang; Jiang, Shan; Young, David James; Wu, Qi; Li, Hai-Yan; Li, Hong-Xi","Visible-light-driven C(sp2)–H arylation of phenols with arylbromides enabled by electron donor–acceptor excitation","Chemical Communications","2022","","","","","10.1039/D1CC07127K","","","1.54184","CuKα","","0.0814","0.0654","","","0.166","0.1879","","","","","","1.058","","","","has coordinates","273163","2022-02-25","22:52:34",""
"7129757","8.797","0.003","12.158","0.004","19.362","0.007","90","","90","","90","","2070.8","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N2 Ni O2 -","- C18 H22 Cl2 N2 Ni O2 -","- C72 H88 Cl8 N8 Ni4 O8 -","4","1","","Lombardi, Lorenzo; Cerveri, Alessandro; Ceccon, Leonardo; Pedrazzani, Riccardo; MONARI, MAGDA; Bertuzzi, Giulio; Bandini, Marco","Merging C-C -Bond Activation of Cyclobutanones with CO2 Fixation via Ni-Catalysis","Chemical Communications","2022","","","","","10.1039/D2CC00149G","","","0.71073","MoKα","","0.041","0.0379","","","0.0947","0.0968","","","","","","1.005","","","","has coordinates","273164","2022-02-25","22:53:00",""
"7129758","11.3021","0.0008","11.3449","0.0007","15.1031","0.001","89.431","0.005","68.393","0.007","64.454","0.007","1598.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O -","- C40 H38 N2 O -","- C80 H76 N4 O2 -","2","1","","Yu, Bangkui; Huang, Renbin; Li, Renren; Zhang, Haocheng; Huang, Hanmin","Silver-catalyzed chemodivergent assembly of aminomethylated isochromenes and naphthols.","Chemical communications (Cambridge, England)","2022","58","24","3969","3972","10.1039/d2cc00303a","","x-ray","0.71073","MoKα","","0.1091","0.0625","","","0.1284","0.1527","","","","","","1.052","","","","has coordinates","274961","2022-05-05","20:23:46",""
"7129759","12.1191","0.0004","12.6465","0.0004","12.9053","0.0004","96.455","0.003","115.408","0.003","109.434","0.003","1607.44","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O -","- C40 H38 N2 O -","- C80 H76 N4 O2 -","2","1","","Yu, Bangkui; Huang, Renbin; Li, Renren; Zhang, Haocheng; Huang, Hanmin","Silver-catalyzed chemodivergent assembly of aminomethylated isochromenes and naphthols.","Chemical communications (Cambridge, England)","2022","58","24","3969","3972","10.1039/d2cc00303a","","","1.54184","CuKα","","0.0956","0.0882","","","0.2846","0.296","","","","","","0.996","","","","has coordinates","274961","2022-05-05","20:23:46",""
"7129760","9.8246","0.0002","16.0677","0.0003","21.9664","0.0005","90","","91.832","0.002","90","","3465.82","0.12","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O -","- C44 H40 N2 O -","- C176 H160 N8 O4 -","4","1","","Yu, Bangkui; Huang, Renbin; Li, Renren; Zhang, Haocheng; Huang, Hanmin","Silver-catalyzed chemodivergent assembly of aminomethylated isochromenes and naphthols.","Chemical communications (Cambridge, England)","2022","58","24","3969","3972","10.1039/d2cc00303a","","x-ray","1.54184","CuKα","","0.0623","0.0474","","","0.119","0.1331","","","","","","1.0507","","","","has coordinates","274961","2022-05-05","20:23:46",""
"7129761","9.051","0.0005","13.7353","0.0008","10.1333","0.0005","90","","98.133","0.005","90","","1247.08","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C48 H48 Cl4 N4 O16 -","4","1","","Sebest, Filip; Radtanajiravong, Lalita; Kaukver, Siim; White, Andrew J. P.; Díez-González, Silvia","Expedient metal-free preparation of aryl aziridines via thermal cycloaddition reactions","Chemical Communications","2022","","","","","10.1039/D1CC07213G","","","0.71073","MoKα","","0.0315","0.0295","","","0.0711","0.0725","","","","","","1.081","","","","has coordinates","273179","2022-02-28","22:52:26",""
"7129762","9.4752","0.0002","13.0433","0.0004","14.6294","0.0004","90","","102.573","0.002","90","","1764.66","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Sadowski, Bartłomiej; Mierzwa, Dominik; Kang, Seongsoo; Grzybowski, Marek; Poronik, Yevgen M.; Sobolewski, Andrzej L.; Kim, Dongho; Gryko, Daniel T.","Tuning the aromatic backbone twist in dipyrrolonaphthyridinediones","Chemical Communications","2022","","","","","10.1039/D1CC06863F","","","1.54178","CuKα","","0.0794","0.0613","","","0.1695","0.1801","","","","","","1.1","","","","has coordinates","273180","2022-02-28","22:52:53",""
"7129763","19.167","0.002","14.1542","0.0017","39.176","0.005","90","","90","","90","","10628","2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H43 B N2 -","- C28 H43 B N2 -","- C448 H688 B16 N32 -","16","2","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0902","0.0644","","","0.1465","0.1612","","","","","","1.145","","","","has coordinates","273192","2022-03-01","22:56:58",""
"7129764","9.5036","0.0004","19.9724","0.0006","16.054","0.0006","90","","103.245","0.001","90","","2966.15","0.19","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B I2 N2 -","- C28 H41 B I2 N2 -","- C112 H164 B4 I8 N8 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0431","0.035","","","0.1352","0.151","","","","","","1.222","","","","has coordinates","273192","2022-03-01","22:56:59",""
"7129765","16.517","0.01","20.453","0.009","8.264","0.003","90","","90","","90","","2792","2","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H42 B Br N2 O2 -","- C28 H42 B Br N2 O2 -","- C112 H168 B4 Br4 N8 O8 -","4","0.5","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0795","0.0412","","","0.0855","0.1063","","","","","","1.071","","","","has coordinates","273192","2022-03-01","22:56:59",""
"7129766","18.736","0.003","8.3227","0.0019","18.866","0.003","90","","96.145","0.005","90","","2924.9","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 B N4 O6 -","- C28 H41 B N4 O6 -","- C112 H164 B4 N16 O24 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0875","0.0637","","","0.1651","0.182","","","","","","1.152","","","","has coordinates,has disorder","273192","2022-03-01","22:56:59",""
"7129767","30.7004","0.0015","13.6937","0.0005","18.6768","0.0008","90","","118.551","0.003","90","","6896.9","0.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H49 B I N2 -","- C35 H49 B I N2 -","- C280 H392 B8 I8 N16 -","8","1","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0409","0.0345","","","0.0929","0.1005","","","","","","1.124","","","","has coordinates","273192","2022-03-01","22:56:59",""
"7129768","9.601","0.006","9.604","0.006","18.081","0.011","97.88","0.02","90.02","0.02","108.16","0.03","1567.6","1.7","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H42 B F3 N2 O3 S -","- C29 H42 B F3 N2 O3 S -","- C58 H84 B2 F6 N4 O6 S2 -","2","1","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.1096","0.0579","","","0.1627","0.1912","","","","","","1.076","","","","has coordinates","273192","2022-03-01","22:57:00",""
"7129769","17.311","0.003","11.1748","0.0015","17.49","0.003","90","","96.691","0.007","90","","3360.3","0.9","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 B F6 N2 O6 S2 -","- C30 H41 B F6 N2 O6 S2 -","- C120 H164 B4 F24 N8 O24 S8 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.0537","0.0361","","","0.1029","0.1211","","","","","","1.129","","","","has coordinates","273192","2022-03-01","22:57:00",""
"7129770","12.325","0.003","20.525","0.005","10.92","0.003","90","","90","","90","","2762.4","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H40 B N2 O4 -","- C28 H40 B N2 O4 -","- C112 H160 B4 N8 O16 -","4","0.5","","Kundu, Gargi; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Tothadi, Srinu; Sen, Sakya S.","Substitution at sp3 boron of a six-membered NHC·BH3: convenient access to a dihydroxyborenium cation","Chemical Communications","2022","","","","","10.1039/D1CC06816D","","","0.71073","MoKα","","0.1463","0.0979","","","0.2878","0.3238","","","","","","1.11","","","","has coordinates","273192","2022-03-01","22:57:00",""
"7129771","21.2905","0.001","7.6279","0.0004","17.5124","0.0008","90","","90","","90","","2844","0.2","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H32 N2 S4 Zn -","- C30 H32 N2 S4 Zn -","- C120 H128 N8 S16 Zn4 -","4","0.5","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0742","0.0408","","","0.0821","0.0935","","","","","","1.022","","","","has coordinates","273209","2022-03-02","22:53:36",""
"7129772","7.1899","0.0007","8.1002","0.0008","44.714","0.004","90","","94.341","0.003","90","","2596.7","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 S4 Zn -","- C28 H24 N2 S4 Zn -","- C112 H96 N8 S16 Zn4 -","4","1","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0998","0.0441","","","0.0685","0.0833","","","","","","1.005","","","","has coordinates","273209","2022-03-02","22:53:37",""
"7129773","10.7382","0.0009","11.2465","0.0011","12.8901","0.0012","68.17","0.003","68.707","0.003","87.56","0.003","1338.7","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 S4 Zn -","- C29 H28 N2 S4 Zn -","- C58 H56 N4 S8 Zn2 -","2","1","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0785","0.0419","","","0.0748","0.0871","","","","","","1.005","","","","has coordinates","273209","2022-03-02","22:53:37",""
"7129774","18.558","0.003","9.2607","0.0014","10.3515","0.0016","90","","90","","90","","1779","0.5","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0753","0.0588","","","0.1415","0.1522","","","","","","1.04","","","","has coordinates","273209","2022-03-02","22:53:37",""
"7129775","10.9771","0.0004","11.5337","0.0004","17.6262","0.0006","90","","104.46","0.001","90","","2160.9","0.13","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N O2 S2 -","- C21 H28 B N O2 S2 -","- C84 H112 B4 N4 O8 S8 -","4","1","","Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom","SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration","Chemical Communications","2022","","","","","10.1039/D1CC06981K","","","0.71073","MoKα","","0.0781","0.0502","","","0.128","0.1454","","","","","","1.059","","","","has coordinates,has disorder","273209","2022-03-02","22:53:37",""
"7129776","16.5487","0.0003","9.1479","0.0002","34.5522","0.0007","90","","95.294","0.002","90","","5208.4","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C24 H88 B14 K2 N4 O12 -","- C24 H88 B14 K2 N4 O12 -","- C96 H352 B56 K8 N16 O48 -","4","0.5","","Chen, Xi-Meng; Jia, Si-Han; Kang, Jiaxin; Zhang, Yichun; Ma, Yubin; Ma, Yi-ming; Jiang, Xin; Yu, Xing-Chao; Qiu, Pengtao; Chen, Xuenian","Synthesis of K[B3H7NH2BH2NH2B3H7] for K-ion solid-state electrolyte","Chemical Communications","2022","","","","","10.1039/D2CC00408A","","x-ray","1.54184","CuKα","","0.0755","0.0577","","","0.1484","0.1581","","","","","","1.079","","","","has coordinates","273439","2022-03-04","22:51:48",""
"7129777","24.4357","0.001","9.0502","0.0004","13.1766","0.0004","90","","94.775","0.004","90","","2903.9","0.2","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","NU-251","","- C10 H10 N4 O4 Zn -","- C10 H10 N4 O4 Zn -","- C80 H80 N32 O32 Zn8 -","8","1","","Fahy, Kira M.; Mian, Mohammad Rasel; Wasson, Megan C.; Son, Florencia A.; Islamoglu, Timur; Farha, Omar K.","Exchange of coordinated carboxylates with azolates as a route to obtain a microporous zinc–azolate framework","Chemical Communications","2022","","","","","10.1039/D2CC00925K","","","1.54184","CuKα","","0.0622","0.0477","","","0.1208","0.1289","","","","","","1.052","","","","has coordinates","273507","2022-03-07","22:53:13",""
"7129778","7.0233","0.0009","21.02","0.002","15.0121","0.0015","90","","103.257","0.004","90","","2157.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br N3 O4 S -","- C24 H18 Br N3 O4 S -","- C96 H72 Br4 N12 O16 S4 -","4","1","","Wang, Lu; Zhang, Yin; Miao, An-Qi; Zhang, Tian-Shu; Wang, Xiang; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Nitrative bicyclization of 1,7-diynes for accessing skeletally diverse tricyclic pyrroles","Chemical Communications","2022","","","","","10.1039/D2CC00206J","","","0.71073","MoKα","","0.2401","0.0779","","","0.1017","0.1312","","","","","","0.785","","","","has coordinates","273508","2022-03-07","22:53:36",""
"7129779","15.134","0.002","15.134","0.002","27.686","0.002","90","","90","","120","","5491.6","1.1","100","2","100","2","","","","","","","","8","P 32","P 32","145","","","","- C30 H101 Br2 Cu6 Mn N6 O38.5 S6 -","- C30 H74 Br2 Cu6 Mn N6 O25 S6 -","- C90 H222 Br6 Cu18 Mn3 N18 O75 S18 -","3","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Serendipitous formation of oxygen-bridged CuII6M (M = MnII, CoII) double cubanes showing electrocatalytic water oxidation","Chemical Communications","2022","","","","","10.1039/D1CC07199H","","","0.4148","synchrotron","","0.0455","0.0442","","","0.1068","0.1092","","","","","","1.09","","","","has coordinates","273509","2022-03-07","22:54:25",""
"7129780","15.098","0.0007","15.098","0.0007","55.4613","0.0014","90","","90","","120","","10948.6","0.8","100","2","100","2","","","","","","","","8","P 31","P 31","144","","","","- C60 H202 Br4 Co2 Cu12 N12 O77 S12 -","- C60 H144 Br4 Co2 Cu12 N12 O48 S12 -","- C180 H432 Br12 Co6 Cu36 N36 O144 S36 -","3","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Serendipitous formation of oxygen-bridged CuII6M (M = MnII, CoII) double cubanes showing electrocatalytic water oxidation","Chemical Communications","2022","","","","","10.1039/D1CC07199H","","","0.4148","synchrotron","","0.0498","0.0399","","","0.0843","0.0892","","","","","","0.892","","","","has coordinates","273509","2022-03-07","22:54:25",""
"7129781","8.3425","0.0002","24.9386","0.0007","9.474","0.0003","90","","99.117","0.001","90","","1946.17","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F O4 S -","- C22 H17 F O4 S -","- C88 H68 F4 O16 S4 -","4","2","","Zhu, Zhou-Hao; Ding, Yi-Xuan; Zhou, Yong-Gui","Transfer-catalyst-free biomimetic asymmetric reduction of 3-sulfonyl coumarins with a regenerable NAD(P)H model.","Chemical communications (Cambridge, England)","2022","58","24","3973","3976","10.1039/d1cc06896b","","","0.71073","MoKα","","0.0404","0.0333","","","0.078","0.0838","","","","","","1.02","","","","has coordinates","274959","2022-05-05","20:23:20",""
"7129782","13.1818","0.0001","39.3842","0.0004","9.4776","0.0001","90","","98.426","0.001","90","","4867.23","0.08","169.97","0.12","169.97","0.12","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 N3 -","- C63 H65 N5 -","- C252 H260 N20 -","4","1","","Zhou, He-Ye; Chen, Chuan-Feng","Adsorptive separation of picoline isomers by adaptive calix[3]acridan crystals","Chemical Communications","2022","","","","","10.1039/D2CC00943A","","x-ray","1.54184","CuKα","","0.0461","0.0426","","","0.1089","0.1117","","","","","","1.048","","","","has coordinates","273569","2022-03-09","22:54:11",""
"7129783","9.6062","0.0002","14.111","0.0003","20.1126","0.0003","102.652","0.001","103.668","0.002","104.1","0.002","2456.15","0.09","169.99","0.11","169.99","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C66 H65 N2 -","- C63 H65 N5 -","- C126 H130 N10 -","2","1","","Zhou, He-Ye; Chen, Chuan-Feng","Adsorptive separation of picoline isomers by adaptive calix[3]acridan crystals","Chemical Communications","2022","","","","","10.1039/D2CC00943A","","x-ray","1.54184","CuKα","","0.1147","0.0883","","","0.1666","0.1757","","","","","","1.062","","","","has coordinates","273569","2022-03-09","22:54:12",""
"7129784","9.2729","0.0001","13.6876","0.0003","20.4931","0.0004","73.661","0.002","82.215","0.001","84.642","0.002","2468.83","0.08","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C63 H65 N5 -","- C63 H65 N5 -","- C126 H130 N10 -","2","1","","Zhou, He-Ye; Chen, Chuan-Feng","Adsorptive separation of picoline isomers by adaptive calix[3]acridan crystals","Chemical Communications","2022","","","","","10.1039/D2CC00943A","","x-ray","1.54184","CuKα","","0.0504","0.0489","","","0.1291","0.1305","","","","","","1.029","","","","has coordinates","273569","2022-03-09","22:54:12",""
"7129785","8.256","0.004","11.579","0.006","16.616","0.008","90","","103.076","0.015","90","","1547.2","1.3","98","2","98.42","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 B Cl N Si -","- C13 H23 B Cl N Si -","- C52 H92 B4 Cl4 N4 Si4 -","4","1","","Maier, Matthias; Klopf, Jonas; Glasmacher, Clemens; Fantuzzi, Felipe; Bachmann, Jonas; Ayhan, Ozan; Koner, Abhishek; Engels, Bernd; Helten, Holger","Electrophilic activation of difunctional aminoboranes: B-N coupling <i>versus</i> intramolecular Cl/Me exchange.","Chemical communications (Cambridge, England)","2022","58","28","4464","4467","10.1039/d2cc00976e","","","0.71073","MoKα","","0.0777","0.0705","","","0.1954","0.2042","","","","","","1.037","","","","has coordinates","274952","2022-05-05","20:21:52",""
"7129786","6.076","0.0012","12.198","0.002","19.747","0.004","92.67","0.03","92.54","0.03","90.16","0.03","1460.5","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H31 P -","- C41 H31 P -","- C82 H62 P2 -","2","1","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","0.71073","Synchrotron","","0.0898","0.0699","","","0.1803","0.1903","","","","","","1.056","","","","has coordinates","273571","2022-03-09","22:56:16",""
"7129787","10.481","0.002","17.845","0.004","16.322","0.003","90","","95.03","0.03","90","","3041","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H66 Sm -","- C84 H66 Sm -","- C168 H132 Sm2 -","2","0.5","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","0.71073","Synchrotron","","0.1563","0.1207","","","0.2836","0.325","","","","","","0.979","","","","has coordinates","273571","2022-03-09","22:56:17",""
"7129788","11.9588","0.0002","12.2903","0.0001","14.3366","0.0001","88.227","0.001","80.39","0.001","82.417","0.001","2059.33","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H98 I2 O4 Yb2 -","- C98 H98 I2 O4 Yb2 -","- C98 H98 I2 O4 Yb2 -","1","0.5","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","1.54178","CuKα","","0.036","0.034","","","0.0855","0.0868","","","","","","1.073","","","","has coordinates","273571","2022-03-09","22:56:17",""
"7129789","9.115","0.0018","10.483","0.002","19.585","0.004","96.14","0.03","90.06","0.03","115.02","0.03","1683.8","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H35 P -","- C47 H35 P -","- C94 H70 P2 -","2","1","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","0.71073","Synchrotron","","0.0457","0.0443","","","0.1206","0.1224","","","","","","1.039","","","","has coordinates","273571","2022-03-09","22:56:17",""
"7129790","12.87","0.003","13.49","0.003","21.01","0.004","83.15","0.03","87.83","0.03","79.75","0.03","3563.3","1.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C97 H77 Yb -","- C97 H77 Yb -","- C194 H154 Yb2 -","2","1","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","0.71073","Synchrotron","","0.042","0.0361","","","0.0934","0.0972","","","","","","1.053","","","","has coordinates","273571","2022-03-09","22:56:17",""
"7129791","10.48","0.002","17.83","0.004","16.38","0.003","90","","94.9","0.03","90","","3049.6","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H66 Eu -","- C84 H66 Eu -","- C168 H132 Eu2 -","2","0.5","","Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney","Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes","Chemical Communications","2022","","","","","10.1039/D2CC00698G","","","0.71073","Synchrotron","","0.0645","0.0538","","","0.1387","0.1493","","","","","","1.066","","","","has coordinates","273571","2022-03-09","22:56:18",""
"7129792","14.3027","0.0007","17.1267","0.0005","19.0402","0.0007","88.509","0.003","83.11","0.003","70.595","0.004","4366.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H79 Eu3 N8 O39 -","- C75 H79 Eu3 N8 O39 -","- C150 H158 Eu6 N16 O78 -","2","1","","Sun, Yu-He; Li, Chun-Lei; Wang, Wen-Fei; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong","A photochromic and scintillation Eu-MOF with visual X-ray detection in bright and dark environments","Chemical Communications","2022","","","","","10.1039/D2CC00166G","","","0.71073","MoKα","","0.0992","0.0543","","","0.1302","0.1494","","","","","","1.023","","","","has coordinates,has disorder","273572","2022-03-09","22:57:02",""
"7129793","7.127","0.002","7.435","0.003","10.981","0.004","72.738","0.011","84.61","0.012","67.998","0.012","515.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C24 H20 Br2 N2 O2 -","2","1","","Li, Heng-Hui; Li, Shaoyu; Cheng, Jun Kee; Xiang, Shao-Hua; Tan, Bin","Direct Arylation of N-heterocycles enabled by photoredox catalysis","Chemical Communications","2022","","","","","10.1039/D2CC01212J","","x-ray","0.71073","MoKα","","0.0436","0.0343","","","0.079","0.0828","","","","","","1.061","","","","has coordinates","273612","2022-03-10","22:55:05",""
"7129794","9.4931","0.0009","9.7375","0.0009","11.0376","0.0009","89.373","0.002","73.867","0.002","62.537","0.002","861.41","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","","Xu, Ji-Hang; Liu, Zi-Kui; Tang, Yan-Liu; Gao, Yang; Hu, Xiao-Qiang","Merging strain-release and copper catalysis: the selective ring-opening cross-coupling of 1,2-oxazetidines with boronic acids","Chemical Communications","2022","","","","","10.1039/D2CC00461E","","","0.71073","MoKα","","0.115","0.0601","","","0.1492","0.1884","","","","","","0.997","","","","has coordinates","273613","2022-03-10","22:55:44",""
"7129795","7.835","0.006","7.929","0.005","15.763","0.011","100.17","0.02","92.23","0.03","98.55","0.03","951","1.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O2 -","- C23 H20 N4 O2 -","- C46 H40 N8 O4 -","2","1","","Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi","C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands","Chemical Communications","2022","","","","","10.1039/D2CC00639A","","","0.71073","MoKα","","0.0559","0.038","","","0.0837","0.0962","","","","","","0.983","","","","has coordinates","273614","2022-03-10","22:56:45",""
"7129796","8.2961","0.0003","19.418","0.0008","11.7921","0.0005","90","","109.104","0.001","90","","1795.01","0.12","297","2","297.39","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N5 O2 -","- C21 H17 N5 O2 -","- C84 H68 N20 O8 -","4","1","","Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi","C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands","Chemical Communications","2022","","","","","10.1039/D2CC00639A","","","0.71073","MoKα","","0.0448","0.0347","","","0.0888","0.0977","","","","","","1.071","","","","has coordinates","273614","2022-03-10","22:56:46",""
"7129797","8.0529","0.0019","10.359","0.003","11.497","0.003","96.46","0.014","109.436","0.01","103.717","0.01","859.2","0.4","299","2","298.89","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N5 Ni O2 -","- C21 H15 N5 Ni O2 -","- C42 H30 N10 Ni2 O4 -","2","1","","Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi","C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands","Chemical Communications","2022","","","","","10.1039/D2CC00639A","","","0.71073","MoKα","","0.0463","0.0322","","","0.076","0.0832","","","","","","1.064","","","","has coordinates","273614","2022-03-10","22:56:46",""
"7129798","10.456","0.003","14.261","0.003","13.237","0.003","90","","98.232","0.009","90","","1953.5","0.8","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 Ni O2 -","- C23 H18 N4 Ni O2 -","- C92 H72 N16 Ni4 O8 -","4","1","","Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi","C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands","Chemical Communications","2022","","","","","10.1039/D2CC00639A","","","0.71073","MoKα","","0.0494","0.0319","","","0.0725","0.0839","","","","","","1.048","","","","has coordinates","273614","2022-03-10","22:56:46",""
"7129799","14.9332","0.0016","10.7999","0.0012","20.545","0.002","90","","90.806","0.002","90","","3313.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Al Br2 N3 -","- C31 H51 Al Br2 N3 -","- C124 H204 Al4 Br8 N12 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","0.71073","MoKα","","0.0575","0.0346","","","0.0761","0.0843","","","","","","1.025","","","","has coordinates","273616","2022-03-10","22:58:42",""
"7129800","14.3008","0.0019","14.7881","0.0019","19.075","0.003","90","","90","","90","","4034","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 B F20 N -","- C44 H32 B F20 N -","- C176 H128 B4 F80 N4 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","0.71073","MoKα","","0.0538","0.0411","","","0.0954","0.1031","","","","","","1.051","","","","has coordinates","273616","2022-03-10","22:58:42",""
"7129801","15.157","0.006","10.928","0.004","20","0.007","90","","90.064","0.009","90","","3313","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl2 Ga N3 -","- C31 H51 Cl2 Ga N3 -","- C124 H204 Cl8 Ga4 N12 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","0.71073","MoKα","","0.1228","0.0659","","","0.1394","0.1555","","","","","","1.074","","","","has coordinates","273616","2022-03-10","22:58:43",""
"7129802","17.3212","0.0016","17.022","0.0016","19.1672","0.0018","90","","101.493","0.003","90","","5538","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 Al B Br2 F20 N3 -","- C55 H51 Al B Br2 F20 N3 -","- C220 H204 Al4 B4 Br8 F80 N12 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","0.71073","MoKα","","0.0546","0.0331","","","0.0743","0.0818","","","","","","1.019","","","","has coordinates","273616","2022-03-10","22:58:43",""
"7129803","9.3349","0.0004","19.9338","0.0009","29.6976","0.0013","90","","93.9233","0.0014","90","","5513.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 B Cl2 F20 Ga N3 -","- C55 H51 B Cl2 F20 Ga N3 -","- C220 H204 B4 Cl8 F80 Ga4 N12 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","1.54178","CuKα","","0.0277","0.0262","","","0.0698","0.071","","","","","","1.027","","","","has coordinates","273616","2022-03-10","22:58:43",""
"7129804","25.909","0.005","17.361","0.004","17.014","0.003","90","","93.9","0.03","90","","7635","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 N7 O19 Zn3 -","- C66 H66 N7 O19 Zn3 -","- C264 H264 N28 O76 Zn12 -","4","1","","Thoonen, Shannon; Tay, Hui Min; Hua, Carol","A chiral binaphthyl-based coordination polymer as an enantioselective fluorescence sensor.","Chemical communications (Cambridge, England)","2022","58","28","4512","4515","10.1039/d1cc06872e","","","0.71073","Synchrotron","","0.1959","0.1209","","","0.3128","0.3881","","","","","","1.229","","","","has coordinates,has disorder","274954","2022-05-05","20:22:10",""
"7129805","15.5472","0.0008","22.4944","0.0012","23.7093","0.0012","90","","90","","90","","8291.7","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H57 Cl15 F22 Ir N4 O2 P3 -","- C65 H57 Cl15 F22 Ir N4 O2 P3 -","- C260 H228 Cl60 F88 Ir4 N16 O8 P12 -","4","1","","Li, Mingfeng; Chia, Xiu Li; Zhu, Ye","Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines","Chemical Communications","2022","","","","","10.1039/D2CC01064J","","","0.71073","MoKα","","0.065","0.0539","","","0.1432","0.1556","","","","","","1.096","","","","has coordinates,has disorder","273618","2022-03-10","23:00:07",""
"7129806","10.0794","0.0005","10.3203","0.0005","13.2104","0.0007","111.683","0.002","96.696","0.002","106.04","0.002","1189.87","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H27 N -","- C34 H27 N -","- C68 H54 N2 -","2","1","","Li, Mingfeng; Chia, Xiu Li; Zhu, Ye","Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines","Chemical Communications","2022","","","","","10.1039/D2CC01064J","","","1.54178","CuKα","","0.0453","0.0343","","","0.0837","0.0904","","","","","","1.047","","","","has coordinates,has disorder","273618","2022-03-10","23:00:07",""
"7129807","13.6525","0.0002","16.4788","0.0004","19.2469","0.0004","81.3024","0.0019","79.5672","0.0016","82.5868","0.0018","4186.48","0.15","140","0.1","140","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C72 H135 Mo N Na O12 P2 Si3 U -","- C72 H135 Mo N Na O12 P2 Si3 U -","- C144 H270 Mo2 N2 Na2 O24 P4 Si6 U2 -","2","1","","Barluzzi, Luciano; Jori, Nadir; He, Tianyi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Oyala, Paul; Agapie, Theodor; Mazzanti, Marinella","Heterometallic uranium/molybdenum nitride synthesis <i>via</i> partial N-atom transfer.","Chemical communications (Cambridge, England)","2022","58","29","4655","4658","10.1039/d2cc00473a","","x-ray","1.54184","CuKα","","0.027","0.0268","","","0.0715","0.0717","","","","","","1.07","","","","has coordinates","274948","2022-05-05","20:20:23",""
"7129808","9.8784","0.0015","7.7634","0.0012","17.249","0.003","90","","91.619","0.002","90","","1322.3","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 S2 Zn -","- C12 H12 N2 S2 Zn -","- C48 H48 N8 S8 Zn4 -","4","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0671","0.0627","","","0.1698","0.1755","","","","","","1.038","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129809","14.3876","0.0007","12.6862","0.0006","7.563","0.0004","90","","90","","90","","1380.43","0.12","230","2","230","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H9 I N2 S2 Zn -","- C11 H9 I N2 S2 Zn -","- C44 H36 I4 N8 S8 Zn4 -","4","0.5","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0367","0.0273","","","0.0618","0.0656","","","","","","1.045","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129810","4.4685","0.0003","13.4465","0.0008","19.5517","0.0011","90","","90","","90","","1174.78","0.12","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 S2 Zn -","- C11 H10 N2 S2 Zn -","- C44 H40 N8 S8 Zn4 -","4","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0328","0.0268","","","0.053","0.0551","","","","","","1.059","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129811","13.5944","0.0009","12.8018","0.0009","7.6066","0.0005","90","","105.606","0.0009","90","","1275","0.15","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl N2 S2 Zn -","- C11 H9 Cl N2 S2 Zn -","- C44 H36 Cl4 N8 S8 Zn4 -","4","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0565","0.0425","","","0.1022","0.1104","","","","","","1.084","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129812","7.4884","0.0012","11.9978","0.0019","7.5106","0.0012","90","","101.799","0.002","90","","660.53","0.18","179","2","179","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 N3 O S2 Zn -","- C12 H9 N3 O S2 Zn -","- C24 H18 N6 O2 S4 Zn2 -","2","0.5","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0424","0.0317","","","0.0758","0.0824","","","","","","1.038","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129813","6.9043","0.0003","11.3468","0.0006","15.067","0.0007","80.8856","0.0007","79.8519","0.0007","77.5709","0.0007","1125.73","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 N3 S2 Si2 Zn -","- C17 H27 N3 S2 Si2 Zn -","- C34 H54 N6 S4 Si4 Zn2 -","2","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0695","0.0401","","","0.0768","0.0872","","","","","","1.001","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129814","7.4777","0.001","13.5112","0.0017","13.5202","0.0017","90","","99.751","0.002","90","","1346.2","0.3","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O2 S2 Zn -","- C12 H10 N2 O2 S2 Zn -","- C48 H40 N8 O8 S8 Zn4 -","4","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0781","0.0537","","","0.121","0.1302","","","","","","1.099","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129815","7.7673","0.0014","17.231","0.003","19.818","0.004","90","","90","","90","","2652.4","0.9","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br N2 S2 Zn -","- C11 H9 Br N2 S2 Zn -","- C88 H72 Br8 N16 S16 Zn8 -","8","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0453","0.0309","","","0.0697","0.0757","","","","","","1.041","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129816","9.9138","0.0005","7.6149","0.0004","16.1593","0.0008","90","","90.3892","0.0007","90","","1219.88","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 N2 S2 Zn -","- C11 H10 N2 S2 Zn -","- C44 H40 N8 S8 Zn4 -","4","2","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0552","0.0364","","","0.0609","0.0667","","","","","","1.002","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129817","11.0445","0.0008","11.7845","0.0009","12.3961","0.0009","105.316","0.001","107.739","0.001","106.256","0.001","1363.28","0.18","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H24 N2 O S2 Si Zn -","- C29 H24 N2 O S2 Si Zn -","- C58 H48 N4 O2 S4 Si2 Zn2 -","2","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0547","0.0368","","","0.0869","0.0961","","","","","","1.016","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129818","12.08899","0.00015","19.34274","0.00017","14.78739","0.00017","90","","107.232","0.0012","90","","3302.58","0.07","139.99","0.1","139.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Cl3 N3 V -","- C33 H39 Cl3 N3 V -","- C132 H156 Cl12 N12 V4 -","4","1","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.0368","0.0345","","","0.1012","0.1027","","","","","","1.066","","","","has coordinates","273666","2022-03-11","22:54:53",""
"7129819","11.3015","0.0006","11.6166","0.0003","20.8002","0.0009","84.755","0.003","81.999","0.005","67.677","0.004","2499.3","0.2","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H66 Cl3 N3 P V -","- C45 H66 Cl3 N3 P V -","- C90 H132 Cl6 N6 P2 V2 -","2","1","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.1319","0.0931","","","0.2637","0.2894","","","","","","1.058","","","","has coordinates,has disorder","273666","2022-03-11","22:54:54",""
"7129820","16.7785","0.0003","9.2915","0.00018","22.4036","0.0004","90","","103.312","0.002","90","","3398.82","0.11","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Cl3 N2 V -","- C34 H42 Cl3 N2 V -","- C136 H168 Cl12 N8 V4 -","4","1","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.0499","0.0387","","","0.0954","0.1017","","","","","","1.045","","","","has coordinates,has disorder","273666","2022-03-11","22:54:55",""
"7129821","15.1641","0.0002","12.35741","0.00014","24.0239","0.0003","90","","107.882","0.0014","90","","4284.32","0.1","140","0.1","140","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C39 H57 Cl2 N4 Si2 V -","- C39 H57 Cl2 N4 Si2 V -","- C156 H228 Cl8 N16 Si8 V4 -","4","1","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.0587","0.0482","","","0.1311","0.1372","","","","","","1.037","","","","has coordinates","273666","2022-03-11","22:54:55",""
"7129822","23.271","0.0005","23.7721","0.0004","13.68963","0.00017","90","","98.8968","0.0015","90","","7482","0.2","229.99","0.1","229.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H90 Cl4 N6 V2 -","- C78 H90 Cl4 N6 V2 -","- C312 H360 Cl16 N24 V8 -","4","0.5","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.0446","0.0383","","","0.1104","0.1153","","","","","","1.074","","","","has coordinates,has disorder","273666","2022-03-11","22:54:55",""
"7129823","10.9179","0.0004","19.6672","0.0005","24.8242","0.0007","90","","98.425","0.003","90","","5272.8","0.3","220","0.1","220","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H66 N3 O3 V -","- C45 H66 N3 O3 V -","- C180 H264 N12 O12 V4 -","4","1","","Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay","Vanadium complexes with N-heterocyclic vinylidene ligands","Chemical Communications","2022","","","","","10.1039/D2CC00768A","","x-ray","1.54184","CuKα","","0.0909","0.0611","","","0.1683","0.188","","","","","","1.033","","","","has coordinates,has disorder","273666","2022-03-11","22:54:55",""
"7129824","16.5869","0.0007","11.9546","0.0005","14.0741","0.0007","90","","109.534","0.005","90","","2630.1","0.2","99.98","0.13","99.98","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cd1.493 Cl O2 S2 -","- C12 H10 Cd1.493 Cl O2 S2 -","- C96 H80 Cd11.944 Cl8 O16 S16 -","8","2","","Pan, Yu; Wang, Chengpeng; Fu, Zhihua; Wang, Guang-E; Xu, Gang","Fluorescence sensing of nitrophenol explosives using a two-dimensional organic-metal chalcogenide fully covered with functional groups.","Chemical communications (Cambridge, England)","2022","58","29","4615","4618","10.1039/d2cc00834c","","x-ray","1.3405","micro-focusmetaljet","","0.21","0.1976","","","0.4901","0.4979","","","","","","2.1568","","","","has coordinates,has disorder","274947","2022-05-05","20:20:16",""
"7129825","9.37881","0.0001","10.99282","0.00019","26.0777","0.0002","95.4821","0.001","90.1949","0.0008","109.333","0.0013","2523.63","0.06","280","0.2","280","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H50 N2 O4 S2 -","- C64 H50 N2 O4 S2 -","- C128 H100 N4 O8 S4 -","2","1","","Yang, Kai-Xuan; Ji, Dong-Sheng; Zheng, Haixue; Gu, Yucheng; Xu, Peng-Fei","Organocatalytic inverse-electron-demand Diels–Alder reaction between 5-alkenyl thiazolones and β,γ-unsaturated carbonyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC00457G","","x-ray","1.54184","CuKα","","0.0635","0.0578","","","0.1656","0.1722","","","","","","1.049","","","","has coordinates","273680","2022-03-14","22:54:12",""
"7129826","12.0118","0.0002","12.7811","0.0002","16.952","0.0003","90","","90","","90","","2602.54","0.08","302.76","0.1","302.76","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N O2 S -","- C33 H27 N O2 S -","- C132 H108 N4 O8 S4 -","4","1","","Yang, Kai-Xuan; Ji, Dong-Sheng; Zheng, Haixue; Gu, Yucheng; Xu, Peng-Fei","Organocatalytic inverse-electron-demand Diels–Alder reaction between 5-alkenyl thiazolones and β,γ-unsaturated carbonyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC00457G","","x-ray","1.54184","CuKα","","0.0397","0.0344","","","0.0867","0.0895","","","","","","1.007","","","","has coordinates","273680","2022-03-14","22:54:13",""
"7129827","11.983","0.0002","13.0537","0.0003","16.2653","0.0003","90","","90","","90","","2544.26","0.09","298.07","0.14","298.07","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O2 S -","- C32 H25 N O2 S -","- C128 H100 N4 O8 S4 -","4","1","","Yang, Kai-Xuan; Ji, Dong-Sheng; Zheng, Haixue; Gu, Yucheng; Xu, Peng-Fei","Organocatalytic inverse-electron-demand Diels–Alder reaction between 5-alkenyl thiazolones and β,γ-unsaturated carbonyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC00457G","","x-ray","1.54184","CuKα","","0.0471","0.0374","","","0.0964","0.101","","","","","","1.042","","","","has coordinates","273680","2022-03-14","22:54:13",""
"7129828","8.906","0.002","9.306","0.003","14.498","0.004","89.499","0.003","76.65","0.003","65.347","0.003","1057.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 Cl2 Mn N3 O10 -","- C16 H21 Cl2 Mn N3 O10 -","- C32 H42 Cl4 Mn2 N6 O20 -","2","1","","Jeon, Hyeri; Kim, Jisoo; Kim, Jin; Cho, Kyung-Bin; Hong, Seungwoo","An end-on bis(μ-hydroxido) dimanganese(II,III) azide complex for C-H bond and O-H bond activation reactions.","Chemical communications (Cambridge, England)","2022","58","29","4623","4626","10.1039/d2cc01129h","","","0.71073","MoKα","","0.0734","0.0627","","","0.19","0.2081","","","","","","1.059","","","","has coordinates","274949","2022-05-05","20:20:31",""
"7129829","10.8912","0.0011","10.4204","0.0011","16.9841","0.0017","90","","99.8018","0.0013","90","","1899.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Mn2 N18 O4 -","- C32 H42 Mn2 N18 O4 -","- C64 H84 Mn4 N36 O8 -","2","0.5","","Jeon, Hyeri; Kim, Jisoo; Kim, Jin; Cho, Kyung-Bin; Hong, Seungwoo","An end-on bis(μ-hydroxido) dimanganese(II,III) azide complex for C-H bond and O-H bond activation reactions.","Chemical communications (Cambridge, England)","2022","58","29","4623","4626","10.1039/d2cc01129h","","","0.71073","MoKα","","0.0558","0.0435","","","0.1162","0.124","","","","","","1.064","","","","has coordinates","274949","2022-05-05","20:20:32",""
"7129830","9.397","0.004","10.471","0.005","15.004","0.007","73.416","0.01","78.485","0.01","66.927","0.009","1295.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N2 O8 Tb -","- C29 H27 N2 O8 Tb -","- C58 H54 N4 O16 Tb2 -","2","1","","Wang, Xiaomei; Liu, Cheng; Wang, Ming; Zhou, Xinhui; You, Yujian; Xiao, Hongping","A selective fluorescence turn-on sensing coordination polymer for antibiotic aztreonam.","Chemical communications (Cambridge, England)","2022","58","29","4667","4670","10.1039/d2cc00007e","","","0.71073","MoKα","","0.0453","0.0446","","","0.152","0.1533","","","","","","1.371","","","","has coordinates","274946","2022-05-05","20:20:05",""
"7129831","10.0582","0.0006","11.3137","0.0007","11.3744","0.0007","85.422","0.002","89.974","0.002","77.443","0.002","1259.17","0.13","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cl N O4 -","- C29 H28 Cl N O4 -","- C58 H56 Cl2 N2 O8 -","2","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.0879","0.0597","","","0.1249","0.1338","","","","","","1.041","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129832","25.52","0.008","11.215","0.003","20.049","0.007","90","","112.806","0.009","90","","5290","3","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 F3 N O4 -","- C30 H28 F3 N O4 -","- C240 H224 F24 N8 O32 -","8","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.1691","0.1225","","","0.2644","0.2859","","","","","","1.1","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129833","10.7537","0.0013","11.4253","0.0014","11.8372","0.0015","83.875","0.004","77.861","0.004","68.433","0.004","1321.6","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H33 F O4 -","- C32 H33 F O4 -","- C64 H66 F2 O8 -","2","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.1405","0.0623","","","0.1492","0.1746","","","","","","0.972","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129834","9.1084","0.0005","11.8341","0.0007","13.8157","0.0008","94.809","0.002","107.322","0.002","91.397","0.002","1414.74","0.14","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H33 Cl O4 -","- C32 H33 Cl O4 -","- C64 H66 Cl2 O8 -","2","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.0995","0.0601","","","0.1536","0.1699","","","","","","1.074","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129835","9.1533","0.0013","12.2143","0.0016","13.953","0.002","96.106","0.005","106.461","0.005","90.549","0.005","1486.2","0.4","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 F3 O4 -","- C33 H33 F3 O4 -","- C66 H66 F6 O8 -","2","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.218","0.1361","","","0.2789","0.3186","","","","","","1.063","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129836","11.4176","0.0005","11.604","0.0005","22.5633","0.001","98.223","0.002","92.734","0.002","119.273","0.001","2556.8","0.2","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","2","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.1081","0.0556","","","0.132","0.1501","","","","","","1.03","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129837","9.4344","0.0004","10.4959","0.0005","14.3304","0.0006","96.736","0.002","104.101","0.002","94.205","0.002","1359.1","0.1","301","2","301","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 F N O4 -","- C29 H28 F N O4 -","- C58 H56 F2 N2 O8 -","2","1","","Yao, Tuanli; Zhao, Shuaijing; Liu, Tao; Wu, Yuting; Ma, Yanhui; Li, Tao; Qin, Xiangyang","Transition-metal-free approaches to 2,3-diarylated indenones from 2-alkynylbenzaldehydes and phenols with tunable selectivity.","Chemical communications (Cambridge, England)","2022","58","29","4592","4595","10.1039/d2cc01324j","","","0.71073","MoKα","","0.0851","0.0573","","","0.1697","0.1845","","","","","","1.054","","","","has coordinates","274950","2022-05-05","20:20:43",""
"7129838","11.5126","0.0017","12.3059","0.0016","12.6306","0.0017","88.819","0.004","63.664","0.004","88.142","0.004","1602.8","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 B2 F6 Ru2 -","- C32 H38 B2 F6 Ru2 -","- C64 H76 B4 F12 Ru4 -","2","1","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","x-ray","0.71073","MoKα","","0.0478","0.0378","","","0.1014","0.1047","","","","","","1.071","","","","has coordinates","274951","2022-05-05","20:21:34",""
"7129839","20.8857","0.0012","15.8426","0.001","22.4748","0.0012","90","","90","","90","","7436.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H56 B2 Ru2 -","- C38 H56 B2 Ru2 -","- C304 H448 B16 Ru16 -","8","1","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","","0.71073","MoKα","","0.0353","0.0233","","","0.0539","0.0567","","","","","","1.051","","","","has coordinates","274951","2022-05-05","20:21:35",""
"7129840","9.8015","0.0009","17.1267","0.0015","17.3776","0.0015","90","","90","","90","","2917.1","0.4","150","","150","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C32 H44 B2 Ru2 -","- C32 H44 B2 Ru2 -","- C128 H176 B8 Ru8 -","4","0.5","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0753","0.0784","","","","","","1.144","","","","has coordinates","274951","2022-05-05","20:21:35",""
"7129841","8.8795","0.0005","12.1593","0.0007","16.4427","0.001","72.368","0.002","83.187","0.002","73.943","0.002","1624.71","0.17","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 B P Ru -","- C37 H44 B P Ru -","- C74 H88 B2 P2 Ru2 -","2","1","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","x-ray","0.71073","MoKα","","0.0411","0.0312","","","0.0681","0.0705","","","","","","1.051","","","","has coordinates","274951","2022-05-05","20:21:35",""
"7129842","13.4218","0.0008","13.8031","0.0008","17.3437","0.001","90","","108.866","0.004","90","","3040.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 B N S3 -","- C37 H28 B N S3 -","- C148 H112 B4 N4 S12 -","4","1","","Fung, Tony Ho-Ching; Wong, Cheok-Lam; Tang, Wai-Kit; Leung, Ming-Yi; Low, Kam-Hung; Yam, Vivian Wing-Wah","Photochromic dithienylethene-containing four-coordinate boron(iii) compounds with a spirocyclic scaffold","Chemical Communications","2022","","","","","10.1039/D2CC00107A","","","1.54178","CuKα","","0.0947","0.0678","","","0.167","0.1928","","","","","","1.049","","","","has coordinates","273700","2022-03-15","22:57:44",""
"7129843","12.534","0.012","17.556","0.018","12.832","0.011","90","","102.25","0.02","90","","2759","5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 B N S3 -","- C33 H26 B N S3 -","- C132 H104 B4 N4 S12 -","4","1","","Fung, Tony Ho-Ching; Wong, Cheok-Lam; Tang, Wai-Kit; Leung, Ming-Yi; Low, Kam-Hung; Yam, Vivian Wing-Wah","Photochromic dithienylethene-containing four-coordinate boron(iii) compounds with a spirocyclic scaffold","Chemical Communications","2022","","","","","10.1039/D2CC00107A","","","0.71073","MoKα","","0.0938","0.0569","","","0.1027","0.1152","","","","","","1.059","","","","has coordinates,has disorder","273700","2022-03-15","22:57:45",""
"7129844","10.9752","0.0008","29.683","0.002","23.6145","0.0016","90","","91.371","0.002","90","","7690.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H45 Cl N2 Pt -","- C44.5 H45 Cl N2 Pt -","- C356 H360 Cl8 N16 Pt8 -","8","2","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Phosphorescent biaryl platinum(IV) complexes obtained through double metalation of dibenzoiodolium ions.","Chemical communications (Cambridge, England)","2022","58","28","4532","4535","10.1039/d2cc01018f","","","0.71073","MoKα","","0.0334","0.0268","","","0.0568","0.0593","","","","","","1.045","","","","has coordinates","274957","2022-05-05","20:23:01",""
"7129845","17.1359","0.001","18.0068","0.001","18.8414","0.0011","90","","90","","90","","5813.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H25 F2 I N2 Pt -","- C36 H25 F2 I N2 Pt -","- C288 H200 F16 I8 N16 Pt8 -","8","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Phosphorescent biaryl platinum(IV) complexes obtained through double metalation of dibenzoiodolium ions.","Chemical communications (Cambridge, England)","2022","58","28","4532","4535","10.1039/d2cc01018f","","","0.71073","MoKα","","0.0242","0.0179","","","0.037","0.0395","","","","","","1.065","","","","has coordinates","274957","2022-05-05","20:23:01",""
"7129846","16.2963","0.001","21.4916","0.0013","11.4378","0.0007","90","","101.459","0.002","90","","3926.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 F5 I N2 O4 Pt S -","- C41 H36 F5 I N2 O4 Pt S -","- C164 H144 F20 I4 N8 O16 Pt4 S4 -","4","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Phosphorescent biaryl platinum(IV) complexes obtained through double metalation of dibenzoiodolium ions.","Chemical communications (Cambridge, England)","2022","58","28","4532","4535","10.1039/d2cc01018f","","","0.71073","MoKα","","0.0548","0.0355","","","0.0735","0.0817","","","","","","1.054","","","","has coordinates","274957","2022-05-05","20:23:01",""
"7129847","14.305","0.004","15.217","0.004","21.403","0.007","90","","105.807","0.011","90","","4483","2","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C118 H100 Al2 Ni2 -","- C118 H100 Al2 Ni2 -","- C236 H200 Al4 Ni4 -","2","1","","Heiß, Patricia; Hornung, Julius; Gemel, Christian; Fischer, Roland A.","A combinatorial coordination-modulated approach to all-hydrocarbon-ligated intermetallic clusters","Chemical Communications","2022","","","","","10.1039/D2CC00396A","","x-ray","0.71073","MoKα","","0.0456","0.0383","","","0.0861","0.0895","","","","","","1.04","","","","has coordinates","273702","2022-03-15","22:59:42",""
"7129848","17.885","0.003","9.582","0.0015","17.095","0.002","90","","115.958","0.005","90","","2634.1","0.7","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Al Ni -","- C30 H47 Al Ni -","- C120 H188 Al4 Ni4 -","4","1","","Heiß, Patricia; Hornung, Julius; Gemel, Christian; Fischer, Roland A.","A combinatorial coordination-modulated approach to all-hydrocarbon-ligated intermetallic clusters","Chemical Communications","2022","","","","","10.1039/D2CC00396A","","x-ray","0.71073","MoKα","","0.0391","0.0294","","","0.0655","0.0721","","","","","","1.051","","","","has coordinates","273702","2022-03-15","22:59:42",""
"7129849","20.186","0.0015","7.3066","0.0006","20.4874","0.0017","90","","90","","90","","3021.7","0.4","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C168 H128 O16 -","8","1","","Grzybowski, Marek; Morawski, Olaf; Nowak, Krzysztof; Garbacz, Paula","Fluorene analogues of xanthenes – low molecular weight near-infrared dyes","Chemical Communications","2022","","","","","10.1039/D2CC00561A","","","1.54178","CuKα","","0.1656","0.0684","","","0.1489","0.1707","","","","","","0.993","","","","has coordinates","273703","2022-03-15","23:00:10",""
"7129850","10.8263","0.0003","21.7654","0.0004","11.6633","0.0004","90","","117.279","0.004","90","","2442.67","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 O2 -","- C31 H30 O2 -","- C124 H120 O8 -","4","1","","Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing","Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones","Chemical Communications","2022","","","","","10.1039/D2CC00183G","","x-ray","1.54184","CuKα","","0.055","0.0429","","","0.115","0.1292","","","","","","1.06","","","","has coordinates","273738","2022-03-16","22:55:17",""
"7129851","18.8373","0.0004","11.7899","0.0003","27.1076","0.0007","90","","105.181","0.002","90","","5810.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Br O2 -","- C31 H31 Br O2 -","- C248 H248 Br8 O16 -","8","1","","Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing","Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones","Chemical Communications","2022","","","","","10.1039/D2CC00183G","","x-ray","1.54184","CuKα","","0.0454","0.0406","","","0.1122","0.1168","","","","","","1.022","","","","has coordinates","273738","2022-03-16","22:55:18",""
"7129852","17.656","0.0002","12.29932","0.00013","17.807","0.0002","90","","101.282","0.0011","90","","3792.19","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 O4 S -","- C40 H40 O4 S -","- C160 H160 O16 S4 -","4","1","","Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing","Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones","Chemical Communications","2022","","","","","10.1039/D2CC00183G","","x-ray","1.54184","CuKα","","0.0553","0.0449","","","0.1206","0.1302","","","","","","1.032","","","","has coordinates","273738","2022-03-16","22:55:20",""
"7129853","11.4412","0.0003","13.3055","0.0004","21.0185","0.0006","107.066","0.002","90.028","0.002","112.861","0.003","2794.6","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H66 Br2 O5 -","- C63 H66 Br2 O5 -","- C126 H132 Br4 O10 -","2","1","","Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing","Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones","Chemical Communications","2022","","","","","10.1039/D2CC00183G","","x-ray","1.54184","CuKα","","0.0889","0.0667","","","0.1862","0.2105","","","","","","1.009","","","","has coordinates,has disorder","273738","2022-03-16","22:55:21",""
"7129854","5.53","0.0008","17.308","0.003","29.896","0.004","85.857","0.006","86.344","0.004","88.325","0.005","2847.3","0.7","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N11 O5 S -","- C7 H11 N11 O5 S -","- C56 H88 N88 O40 S8 -","8","4","","Ma, Qing; Cheng, Zhen; Yang, Lei; Du, Wei; Yin, Yilin; Ma, Wenqiang; Fan, Guijuan; Li, Jinshan","Accelerated discovery of thermostable high-energy materials with intramolecular donor-acceptor building blocks.","Chemical communications (Cambridge, England)","2022","58","28","4460","4463","10.1039/d2cc00074a","","","0.71073","MoKα","","0.1831","0.0864","","","0.1894","0.2458","","","","","","1.024","","","","has coordinates","274953","2022-05-05","20:22:00",""
"7129855","6.7298","0.0003","6.9801","0.0004","15.5552","0.0007","77.956","0.002","82.164","0.002","89.214","0.002","707.86","0.06","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N24 O9 -","- C16 H24 N24 O9 -","- C16 H24 N24 O9 -","1","0.5","","Ma, Qing; Cheng, Zhen; Yang, Lei; Du, Wei; Yin, Yilin; Ma, Wenqiang; Fan, Guijuan; Li, Jinshan","Accelerated discovery of thermostable high-energy materials with intramolecular donor-acceptor building blocks.","Chemical communications (Cambridge, England)","2022","58","28","4460","4463","10.1039/d2cc00074a","","","0.71073","MoKα","","0.0622","0.0491","","","0.1134","0.1219","","","","","","1.099","","","","has coordinates,has disorder","274953","2022-05-05","20:22:02",""
"7129856","10.1028","0.0004","10.3516","0.0004","14.1317","0.0003","76.623","0.003","78.356","0.003","64.759","0.004","1291.55","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-azido-2,3,4,5-tetraphenylborole pyridine adduct","","","- C33 H25 B Cl0.03 N3.92 -","- C33 H25 B Cl0.028 N3.916 -","- C66 H50 B2 Cl0.056 N7.832 -","2","1","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","1.54184","CuKα","","0.0461","0.0421","","","0.1129","0.1164","","","","","","1.072","","","","has coordinates,has disorder","273740","2022-03-16","22:57:52",""
"7129857","10.3755","0.0007","17.125","0.0009","23.2382","0.0012","90","","93.498","0.002","90","","4121.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetraphenylphosphonium diazido-2,3,4,5-tetraphenylborolate","","","- C52 H40 B N6 P -","- C52 H40 B N6 P -","- C208 H160 B4 N24 P4 -","4","1","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","0.71073","MoKα","","0.0825","0.0528","","","0.1336","0.1489","","","","","","1.044","","","","has coordinates,has disorder","273740","2022-03-16","22:57:54",""
"7129858","13.0517","0.0001","16.9298","0.0002","17.5029","0.0002","90","","95.675","0.001","90","","3848.53","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-azido-2,3,4,5-tetraphenylborole tricyclohexylphosphine addduct","","","- C46 H53 B Cl0.07 N2.79 P -","- C46 H53 B Cl0.072 N2.784 P -","- C184 H212 B4 Cl0.288 N11.136 P4 -","4","1","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","1.54184","CuKα","","0.0474","0.0418","","","0.1046","0.108","","","","","","1.045","","","","has coordinates,has disorder","273740","2022-03-16","22:57:54",""
"7129859","29.7421","0.0011","15.8764","0.0007","16.4574","0.0007","90","","118.285","0.001","90","","6843.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(3,4,5,6-tetraphenyl-1,2-azaborine)3","","","- C86 H64 B3 Cl4 N3 -","- C86 H64 B3 Cl4 N3 -","- C344 H256 B12 Cl16 N12 -","4","0.5","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","0.71073","MoKα","","0.121","0.094","","","0.2126","0.2331","","","","","","1.03","","","","has coordinates,has disorder","273740","2022-03-16","22:57:54",""
"7129860","18.758","0.002","12.3357","0.0014","18.957","0.002","90","","91.531","0.004","90","","4385","0.8","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetraphenylphosphonium salts of mixed chloro/azido-2,3,4,5-tetraphenylborolates","","","- C53 H42 B Cl3.75 N0.74 P -","- C53 H42 B Cl3.752 N0.744 P -","- C212 H168 B4 Cl15.008 N2.976 P4 -","4","1","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","0.71073","MoKα","","0.048","0.0437","","","0.0946","0.0963","","","","","","1.187","","","","has coordinates,has disorder","273740","2022-03-16","22:57:54",""
"7129861","11.4915","0.0006","13.672","0.0007","17.9784","0.0008","81.894","0.002","75.642","0.001","85.43","0.002","2706.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bis(triphenylphosphine)iminium dichloro-2,3,4,5-tetraphenylborolate","","","- C65 H52 B Cl4 N P2 -","- C64.998 H51.996 B Cl3.996 N P2 -","- C129.996 H103.992 B2 Cl7.992 N2 P4 -","2","1","","Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger","Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide","Chemical Communications","2022","","","","","10.1039/D2CC00543C","","","0.71073","MoKα","","0.0679","0.0585","","","0.1534","0.16","","","","","","1.101","","","","has coordinates,has disorder","273740","2022-03-16","22:57:54",""
"7129862","9.2462","0.0003","13.0571","0.0003","23.0265","0.0007","90","","96.045","0.003","90","","2764.5","0.14","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 I N2 O5 -","- C31 H31 I N2 O5 -","- C124 H124 I4 N8 O20 -","4","1","","Li, Xin; Zhou, Qianyi","Atroposelective Construction of Axially Chiral Enamides via N‑Allylic Alkylation","Chemical Communications","2022","","","","","10.1039/D2CC01000C","","x-ray","0.71073","MoKα","","0.0461","0.0377","","","0.0785","0.0829","","","","","","1.061","","","","has coordinates","273741","2022-03-16","22:59:15",""
"7129863","14.3867","0.0009","14.4019","0.0008","16.0728","0.0008","82.079","0.004","69.45","0.005","61.749","0.006","2745.2","0.3","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Br I N O3 -","- C31 H31 Br I N O3 -","- C124 H124 Br4 I4 N4 O12 -","4","2","","Li, Xin; Zhou, Qianyi","Atroposelective Construction of Axially Chiral Enamides via N‑Allylic Alkylation","Chemical Communications","2022","","","","","10.1039/D2CC01000C","","x-ray","0.71073","MoKα","","0.1171","0.0568","","","0.0907","0.1145","","","","","","0.987","","","","has coordinates","273741","2022-03-16","22:59:16",""
"7129864","10.336","0.003","10.907","0.003","11.626","0.003","117.746","0.012","101.702","0.016","100.621","0.016","1075.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C58 H38 N2 O4 -","2","1","","Hu, Hong; Li, Bin-Shi; Xu, Jing-Lei; Sun, Wei; Wang, Yong; Sun, Meng","Rh(III)-Catalyzed Spiroannulation of Ketimines with Cyclopropenones via Sequential C−H/C−C Bond Activation","Chemical Communications","2022","","","","","10.1039/D2CC00421F","","","0.71073","MoKα","","0.0658","0.0438","","","0.0986","0.1082","","","","","","1.013","","","","has coordinates","273754","2022-03-17","22:55:28",""
"7129865","12.9073","0.0005","13.2862","0.0005","17.5673","0.0006","94.342","0.003","95.063","0.003","93.514","0.003","2985.22","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H72 Co4 N8 S4 -","- C52 H72 Co4 N8 S4 -","- C104 H144 Co8 N16 S8 -","2","1","","Gillen , Jonathan; Moore, Connor; Vuong, My; Shajahan, Juvairia; Anstey, Mitchell Ryan; Alston, Jeffrey R.; Bejger, Christopher Michael","Synthesis and Disassembly of an Organometallic Polymer Comprising Redox-active Co4S4 Clusters and Janus Biscarbene Linkers","Chemical Communications","2022","","","","","10.1039/D2CC00953F","","x-ray","0.71073","MoKα","","0.0695","0.0416","","","0.0813","0.0958","","","","","","1.028","","","","has coordinates","273755","2022-03-17","22:56:02",""
"7129866","8.782","0.0003","9.2791","0.0003","11.502","0.0005","90","","94.287","0.003","90","","934.66","0.06","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 -","- C20 H30 N4 -","- C40 H60 N8 -","2","0.5","","Gillen , Jonathan; Moore, Connor; Vuong, My; Shajahan, Juvairia; Anstey, Mitchell Ryan; Alston, Jeffrey R.; Bejger, Christopher Michael","Synthesis and Disassembly of an Organometallic Polymer Comprising Redox-active Co4S4 Clusters and Janus Biscarbene Linkers","Chemical Communications","2022","","","","","10.1039/D2CC00953F","","x-ray","1.54184","CuKα","","0.0544","0.0394","","","0.0922","0.1017","","","","","","1.052","","","","has coordinates","273755","2022-03-17","22:56:03",""
"7129867","10.2597","0.0013","14.3246","0.0016","8.6454","0.0009","90","","91.87","0.004","90","","1269.9","0.3","140","2","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Kumar, Pravin; Kapur, Manmohan","Ruthenium-catalyzed oxidative coupling of vinylene carbonate with isoxazoles: access to fused anthranils.","Chemical communications (Cambridge, England)","2022","58","28","4476","4479","10.1039/d2cc01048h","","","0.71073","MoKα","","0.0475","0.0413","","","0.1075","0.1129","","","","","","1.026","","","","has coordinates","274955","2022-05-05","20:22:21",""
"7129868","10.2309","0.0001","30.6709","0.0002","32.1621","0.0003","81.021","0.001","83.878","0.001","87.77","0.001","9909.1","0.15","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C196 H209 N3 O6 -","- C196 H209 N3 O6 -","- C392 H418 N6 O12 -","2","1","","Chen, Yan; Zhou, Ruihu; Liu, Xinyue; Yang, Cao; Wang, Tingting; Shi, Fenghui; Zhang, Lei","π-Expanded triple [5]helicenes bearing dibenzocoronene monoimide subunits.","Chemical communications (Cambridge, England)","2022","58","29","4671","4674","10.1039/d2cc00957a","","x-ray","1.54184","CuKα","","0.1092","0.0908","","","0.2517","0.2668","","","","","","1.871","","","","has coordinates,has disorder","274945","2022-05-05","20:19:58",""
"7129869","9.04517","0.00012","24.0736","0.0003","36.4747","0.0005","90","","90","","90","","7942.36","0.18","100.01","0.1","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C99 H82 N6 O8 -","- C99 H82 N6 O8 -","- C396 H328 N24 O32 -","4","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0637","0.0592","","","0.1684","0.1738","","","","","","1.046","","","","has coordinates","273814","2022-03-18","22:55:11",""
"7129870","11.8341","0.0003","8.3172","0.0002","14.9538","0.0005","90","","98.765","0.003","90","","1454.66","0.07","100.01","0.1","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O5 -","- C39 H28 N2 O5 -","- C78 H56 N4 O10 -","2","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0526","0.0462","","","0.1214","0.1273","","","","","","1.023","","","","has coordinates,has disorder","273814","2022-03-18","22:55:12",""
"7129871","9.03641","0.00008","24.18309","0.00019","36.1172","0.0004","90","","90","","90","","7892.63","0.13","100.01","0.1","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C99 H80 N4 O10 -","- C99 H80 N4 O10 -","- C396 H320 N16 O40 -","4","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0653","0.0608","","","0.1746","0.1799","","","","","","1.04","","","","has coordinates","273814","2022-03-18","22:55:12",""
"7129872","8.83471","0.00017","11.9486","0.0003","15.9837","0.0004","69.204","0.002","78.6911","0.0018","75.309","0.002","1515.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C38 H25 N3 O6 -","- C38 H25 N3 O6 -","- C76 H50 N6 O12 -","2","2","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","x-ray","1.54184","CuKα","","0.0362","0.0354","","","0.0946","0.0957","","","","","","1.024","","","","has coordinates,has disorder","273814","2022-03-18","22:55:12",""
"7129873","6.8038","0.0011","8.816","0.0015","19.236","0.003","90","","97.296","0.002","90","","1144.5","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Shao, Rui; Zhao, Haixia; Ding, Shumin; Li, Lianjie; Chen, Chen; Wang, Jian; Shang, Yongjia","Silver-promoted dearomative [3 + 4] cycloaddition of anthranils with α‑isocyanoacetates: access to benzodiazepines","Chemical Communications","2022","","","","","10.1039/D2CC00807F","","","0.71073","MoKα","","0.1198","0.0645","","","0.152","0.1755","","","","","","1.034","","","","has coordinates","273815","2022-03-18","22:55:51",""
"7129874","11.8087","0.0009","17.2847","0.0012","14.4581","0.0009","90","","105.059","0.007","90","","2849.7","0.4","99.99","0.1","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H80 Cd4 F4 N6 O22 Sn4 -","- C36 H80 Cd4 F4 N6 O22 Sn4 -","- C72 H160 Cd8 F8 N12 O44 Sn8 -","2","0.5","","Wang, Di; Chen, Guang-Hui; Wang, San-Tai; Zhang, Jian; Zhang, Lei","Triethanolamine stabilized non-alkyl Sn4Cd4 and alkyl Sn2Cd12 oxo clusters with distinct electrocatalytic activities","Chemical Communications","2022","","","","","10.1039/D2CC00574C","","","1.3405","GaKα","","0.0885","0.0641","","","0.1742","0.1887","","","","","","1.019","","","","has coordinates,has disorder","273816","2022-03-18","22:56:34",""
"7129875","25.1808","0.0006","25.1808","0.0006","27.0021","0.0008","90","","90","","90","","17121.3","0.8","100","0.11","100","0.11","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C57 H114 Cd12 Cl4 N8 O29 Sn2 -","- C57 H114 Cd12 Cl4 N8 O29 Sn2 -","- C456 H912 Cd96 Cl32 N64 O232 Sn16 -","8","0.25","","Wang, Di; Chen, Guang-Hui; Wang, San-Tai; Zhang, Jian; Zhang, Lei","Triethanolamine stabilized non-alkyl Sn4Cd4 and alkyl Sn2Cd12 oxo clusters with distinct electrocatalytic activities","Chemical Communications","2022","","","","","10.1039/D2CC00574C","","","1.54184","CuKα","","0.0899","0.0858","","","0.221","0.2244","","","","","","1.076","","","","has coordinates,has disorder","273816","2022-03-18","22:56:35",""
"7129876","10.6396","0.0008","11.0916","0.0011","11.1581","0.0009","115.315","0.009","103.598","0.007","101.463","0.007","1087.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N O6 -","- C24 H20 Br N O6 -","- C48 H40 Br2 N2 O12 -","2","1","","Yang, Xifa; Zhang, Jing Jing; Zhang, Mengying; Lu, Mingxin; He, Yuhao; Li, Song; fan, liangxin; Zhang, Xinle; Wu, Jia-Kai","Synthesis of Polycyclic Spiropyrans via Rh(III)-Catalyzed Twofold C-H Annulation of 3-aryl-2H-benzo[b][1,4]oxazines with Diazo Ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00916A","","x-ray","1.54184","CuKα","","0.0664","0.049","","","0.126","0.1411","","","","","","1.037","","","","has coordinates","273817","2022-03-18","22:57:22",""
"7129877","8.4404","0.0007","13.221","0.0011","18.9283","0.0016","90","","90","","90","","2112.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 Cl N O6 -","- C24 Cl N O6 -","- C96 Cl4 N4 O24 -","4","1","","Yang, Xifa; Zhang, Jing Jing; Zhang, Mengying; Lu, Mingxin; He, Yuhao; Li, Song; fan, liangxin; Zhang, Xinle; Wu, Jia-Kai","Synthesis of Polycyclic Spiropyrans via Rh(III)-Catalyzed Twofold C-H Annulation of 3-aryl-2H-benzo[b][1,4]oxazines with Diazo Ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00916A","","","0.71073","MoKα","","0.0858","0.0658","","","0.1733","0.1862","","","","","","1.076","","","","has coordinates","273817","2022-03-18","22:57:23",""
"7129878","7.9796","0.0002","18.2987","0.0004","22.0157","0.0006","90","","90","","90","","3214.65","0.14","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O -","- C22 H18 O -","- C176 H144 O8 -","8","1","","Xin, Xiaolan; Liu, Yilin; Zhou, Lu; Li, You; Luo, Han; Liu, Lei; Bai, Ruopeng; Lan, Yu; Li, Baosheng","Regiospecific constructing m-alkenyl benzaldehyde from β-bromoenal and vinyl borate","Chemical Communications","2022","","","","","10.1039/D2CC01441F","","","0.71073","MoKα","","0.0761","0.0492","","","0.1114","0.1241","","","","","","1.069","","","","has coordinates","273827","2022-03-19","22:53:47",""
"7129879","10.679","0.0002","12.5659","0.0003","23.1366","0.0005","86.015","0.002","85.355","0.002","68.961","0.002","2885.51","0.11","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","RuC(ClO4)2","","- C27 H25 Cl2 N7 O8 Ru -","- C27 H25 Cl2 N7 O8 Ru -","- C108 H100 Cl8 N28 O32 Ru4 -","4","2","","Watanabe, Taito; Saga, Yutaka; Kosugi, Kento; Iwami, Hikaru; Kondo, Mio; Masaoka, Shigeyuki","Visible light-driven CO2 reduction with a Ru polypyridyl complex bearing an N-heterocyclic carbene moiety","Chemical Communications","2022","","","","","10.1039/D2CC00657J","","x-ray","0.71073","MoKα","","0.0538","0.0406","","","0.1","0.1057","","","","","","1.05","","","","has coordinates","273872","2022-03-21","22:55:16",""
"7129880","40.5571","0.0006","24.8192","0.0004","24.1742","0.0005","90","","90","","90","","24333.6","0.7","123","","123","","","","","","","","","5","F d d 2","F 2 -2d","43","","RuC(BPh4)2","","- C75 H65 B2 N7 Ru -","- C75 H65 B2 N7 Ru -","- C1200 H1040 B32 N112 Ru16 -","16","1","","Watanabe, Taito; Saga, Yutaka; Kosugi, Kento; Iwami, Hikaru; Kondo, Mio; Masaoka, Shigeyuki","Visible light-driven CO2 reduction with a Ru polypyridyl complex bearing an N-heterocyclic carbene moiety","Chemical Communications","2022","","","","","10.1039/D2CC00657J","","x-ray","0.71073","MoKα","","0.0683","0.0546","","","0.1257","0.1318","","","","","","1.052","","","","has coordinates","273872","2022-03-21","22:55:17",""
"7129881","24.6858","0.0007","14.8258","0.0006","30.0949","0.0009","90","","90","","90","","11014.3","0.6","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiCz-1","BiCz-1","","- C61 H73 Cl3 N2 -","- C61 H73 Cl3 N2 -","- C488 H584 Cl24 N16 -","8","1","","Shikita, So; Harada, Takunori; Yasuda, Takuma","Axially chiral 1,1’-bicarbazolyls with near-ultraviolet circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC00936F","","x-ray","1.54184","CuKα","","0.1055","0.0886","","","0.2845","0.2999","","","","","","1.214","","","","has coordinates","273873","2022-03-21","22:55:52",""
"7129882","17.6167","0.0006","4.4608","0.0002","18.2426","0.0006","90","","94.558","0.0019","90","","1429.05","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O5 -","- C16 H12 F2 O5 -","- C64 H48 F8 O20 -","4","1","","Zheng, Shasha; Smit, Wietse; Spannenberg, Anke; Tin, Sergey; de Vries, Johannes G.","Synthesis of α-keto aldehydes <i>via</i> selective Cu(I)-catalyzed oxidation of α-hydroxy ketones.","Chemical communications (Cambridge, England)","2022","58","29","4639","4642","10.1039/d2cc00773h","","","1.54178","CuKα","","0.0383","0.0333","","","0.0869","0.0914","","","","","","1.053","","","","has coordinates","274944","2022-05-05","20:19:44",""
"7129883","11.7534","0.0003","13.7503","0.0004","13.8861","0.0004","90","","101.298","0.003","90","","2200.68","0.11","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Cl N2 O3 -","- C27 H19 Cl N2 O3 -","- C108 H76 Cl4 N8 O12 -","4","1","","Han, Hua-Bin; Li, Chaoyang; Niu, Xin-Yue; Wang, Yuxia; Zhang, Wenjing; Wang, Qi-Lin","A combination of polarity reversal, Diels-Alder cycloaddition and skeletal remodeling to access pyridine fused nitrones","Chemical Communications","2022","","","","","10.1039/D2CC00155A","","x-ray","1.54184","CuKα","","0.0566","0.0482","","","0.1321","0.1427","","","","","","1.038","","","","has coordinates","273875","2022-03-21","22:56:52",""
"7129884","9.8911","0.0005","11.6189","0.0005","12.7499","0.0007","94.433","0.002","101.832","0.002","98.841","0.002","1408.1","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl3 I2 N2 O3 -","- C28 H19 Cl3 I2 N2 O3 -","- C56 H38 Cl6 I4 N4 O6 -","2","1","","Han, Hua-Bin; Li, Chaoyang; Niu, Xin-Yue; Wang, Yuxia; Zhang, Wenjing; Wang, Qi-Lin","A combination of polarity reversal, Diels-Alder cycloaddition and skeletal remodeling to access pyridine fused nitrones","Chemical Communications","2022","","","","","10.1039/D2CC00155A","","","0.71073","MoKα","","0.0595","0.0389","","","0.0778","0.09","","","","","","1.073","","","","has coordinates","273875","2022-03-21","22:56:52",""
"7129885","9.3924","0.0004","9.763","0.0004","19.6787","0.0007","92.407","0.003","98.52","0.003","108.808","0.004","1681.51","0.12","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 F3 N O -","- C22 H14 F3 N O -","- C88 H56 F12 N4 O4 -","4","2","","Jiang, Di; Jia, Jingpei; Wang, Baiquan; Li, Bin","Access to 5-Fluoroalkylated Trisubstituted Oxazoles via Copper-Catalyzed Cyclization of α-Fluoroalkyl-α-diazoketones with Amides","Chemical Communications","2022","","","","","10.1039/D2CC01057G","","x-ray","0.71073","MoKα","","0.1059","0.0613","","","0.1473","0.181","","","","","","1.059","","","","has coordinates,has disorder","273899","2022-03-22","22:54:15",""
"7129886","19.3769","0.0011","12.2278","0.0006","17.2662","0.001","90","","99.188","0.006","90","","4038.5","0.4","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F3 N O2 -","- C20 H22 F3 N O2 -","- C160 H176 F24 N8 O16 -","8","1","","Jiang, Di; Jia, Jingpei; Wang, Baiquan; Li, Bin","Access to 5-Fluoroalkylated Trisubstituted Oxazoles via Copper-Catalyzed Cyclization of α-Fluoroalkyl-α-diazoketones with Amides","Chemical Communications","2022","","","","","10.1039/D2CC01057G","","x-ray","0.71073","MoKα","","0.0829","0.0628","","","0.185","0.2033","","","","","","1.099","","","","has coordinates","273899","2022-03-22","22:54:15",""
"7129887","12.7413","0.0004","12.7413","0.0004","37.1305","0.0016","90","","90","","90","","6027.8","0.4","173","","173","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C17 H17 Cl O2 -","- C17 H17 Cl O2 -","- C272 H272 Cl16 O32 -","16","2","","Li, Jingjing; Ye, Jianxun; Zhou, Jiayu; Li, Jing; Liu, Delong; Zhang, Wanbin","RuPHOX-Ru Catalyzed Asymmetric Hydrogenation of α-Substituted Tetralones via a Dynamic Kinetic Resolution","Chemical Communications","2022","","","","","10.1039/D2CC01193J","","","1.54178","CuKα","","0.079","0.0706","","","0.2007","0.21","","","","","","1.098","","","","has coordinates,has disorder","273935","2022-03-23","22:55:34",""
"7129888","14.7343","0.0013","7.8467","0.0005","18.5969","0.0016","90","","107.975","0.009","90","","2045.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Yao, Qinglin; Liu, Boxiang; Cao, Tongxiang; Zhu, Shifa","Migratory Insertion of Copper-Allenylidene from Propargyl Ester","Chemical Communications","2022","","","","","10.1039/D2CC00681B","","x-ray","0.71073","MoKα","","0.0569","0.0417","","","0.0947","0.1048","","","","","","1.034","","","","has coordinates","273936","2022-03-23","22:55:57",""
"7129889","9.8537","0.0006","11.6155","0.0003","15.5263","0.0008","89.445","0.004","77.255","0.005","70.765","0.004","1632.7","0.15","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H37 N3 O -","- C44 H37 N3 O -","- C88 H74 N6 O2 -","2","1","","Kawanishi, Yasuki; Segawa, Yasutomo; Mutoh, Katsuya; Abe, Jiro; Kobayashi, Yoichi","Photochromic Carbazolyl-Imidazolyl Radical Complex","Chemical Communications","2022","","","","","10.1039/D2CC01196D","","x-ray","0.71073","MoKα","","0.0954","0.0607","","","0.1498","0.1683","","","","","","1.038","","","","has coordinates","273937","2022-03-23","22:56:19",""
"7129890","8.6297","0.0001","10.2148","0.0001","20.5342","0.0003","90","","90","","90","","1810.1","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-methyl 3-(naphthalen-2-yl)-3-((2S,3S)-2-nitro-2,3-dihydrobenzofuran-3-yl) propanoate","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Dyguda, Mateusz; Skrzynska, Anna; Sieroń, Lesław; Albrecht, Łukasz","Dearomative Michael addition involving enals and 2-nitrobenzofurans realized under NHC-catalysis","Chemical Communications","2022","","","","","10.1039/D2CC00294A","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0751","0.0754","","","","","","1.051","","","","has coordinates","274003","2022-03-25","22:53:40",""
"7129891","9.1788","0.0006","9.5316","0.0006","12.5301","0.0009","70.24","0.006","75.746","0.006","83.129","0.005","999.13","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C52 H44 N4 -","2","1","","YAO, HUI; Zhou, Meijuan; Yu, Xiaolong; Bai, Ming","Effect of solvation on aggregation-induced luminescence of tetraphenylethene derivatives","Chemical Communications","2022","","","","","10.1039/D2CC00722C","","","1.54184","CuKα","","0.066","0.0586","","","0.1708","0.1812","","","","","","1.044","","","","has coordinates","274004","2022-03-25","22:54:03",""
"7129892","29.659","0.0004","29.659","0.0004","20.6874","0.0012","90","","90","","120","","15759.8","1","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C90 H60 Co2 N27 -","- C90 H60 Co2 N27 -","- C270 H180 Co6 N81 -","3","0.166667","","Feng, Ying; Zou, Ming-Yan; Hu, Hao-Chen; Li, Wan-Han; Cai, Songliang; Zhang, Wei-Guang; Zheng, Sheng-Run","Amorphous metal-organic frameworks obtained from a crystalline precursor for the capture of iodine with high capacities","Chemical Communications","2022","","","","","10.1039/D1CC07229C","","x-ray","1.54178","CuKα","","0.0906","0.0697","","","0.1969","0.2186","","","","","","0.999","","","","has coordinates","274005","2022-03-25","22:54:27",""
"7129893","10.1782","0.0002","12.5203","0.0003","19.0389","0.0005","90","","90","","90","","2426.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","","Braddock, D. Christopher; Limpaitoon, Natnicha; Oliwa, Krzysztof; O'Reilly, Daniel; Rzepa, Henry S.; White, Andrew J. P.","A stereoselective hydride transfer reaction with contributions from attractive dispersion force control.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc01136k","","","0.71073","MoKα","","0.0479","0.0384","","","0.0798","0.0846","","","","","","1.038","","","","has coordinates","274006","2022-03-25","22:55:02",""
"7129894","10.8776","0.0007","14.0655","0.0013","18.9337","0.0013","95.71","0.007","103.58","0.006","93.738","0.006","2790.1","0.4","169.99","0.14","169.99","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N2 O4 -","- C36 H34 N2 O4 -","- C144 H136 N8 O16 -","4","2","","Chen, Liangliang; Wu, Botao; Qin, Liyuan; Huang, Yan-Ying; Meng, Wei; Kong, Ruirui; Yu, Xiaobo; ChenChai, Kaiyuan; Li, Cheng; Zhang, Guanxin; Zhang, Xisha; Zhang, Deqing","Perylene Five-membered Ring Diimide for Organic Semiconductors and π-Expanded Conjugated Molecules","Chemical Communications","2022","","","","","10.1039/D2CC01061E","","x-ray","1.54184","CuKα","","0.1966","0.1411","","","0.3237","0.3799","","","","","","1.167","","","","has coordinates,has disorder","274007","2022-03-25","22:55:57",""
"7129895","24.4426","0.001","17.7385","0.0005","7.0866","0.0002","90","","92.811","0.003","90","","3068.88","0.18","169.99","0.15","169.99","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37.97 H32.53 N4 O4 -","- C37.97 H32.53 N4 O4 -","- C151.88 H130.12 N16 O16 -","4","1","","Chen, Liangliang; Wu, Botao; Qin, Liyuan; Huang, Yan-Ying; Meng, Wei; Kong, Ruirui; Yu, Xiaobo; ChenChai, Kaiyuan; Li, Cheng; Zhang, Guanxin; Zhang, Xisha; Zhang, Deqing","Perylene Five-membered Ring Diimide for Organic Semiconductors and π-Expanded Conjugated Molecules","Chemical Communications","2022","","","","","10.1039/D2CC01061E","","x-ray","1.54184","CuKα","","0.0773","0.0564","","","0.1529","0.1687","","","","","","1.04","","","","has coordinates,has disorder","274007","2022-03-25","22:55:58",""
"7129896","40.9622","0.001","10.7321","0.0002","39.9989","0.001","90","","114.469","0.003","90","","16004.6","0.7","169.99","0.14","169.99","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H87 N3 O6 -","- C96 H87 N3 O6 -","- C768 H696 N24 O48 -","8","1","","Chen, Liangliang; Wu, Botao; Qin, Liyuan; Huang, Yan-Ying; Meng, Wei; Kong, Ruirui; Yu, Xiaobo; ChenChai, Kaiyuan; Li, Cheng; Zhang, Guanxin; Zhang, Xisha; Zhang, Deqing","Perylene Five-membered Ring Diimide for Organic Semiconductors and π-Expanded Conjugated Molecules","Chemical Communications","2022","","","","","10.1039/D2CC01061E","","x-ray","1.54184","CuKα","","0.13","0.0737","","","0.1928","0.2267","","","","","","1.028","","","","has coordinates,has disorder","274007","2022-03-25","22:55:58",""
"7129897","9.191","0.0004","9.2332","0.0005","12.5455","0.0007","70.147","0.005","73.252","0.004","86.127","0.004","958.35","0.09","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 B2 O2 -","- C26 H16 B2 O2 -","- C52 H32 B4 O4 -","2","1","","Tsukada, Tetsuyoshi; Shoji, Yoshiaki; Takenouchi, Kumiko; Taka, Hideo; Fukushima, Takanori","A carbon-functionality-appended diborylacetylene available for a component of organic synthesis and OLEDs","Chemical Communications","2022","","","","","10.1039/D2CC01159J","","x-ray","1.54184","CuKα","","0.039","0.0358","","","0.0948","0.097","","","","","","1.053","","","","has coordinates","274020","2022-03-26","22:54:14",""
"7129898","9.2258","0.0004","12.6088","0.0004","12.6939","0.0004","99.675","0.003","92.194","0.003","102.399","0.003","1417.43","0.09","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 B2 Co2 O8 -","- C32 H16 B2 Co2 O8 -","- C64 H32 B4 Co4 O16 -","2","1","","Tsukada, Tetsuyoshi; Shoji, Yoshiaki; Takenouchi, Kumiko; Taka, Hideo; Fukushima, Takanori","A carbon-functionality-appended diborylacetylene available for a component of organic synthesis and OLEDs","Chemical Communications","2022","","","","","10.1039/D2CC01159J","","x-ray","1.54184","CuKα","","0.082","0.0696","","","0.1809","0.1959","","","","","","1.033","","","","has coordinates","274020","2022-03-26","22:54:19",""
"7129899","17.122","0.0006","9.1966","0.0004","21.6026","0.0008","90","","108.556","0.004","90","","3224.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 B3 Cl4 O2 -","- C39 H25 B3 Cl4 O2 -","- C156 H100 B12 Cl16 O8 -","4","1","","Tsukada, Tetsuyoshi; Shoji, Yoshiaki; Takenouchi, Kumiko; Taka, Hideo; Fukushima, Takanori","A carbon-functionality-appended diborylacetylene available for a component of organic synthesis and OLEDs","Chemical Communications","2022","","","","","10.1039/D2CC01159J","","x-ray","1.54184","CuKα","","0.0676","0.0568","","","0.1662","0.1745","","","","","","1.13","","","","has coordinates","274020","2022-03-26","22:54:31",""
"7129900","30.1401","0.001","9.6025","0.0004","23.4611","0.0008","90","","92.593","0.001","90","","6783.2","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide","","","- C16 H17 Cl N3 O3.5 S -","- C16 H17 Cl N3 O3.5 S -","- C256 H272 Cl16 N48 O56 S16 -","16","4","","Evans, Caitlin L.; Evans, Ivana Radosavlijević; Hodgkinson, Paul","Resolving alternative structure determinations of indapamide using 13C solid-state NMR","Chemical Communications","2022","","","","","10.1039/D1CC06256E","","x-ray","0.71073","MoKα","","0.117","0.0842","","","0.1927","0.208","","","","","","1.127","","","","has coordinates","274051","2022-03-28","21:54:18",""
"7129901","9.5572","0.0006","12.2819","0.001","12.4294","0.0006","101.237","0.006","99.446","0.005","110.609","0.007","1295.68","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Hall, Christopher J. J.; Marriott, Indi S.; Christensen, Kirsten E.; Day, Aaron J.; Goundry, William R. F.; Donohoe, Timothy J.","Extension of hydrogen borrowing alkylation reactions for the total synthesis of (−)-γ-lycorane","Chemical Communications","2022","","","","","10.1039/D2CC01248K","","","1.5418","CuKα","","0.0839","0.0677","","0.2172","0.1975","0.2172","","","","","","0.994","","","","has coordinates","274089","2022-03-29","21:52:34",""
"7129902","16.2936","0.0003","21.0583","0.0004","17.2056","0.0003","90","","103.822","0.0009","90","","5732.56","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76.5 H65.5 N0.5 O -","- C76 H64 -","- C304 H256 -","4","1","","Zhou, Zheng; Zhu, Yikun; Fernández-García, Jesús M.; Wei, Zheng; Fernández, Israel; Petrukhina, Marina A.; Martín, Nazario","Stepwise reduction of a corannulene-based helical molecular nanographene with Na metal","Chemical Communications","2022","","","","","10.1039/D2CC00971D","","","1.54178","CuKα","","0.1226","0.0793","","","0.1997","0.231","","","","","","1.009","","","","has coordinates,has disorder","274129","2022-03-30","21:54:23",""
"7129903","16.9258","0.0009","16.9445","0.0008","17.933","0.0009","105.978","0.001","93.639","0.001","102.35","0.001","4788.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C111 H135 Na2 O14 -","- C108 H128 Na2 O14 -","- C216 H256 Na4 O28 -","2","1","","Zhou, Zheng; Zhu, Yikun; Fernández-García, Jesús M.; Wei, Zheng; Fernández, Israel; Petrukhina, Marina A.; Martín, Nazario","Stepwise reduction of a corannulene-based helical molecular nanographene with Na metal","Chemical Communications","2022","","","","","10.1039/D2CC00971D","","x-ray","0.61992","synchrotron","","0.1083","0.0977","","","0.3173","0.3347","","","","","","1.463","","","","has coordinates,has disorder","274129","2022-03-30","21:54:24",""
"7129904","4.6945","0.0002","9.6477","0.0003","33.0272","0.0009","90","","90","","90","","1495.84","0.09","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","1","","Zhang, Yue; Lei, Bin; Zhang, Xin","Reversible, controllable white-light emission of dye systems by dynamic covalent furan moiety exchanges","Chemical Communications","2022","","","","","10.1039/D2CC01309F","","x-ray","0.71073","MoKα","","0.0584","0.0489","","","0.1178","0.1269","","","","","","1.038","","","","has coordinates","274130","2022-03-30","21:55:16",""
"7129905","8.2348","0.0003","9.0936","0.0004","12.7865","0.0004","90","","94.996","0.003","90","","953.87","0.06","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C52 H38 N2 O8 -","2","1","","Zhang, Yue; Lei, Bin; Zhang, Xin","Reversible, controllable white-light emission of dye systems by dynamic covalent furan moiety exchanges","Chemical Communications","2022","","","","","10.1039/D2CC01309F","","x-ray","0.71073","MoKα","","0.0462","0.0418","","","0.1002","0.1053","","","","","","1.061","","","","has coordinates,has disorder","274130","2022-03-30","21:55:16",""
"7129906","7.0423","0.0014","8.8382","0.0013","17.048","0.003","90","","90","","90","","1061.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Solanke, Pooja R.; Cinsani, Radhika; Nayani, Kiranmai; Mainkar, Prathama S.; Chandrasekhar, Srivari","Quaternary Carbon Construction through Piancatelli Rearrangement: Easy Access to Spirocyclopentenones","Chemical Communications","2022","","","","","10.1039/D2CC00050D","","","0.71073","MoKα","","0.0963","0.0636","","","0.126","0.1375","","","","","","1.117","","","","has coordinates","274131","2022-03-30","21:56:06",""
"7129907","6.574","0.0007","8.6042","0.0006","14.8471","0.0008","102.836","0.003","101.585","0.008","99.182","0.009","783.6","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Solanke, Pooja R.; Cinsani, Radhika; Nayani, Kiranmai; Mainkar, Prathama S.; Chandrasekhar, Srivari","Quaternary Carbon Construction through Piancatelli Rearrangement: Easy Access to Spirocyclopentenones","Chemical Communications","2022","","","","","10.1039/D2CC00050D","","","0.71073","MoKα","","0.0852","0.0451","","","0.1211","0.1393","","","","","","1.012","","","","has coordinates","274131","2022-03-30","21:56:09",""
"7129908","16.8069","0.0004","17.5647","0.0004","20.378","0.0005","90","","90","","90","","6015.8","0.2","120","2","120.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H68 Cl4 Cu4 N16 O24 -","- C48 H68 Cl4 Cu4 N16 O24 -","- C192 H272 Cl16 Cu16 N64 O96 -","4","1","","Martínez-Camarena, Álvaro; Merino, Marián; Sánchez Sánchez, Ana Virginia; Blasco, Salvador; Llinares, Jose Miguel; Mullor, José Luis; García-España, Enrique","An antioxidant boehmite amino-nanozyme able to disaggregate Huntington’s inclusion bodies","Chemical Communications","2022","","","","","10.1039/D2CC01257J","","","0.71073","MoKα","","0.1244","0.0556","","","0.1181","0.1547","","","","","","1.015","","","","has coordinates","274132","2022-03-30","21:56:54",""
"7129909","13.882","0.001","55.671","0.004","17.1632","0.0012","90","","91.325","0.002","90","","13260.6","1.6","153","2","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H95 F8 I4 N12 -","- C108 H95 F8 I4 N12 -","- C432 H380 F32 I16 N48 -","4","1","","Nieland, Esther; Komisarek, Daniel; Hohloch, Stephan; Wurst, Klaus; Vasylyeva, Vera; Weingart, Oliver; Schmidt, Bernd M.","Supramolecular Networks by Imine Halogen Bonding","Chemical Communications","2022","","","","","10.1039/D2CC00799A","","","0.71073","MoKα","","0.1267","0.0973","","","0.2526","0.2724","","","","","","1.036","","","","has coordinates","274133","2022-03-30","21:58:04",""
"7129910","14.6891","0.0004","15.0515","0.0002","15.8495","0.0004","96.972","0.002","106.882","0.002","91.054","0.002","3323.09","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H49 Cl3 F8 I4 N6 -","- C61 H49 Cl3 F8 I4 N6 -","- C122 H98 Cl6 F16 I8 N12 -","2","1","","Nieland, Esther; Komisarek, Daniel; Hohloch, Stephan; Wurst, Klaus; Vasylyeva, Vera; Weingart, Oliver; Schmidt, Bernd M.","Supramolecular Networks by Imine Halogen Bonding","Chemical Communications","2022","","","","","10.1039/D2CC00799A","","","0.71073","MoKα","","0.0663","0.0559","","","0.1598","0.1668","","","","","","1.018","","","","has coordinates,has disorder","274133","2022-03-30","21:58:05",""
"7129911","12.0972","0.0018","15.049","0.003","15.5995","0.0018","116.465","0.005","108.72","0.005","90.484","0.007","2369.1","0.7","153","2","153","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H52 F5 I N6 O -","- C55 H52 F5 I N6 O -","- C110 H104 F10 I2 N12 O2 -","2","1","","Nieland, Esther; Komisarek, Daniel; Hohloch, Stephan; Wurst, Klaus; Vasylyeva, Vera; Weingart, Oliver; Schmidt, Bernd M.","Supramolecular Networks by Imine Halogen Bonding","Chemical Communications","2022","","","","","10.1039/D2CC00799A","","","0.71073","MoKα","","0.0528","0.0365","","","0.0741","0.0793","","","","","","1.053","","","","has coordinates,has disorder","274133","2022-03-30","21:58:05",""
"7129912","15.1876","0.0003","15.3098","0.0002","23.9698","0.0004","89.922","0.001","85.674","0.001","60.309","0.002","4823.73","0.17","99.98","0.16","99.98","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 F12 I12 N6 -","- C72 H48 F12 I12 N6 -","- C144 H96 F24 I24 N12 -","2","1","","Nieland, Esther; Komisarek, Daniel; Hohloch, Stephan; Wurst, Klaus; Vasylyeva, Vera; Weingart, Oliver; Schmidt, Bernd M.","Supramolecular Networks by Imine Halogen Bonding","Chemical Communications","2022","","","","","10.1039/D2CC00799A","","","0.71073","MoKα","","0.0504","0.0393","","","0.0837","0.0875","","","","","","1.081","","","","has coordinates","274133","2022-03-30","21:58:05",""
"7129913","13.4901","0.0009","9.8844","0.0007","15.6641","0.0011","90","","104.766","0.002","90","","2019.7","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Saha, Debarshi; Taily, Irshad Maajid; Banerjee, Nakshatra; Banerjee, Prabal","Electricity mediated [3+2]-cycloaddition of N-sulfonylcyclopropanes with olefins via N-centered radical intermediates: access to cyclopentane analogs","Chemical Communications","2022","","","","","10.1039/D2CC00761D","","x-ray","0.71073","MoKα","","0.0567","0.0461","","","0.1135","0.1201","","","","","","1.048","","","","has coordinates","274134","2022-03-30","21:58:45",""
"7129914","15.4139","0.0012","8.4945","0.0006","17.2042","0.0015","90","","112.732","0.002","90","","2077.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Saha, Debarshi; Taily, Irshad Maajid; Banerjee, Nakshatra; Banerjee, Prabal","Electricity mediated [3+2]-cycloaddition of N-sulfonylcyclopropanes with olefins via N-centered radical intermediates: access to cyclopentane analogs","Chemical Communications","2022","","","","","10.1039/D2CC00761D","","","0.71073","MoKα","","0.0764","0.0503","","","0.1224","0.1393","","","","","","1.033","","","","has coordinates","274134","2022-03-30","21:58:46",""
"7129915","4.9756","0.0002","7.2308","0.0002","57.2041","0.0019","90","","92.384","0.003","90","","2056.28","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl4 N O2 -","- C20 H25 Cl4 N O2 -","- C80 H100 Cl16 N4 O8 -","4","1","","Kusumoto, Sotaro; Suzuki, Ryo; Tachibana, Masaru; Sekine, Yoshihiro; Kim, Yang; Hayami, Shinya","Recrystallization solvent-dependent elastic/plastic flexibility of an <i>n</i>-dodecyl-substituted tetrachlorophthalimide.","Chemical communications (Cambridge, England)","2022","58","35","5411","5414","10.1039/d2cc00663d","","x-ray","0.71073","MoKα","","0.0715","0.0629","","","0.1278","0.1301","","","","","","1.219","","","","has coordinates","274942","2022-05-05","20:19:09",""
"7129916","4.9963","0.0004","5.9993","0.0004","36.274","0.002","90.695","0.005","90.006","0.006","105.259","0.006","1048.87","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl4 N O2 -","- C20 H25 Cl4 N O2 -","- C40 H50 Cl8 N2 O4 -","2","1","","Kusumoto, Sotaro; Suzuki, Ryo; Tachibana, Masaru; Sekine, Yoshihiro; Kim, Yang; Hayami, Shinya","Recrystallization solvent-dependent elastic/plastic flexibility of an <i>n</i>-dodecyl-substituted tetrachlorophthalimide.","Chemical communications (Cambridge, England)","2022","58","35","5411","5414","10.1039/d2cc00663d","","","0.71073","MoKα","","0.0915","0.0844","","","0.2228","0.2257","","","","","","1.24","","","","has coordinates","274942","2022-05-05","20:19:11",""
"7129917","26.9","0.02","36.4","0.02","53.2","0.02","90","","90","","90","","52091","5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Perguanidino-gamma-Cyclodextrin","Perguanidino-gamma-Cyclodextrin","","- C112 H249.64 N50 O112.32 P9 -","- C112 H203 N49 O94.72 P4.6 -","- C896 H1624 N392 O757.76 P36.8 -","8","1","","Saridakis, Emmanuel; Kasimati, Eleni Marina; Yannakopoulou, Konstantina; Mavridis, Irene M.","A guanidino-γ-cyclodextrin superdimer generates a twin receptor for phosphate dimers assembled by anti-electrostatic hydrogen bonds","Chemical Communications","2022","","","","","10.1039/D2CC00323F","","","0.912","SYNCHROTRON","","0.1397","0.129","","","0.3187","0.3299","","","","","","2.386","","","","has coordinates,has disorder","274213","2022-04-01","21:53:14",""
"7129918","16.654","0.0004","27.2393","0.0008","27.6288","0.0006","90","","103.416","0.002","90","","12191.6","0.5","150","2","150","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C54 H140 Cu2 Ge18 N4 Si16 -","- C54 H140 Cu2 Ge18 N4 Si16 -","- C216 H560 Cu8 Ge72 N16 Si64 -","4","0.5","","Wallach, Chistoph; Klein, Wilhelm; Fässler, Thomas F","Oxidative Coupling of Silylated Nonagermanide Clusters","Chemical Communications","2022","","","","","10.1039/D2CC01250B","","","0.71073","MoKα","","0.0546","0.0311","","","0.0689","0.0818","","","","","","1.134","","","","has coordinates,has disorder","274328","2022-04-04","21:53:52",""
"7129919","32.3438","0.0003","32.3438","0.0003","18.034","0.00019","90","","90","","120","","16338.2","0.3","100","2","100.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H96 Cu24 F72 O72 -","- C204 H96 Cu24 F72 O72 -","- C612 H288 Cu72 F216 O216 -","3","0.166667","","Guo, You-Shi; Zhan, Shun-Ze; Zhong, Jia-Jing; Lu, Weigang; Ng, Seik Weng; Li, Dan","Regioisomeric Core-shell Cuprofullerene C60@Cu24","Chemical Communications","2022","","","","","10.1039/D2CC00683A","","","1.54184","CuKα","","0.0445","0.0411","","","0.121","0.1237","","","","","","1.04","","","","has coordinates","274329","2022-04-04","21:54:50",""
"7129920","17.0534","0.0003","17.7446","0.0004","18.0961","0.0004","64.831","0.002","74.884","0.002","74.914","0.002","4714.17","0.19","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H78 Cu34 F30 O78 S14 -","- C150 H78 Cu34 F30 O78 S14 -","- C150 H78 Cu34 F30 O78 S14 -","1","0.5","","Guo, You-Shi; Zhan, Shun-Ze; Zhong, Jia-Jing; Lu, Weigang; Ng, Seik Weng; Li, Dan","Regioisomeric Core-shell Cuprofullerene C60@Cu24","Chemical Communications","2022","","","","","10.1039/D2CC00683A","","","1.54184","CuKα","","0.0659","0.0517","","","0.1357","0.1445","","","","","","1.052","","","","has coordinates,has disorder","274329","2022-04-04","21:54:50",""
"7129921","17.0045","0.0003","19.5007","0.0004","24.9159","0.0006","90","","91.855","0.002","90","","8257.8","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H60 Cu32 F36 O72 S12 -","- C139 H60 Cu32 F36 O72 S12 -","- C278 H120 Cu64 F72 O144 S24 -","2","0.5","","Guo, You-Shi; Zhan, Shun-Ze; Zhong, Jia-Jing; Lu, Weigang; Ng, Seik Weng; Li, Dan","Regioisomeric Core-shell Cuprofullerene C60@Cu24","Chemical Communications","2022","","","","","10.1039/D2CC00683A","","","1.54184","CuKα","","0.0752","0.0643","","","0.1822","0.1926","","","","","","1.056","","","","has coordinates,has disorder","274329","2022-04-04","21:54:51",""
"7129922","22.2621","0.001","22.2426","0.0009","20.7463","0.0009","90","","109.053","0.002","90","","9710.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108.64 H105.96 N18 O3.16 Ru4 -","- C108.644 H105.962 N18 O3.161 Ru4 -","- C434.576 H423.848 N72 O12.644 Ru16 -","4","1","","Miller-Clark, Lyndsy A; Raghavan, Adharsh; Clendening, Reese; Ren, Tong","Phenylene as an Efficient Mediator for Intermetallic Electronic Coupling","Chemical Communications","2022","","","","","10.1039/D2CC00949H","","","1.54178","CuKα","","0.0457","0.0397","","","0.1016","0.1063","","","","","","1.028","","","","has coordinates,has disorder","274330","2022-04-04","21:56:03",""
"7129923","11.8877","0.0005","20.4352","0.0009","19.6259","0.0009","90","","101.099","0.0018","90","","4678.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H102 N18 O2 Ru4 -","- C111 H102 N18 O2 Ru4 -","- C222 H204 N36 O4 Ru8 -","2","0.5","","Miller-Clark, Lyndsy A; Raghavan, Adharsh; Clendening, Reese; Ren, Tong","Phenylene as an Efficient Mediator for Intermetallic Electronic Coupling","Chemical Communications","2022","","","","","10.1039/D2CC00949H","","","0.71073","MoKα","","0.0403","0.0292","","","0.0671","0.0744","","","","","","1.075","","","","has coordinates,has disorder","274330","2022-04-04","21:56:04",""
"7129924","9.0023","0.0009","12.4729","0.0013","16.0823","0.0015","90","","90.973","0.002","90","","1805.5","0.3","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C92 H76 N4 O12 S4 -","4","1","","Zhai, Yu-Lin; Zhou, Hui; Liu, Qing-Quan; Leng, Bo-Rong; Zhang, Zixian; Li, Jia-Zhuo; Wang, De-Cai; Zhu, Yi-Long","Photocatalytic Markovnikov-type addition and cyclization of terminal alkynes leading to 4-sulfonyl quinoline-2(1H)-ones","Chemical Communications","2022","","","","","10.1039/D2CC01169G","","","0.71073","MoKα","","0.088","0.058","","","0.1426","0.1562","","","","","","1.039","","","","has coordinates","274331","2022-04-04","21:56:43",""
"7129925","5.1151","0.0004","10.238","0.0007","10.7004","0.0008","61.559","0.002","86.409","0.002","78.824","0.002","483.1","0.06","195","2","195","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 Br O4 -","- C10 H6 Br O4 -","- C20 H12 Br2 O8 -","2","1","","Nie, Zhuang; Liu, Song; Wang, Tonglin; Shen, Zhanhong; Nie, Huifang; Xi, Jiayue; Zhang, Dongxu; Zheng, Xiao Hui; Zhang, Shengyong; Yao, Lin","Facile access to chiral chromanone-2-carboxylic acids enabled by Rhodium-catalyzed chemo- and enantioselective hydrogenation","Chemical Communications","2022","","","","","10.1039/D2CC00589A","","","1.34139","GaKα","","0.0624","0.0623","","","0.1685","0.1685","","","","","","1.274","","","","has coordinates,has disorder","274355","2022-04-05","22:02:35",""
"7129926","12.4217","0.0016","5.7877","0.0007","12.7894","0.0017","90","","104.031","0.004","90","","892","0.2","200","","200","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","2","","Nie, Zhuang; Liu, Song; Wang, Tonglin; Shen, Zhanhong; Nie, Huifang; Xi, Jiayue; Zhang, Dongxu; Zheng, Xiao Hui; Zhang, Shengyong; Yao, Lin","Facile access to chiral chromanone-2-carboxylic acids enabled by Rhodium-catalyzed chemo- and enantioselective hydrogenation","Chemical Communications","2022","","","","","10.1039/D2CC00589A","","","1.34139","GaKα","","0.029","0.0276","","","0.0703","0.0712","","","","","","1.05","","","","has coordinates","274355","2022-04-05","22:02:37",""
"7129927","8.987","0.004","8.987","0.004","28.74","0.04","90","","90","","90","","2321","4","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H19 F2 N Sn -","- C10 H18.9999 F1.9998 N Sn -","- C80 H151.999 F15.9984 N8 Sn8 -","8","1","","Miele, Margherita; Castoldi, Laura; Simeone, Xenia; Holzer, Wolfgang; Pace, Vittorio","Straightforward Synthesis of Bench-Stable Heteroatom-Centered Difluoromethylated Entities via the Controlled Nucleophilic Transfer from Activated TMSCHF2","Chemical Communications","2022","","","","","10.1039/D2CC00886F","","x-ray","1.54186","CuKα","","0.0383","0.0344","","","0.0852","0.0874","","","","","","1.086","","","","has coordinates,has disorder","274356","2022-04-05","22:03:23",""
"7129928","9.4404","0.0002","9.7492","0.0002","18.7631","0.0004","78.2253","0.0017","84.6029","0.001","79.0665","0.0009","1657.11","0.06","140","","140","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 F2 Sn -","- C19 H16 F2 Sn -","- C76 H64 F8 Sn4 -","4","2","","Miele, Margherita; Castoldi, Laura; Simeone, Xenia; Holzer, Wolfgang; Pace, Vittorio","Straightforward Synthesis of Bench-Stable Heteroatom-Centered Difluoromethylated Entities via the Controlled Nucleophilic Transfer from Activated TMSCHF2","Chemical Communications","2022","","","","","10.1039/D2CC00886F","","","0.71073","MoKα","","0.0482","0.0317","","","0.0722","0.0764","","","","","","1.08","","","","has coordinates","274356","2022-04-05","22:03:24",""
"7129929","20.1117","0.0007","35.1137","0.001","36.6942","0.0013","90","","97.253","0.003","90","","25706","1.5","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb -","- C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb -","- C816 H696 Au52 Cl96 Cu8 F24 P32 S24 Sb4 -","4","1","","Li, Hao; Zhou, Chuanjun; Wang, Endong; Kang, Xi; Xu, Wen Wu; Zhu, Manzhou","An insight, at the atomic level, into the intramolecular metallophilic interaction in nanoclusters","Chemical Communications","2022","","","","","10.1039/D2CC00987K","","x-ray","1.54186","CuKα","","0.0713","0.0438","","","0.1073","0.1169","","","","","","0.884","","","","has coordinates","274357","2022-04-05","22:04:03",""
"7129930","17.8884","0.0017","17.8884","0.0017","12.8853","0.0013","90","","90","","120","","3570.8","0.6","90","2","90","2","","","","","","","","8","P 63","P 6c","173","","","","- C41 H77 Ca Cu6 N6 O33 S6 V -","- C40.9998 H48 Ca Cu6 N6 O30.9996 S6 V0.9999 -","- C81.9996 H96 Ca2 Cu12 N12 O61.9992 S12 V1.9998 -","2","0.333333","","Negro, Cristina; Bilanin Artigado, Cristina; Qu, Xiaoni; Oliver-Meseguer, Judit; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio","Epoxidation vs. dehydrogenation of allylic alcohols: Heterogenization of the VO(acac)2 catalyst in a metal-organic framework","Chemical Communications","2022","","","","","10.1039/D2CC01137A","","","0.71073","MoKα","","0.1332","0.0775","","","0.2076","0.2493","","","","","","1.03","","","","has coordinates","274401","2022-04-06","21:53:14",""
"7129931","15.847","0.003","15.797","0.003","23.662","0.005","90","","90","","90","","5923","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O -","- C15 H23 N3 O -","- C240 H368 N48 O16 -","16","2","","Tanaka, Katsumasa; Hattori, Hiroshi; Yabe, Ryota; Nishimura, Takahiro","Ir-catalyzed cyclization of α,ω-dienes with an N-methyl group via two C–H activation steps","Chemical Communications","2022","","","","","10.1039/D2CC01275H","","","0.7107","MoKα","","0.0966","0.085","","","0.2246","0.2361","","","","","","1.005","","","","has coordinates,has disorder","274402","2022-04-06","21:54:12",""
"7129932","7.764","0.003","15.357","0.005","18.436","0.006","90","","90","","90","","2198.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O S -","- C25 H29 N3 O S -","- C100 H116 N12 O4 S4 -","4","1","","Tanaka, Katsumasa; Hattori, Hiroshi; Yabe, Ryota; Nishimura, Takahiro","Ir-catalyzed cyclization of α,ω-dienes with an N-methyl group via two C–H activation steps","Chemical Communications","2022","","","","","10.1039/D2CC01275H","","","0.710747","MoKα","","0.042","0.0367","","","0.0774","0.0802","","","","","","0.994","","","","has coordinates","274402","2022-04-06","21:54:12",""
"7129933","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig A.; Kociok-Köhn, Gabriele; Buchard, Antoine","UV degradation of poly(lactic acid) materials through copolymerisation with a sugar-derived cyclic xanthate","Chemical Communications","2022","","","","","10.1039/D2CC01322C","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","274403","2022-04-06","21:54:39",""
"7129934","7.21864","0.00013","10.512","0.0002","22.0152","0.0004","90","","90","","90","","1670.56","0.05","293.2","0.3","293.2","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","x-ray","1.54184","CuKα","","0.0687","0.0654","","","0.1571","0.1634","","","","","","1.058","","","","has coordinates","274431","2022-04-08","21:54:59",""
"7129935","9.2049","0.0005","9.666","0.0005","12.7809","0.0006","90","","96.97","0.002","90","","1128.77","0.1","150","2","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","1.54178","CuKα","","0.0403","0.0401","","","0.0981","0.0983","","","","","","1.089","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129936","10.1467","0.0005","6.1824","0.0002","15.3256","0.0006","90","","106.402","0.002","90","","922.26","0.07","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C42 H40 N4 O6 S2 -","2","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","0.71073","MoKα","","0.0467","0.035","","","0.0802","0.0851","","","","","","1.034","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129937","8.2297","0.0003","9.0042","0.0003","22.3918","0.0008","90","","88.206","0.002","90","","1658.46","0.1","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","2","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","","1.54178","CuKα","","0.0374","0.0351","","","0.085","0.0868","","","","","","1.05","","","","has coordinates","274431","2022-04-08","21:55:00",""
"7129938","11.1975","0.0005","17.765","0.0008","13.502","0.0006","90","","96.456","0.002","90","","2668.8","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F N2 O5 -","- C31 H32 F N2 O5 -","- C124 H128 F4 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.0681","0.0489","","","0.1221","0.1349","","","","","","1.031","","","","has coordinates","274432","2022-04-08","21:56:47",""
"7129939","11.7664","0.0008","11.2033","0.0008","21.4616","0.0016","90","","96.3","0.003","90","","2812","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 F2 N2 O5 -","- C31 H32 F2 N2 O5 -","- C124 H128 F8 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.0711","0.0575","","","0.1506","0.1598","","","","","","1.045","","","","has coordinates","274432","2022-04-08","21:56:48",""
"7129940","10.76","0.003","24.632","0.009","11.501","0.004","90","","116.48","0.01","90","","2728.4","1.6","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 F3 N2 O5 -","- C31 H29 F3.0012 N2 O5 -","- C124 H116 F12.0048 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.127","0.0647","","","0.1385","0.1694","","","","","","1.025","","","","has coordinates","274432","2022-04-08","21:56:48",""
"7129941","11.3702","0.0005","19.8859","0.0008","12.9822","0.0006","90","","100.236","0.002","90","","2888.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 F4 N2 O5 -","- C31 H29 F4 N2 O5 -","- C124 H116 F16 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.1313","0.0702","","","0.1435","0.1633","","","","","","1.116","","","","has coordinates","274432","2022-04-08","21:56:48",""
"7129942","11.7","0.002","16.998","0.003","13.643","0.002","90","","99.744","0.008","90","","2674.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 F3 N2 O5 -","- C31 H29 F3 N2 O5 -","- C124 H116 F12 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.0625","0.055","","","0.1557","0.1726","","","","","","1.256","","","","has coordinates","274432","2022-04-08","21:56:49",""
"7129943","10.6351","0.0009","24.357","0.002","11.6532","0.0009","90","","116.275","0.003","90","","2706.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F3 N2 O5 -","- C31 H31 F3 N2 O5 -","- C124 H124 F12 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.1077","0.0583","","","0.1272","0.1547","","","","","","1.041","","","","has coordinates","274432","2022-04-08","21:56:49",""
"7129944","11.0504","0.0006","17.8882","0.0009","13.3766","0.0006","90","","96.629","0.002","90","","2626.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.99 H30.99 F2.04 N2 O5 -","- C30.9888 H30.9888 F2.042 N2 O5 -","- C123.955 H123.955 F8.168 N8 O20 -","4","1","","Mannava, M. K. Chaitanya; Bommaka, Manish K.; Dandela, Rambabu; Solomon, K. Anand; Nangia, Ashwini K.","Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil","Chemical Communications","2022","","","","","10.1039/D1CC07187D","","","0.71073","MoKα","","0.1015","0.0664","","","0.1601","0.1864","","","","","","1.101","","","","has coordinates,has disorder","274432","2022-04-08","21:56:49",""
"7129945","8.1595","0.0004","13.1996","0.0006","17.4157","0.0009","80.477","0.004","80.391","0.004","84.442","0.004","1819.28","0.16","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H32 Cl2 N2 O -","- C48.5 H31 Cl2 N2 O -","- C97 H62 Cl4 N4 O2 -","2","1","","Liu, Lu; Wan, Qing; Gui, Chen; He, Ping; Zhao, Zujin; Wang, Zhiming; Tang, Ben-Zhong","Adjusting and Visualizing the Stability of Acyl Chloride through Delocalization Effect and Introducing AIEgens","Chemical Communications","2022","","","","","10.1039/D2CC00909A","","x-ray","1.54184","CuKα","","0.0514","0.0492","","","0.1385","0.1407","","","","","","1.001","","","","has coordinates","274433","2022-04-08","21:57:53",""
"7129946","14.5555","0.0008","14.5616","0.0008","19.0686","0.001","90","","93.536","0.002","90","","4033.9","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 N6 O20 Zn2 -","- C80 H108 N6 O20 Zn2 -","- C160 H216 N12 O40 Zn4 -","2","0.5","","Li, Xia; Xie, Jialin; Du, Zhenglin; Yu, Ruiyang; Jia, Jianhua; Chen, Zhong; Zhu, Kelong","2D and 3D metal-organic frameworks constructed with a mechanically rigidified [3]rotaxane ligand.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc01198k","","","1.34138","GaKα","","0.1308","0.1022","","","0.2897","0.3228","","","","","","1.28","","","","has coordinates,has disorder","274434","2022-04-08","21:59:26",""
"7129947","13.1611","0.0002","14.9762","0.0003","19.1811","0.0004","78.268","0.002","81.41","0.002","77.789","0.002","3595.51","0.12","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C68 H108 N2 O20 -","- C68 H108 N2 O20 -","- C136 H216 N4 O40 -","2","1","","Li, Xia; Xie, Jialin; Du, Zhenglin; Yu, Ruiyang; Jia, Jianhua; Chen, Zhong; Zhu, Kelong","2D and 3D metal-organic frameworks constructed with a mechanically rigidified [3]rotaxane ligand.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc01198k","","x-ray","1.54184","CuKα","","0.0951","0.0846","","","0.2435","0.2576","","","","","","1.015","","","","has coordinates,has disorder","274434","2022-04-08","21:59:27",""
"7129948","40.094","0.002","13.0784","0.001","18.2044","0.0011","90","","109.282","0.003","90","","9010.3","1","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H97 N3 O22 Zn2 -","- C63 H97 N3 O22 Zn2 -","- C252 H388 N12 O88 Zn8 -","4","0.5","","Li, Xia; Xie, Jialin; Du, Zhenglin; Yu, Ruiyang; Jia, Jianhua; Chen, Zhong; Zhu, Kelong","2D and 3D metal-organic frameworks constructed with a mechanically rigidified [3]rotaxane ligand.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc01198k","","","1.34138","GaKα","","0.189","0.1083","","","0.2765","0.355","","","","","","0.949","","","","has coordinates,has disorder","274434","2022-04-08","21:59:27",""
"7129949","9.9939","0.0004","23.591","0.0009","14.8973","0.0006","90","","93.357","0.003","90","","3506.3","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H92 N12 O20 -","- C60 H92 N12 O20 -","- C120 H184 N24 O40 -","2","0.5","","Pierri, Giovanni; Schettini, Rosaria; Summa, Francesco F.; De Riccardis, Francesco; Monaco, Guglielmo; Izzo, Irene; Tedesco, Consiglia","Right- and left-handed PPI helices in cyclic dodecapeptoids.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00682k","","","1.54178","CuKα","","0.1796","0.0923","","","0.187","0.2268","","","","","","1.083","","","","has coordinates,has disorder","274435","2022-04-08","22:00:41",""
"7129950","10.1468","0.0017","19.626","0.004","18.398","0.005","90","","98.846","0.017","90","","3620.2","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 N12 O12 -","- C60 H60 N12 O12 -","- C120 H120 N24 O24 -","2","0.5","","Pierri, Giovanni; Schettini, Rosaria; Summa, Francesco F.; De Riccardis, Francesco; Monaco, Guglielmo; Izzo, Irene; Tedesco, Consiglia","Right- and left-handed PPI helices in cyclic dodecapeptoids.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00682k","","","1.54178","CuKα","","0.0947","0.066","","","0.1796","0.1969","","","","","","1.043","","","","has coordinates,has disorder","274435","2022-04-08","22:00:41",""
"7129951","11.5603","0.0005","13.029","0.0005","14.4868","0.0006","105.275","0.001","108.615","0.002","99.629","0.002","1917.9","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H109.11 N12 O22.56 -","- C60 H93.112 N12 O20.556 -","- C60 H93.112 N12 O20.556 -","1","0.5","","Pierri, Giovanni; Schettini, Rosaria; Summa, Francesco F.; De Riccardis, Francesco; Monaco, Guglielmo; Izzo, Irene; Tedesco, Consiglia","Right- and left-handed PPI helices in cyclic dodecapeptoids.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00682k","","","1.54178","CuKα","","0.068","0.0521","","","0.144","0.1561","","","","","","1.04","","","","has coordinates,has disorder","274435","2022-04-08","22:00:41",""
"7129952","11.7433","0.0003","24.2497","0.0007","13.9071","0.0004","90","","100.563","0.001","90","","3893.23","0.19","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H108 N12 O24 -","- C60 H92 N12 O20 -","- C120 H184 N24 O40 -","2","0.5","","Pierri, Giovanni; Schettini, Rosaria; Summa, Francesco F.; De Riccardis, Francesco; Monaco, Guglielmo; Izzo, Irene; Tedesco, Consiglia","Right- and left-handed PPI helices in cyclic dodecapeptoids.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00682k","","","1.54178","CuKα","","0.081","0.0557","","","0.1535","0.1688","","","","","","1.051","","","","has coordinates,has disorder","274435","2022-04-08","22:00:42",""
"7129953","18.8037","0.0015","22.504","0.002","27.891","0.002","86.62","0.003","77.207","0.002","75.033","0.002","11118.9","1.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C110 H146 N22 O37 P6 -","- C110 H146 N22 O37 P6 -","- C330 H438 N66 O111 P18 -","3","3","","Badjic, Jovica D.; Xie, Han; Finnegan, Tyler J.; Liyana Gunawardana, Vageesha W.; Moore, Curtis; Xie, William","A Double-Decker Cage for Allosteric Encapsulation of ATP","Chemical Communications","2022","","","","","10.1039/D2CC00927G","","x-ray","0.71073","MoKα","K-L~3~","0.1155","0.077","","","0.194","0.2244","","","","","","0.995","","","","has coordinates,has disorder","274450","2022-04-11","21:54:37",""
"7129954","26.854","0.003","16.764","0.003","27.767","0.004","90","","116.128","0.006","90","","11223","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 H144 N18 O12 -","- C108 H144 N18 O12 -","- C432 H576 N72 O48 -","4","0.5","","Badjic, Jovica D.; Xie, Han; Finnegan, Tyler J.; Liyana Gunawardana, Vageesha W.; Moore, Curtis; Xie, William","A Double-Decker Cage for Allosteric Encapsulation of ATP","Chemical Communications","2022","","","","","10.1039/D2CC00927G","","x-ray","0.71073","MoKα","K-L~3~","0.0974","0.0737","","","0.2096","0.2302","","","","","","1.024","","","","has coordinates,has disorder","274450","2022-04-11","21:54:38",""
"7129955","16.3863","0.0002","13.1487","0.0002","34.6062","0.0004","90","","96.7646","0.0014","90","","7404.29","0.17","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H106 Al2 K2 N4 O6 Si4 -","- C66 H106 Al2 K2 N4 O6 Si4 -","- C264 H424 Al8 K8 N16 O24 Si16 -","4","1","","Evans, Matthew J.; Gardiner, Michael; Anker, Mathew David; Coles, Martyn P.","Extending Chain Growth Beyond C1 → C4 in CO Homologation: Aluminyl Promoted Formation of the [C5O5]5– Ligand","Chemical Communications","2022","","","","","10.1039/D2CC01554D","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1295","0.135","","","","","","1.014","","","","has coordinates,has disorder","274451","2022-04-11","21:55:52",""
"7129956","19.3051","0.0007","24.5006","0.001","24.9778","0.0013","115.548","0.006","108.416","0.005","97.403","0.004","9616","1.1","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H152 Al2 K2 N8 O6 Si4 -","- C84 H152 Al2 K2 N8 O6 Si4 -","- C336 H608 Al8 K8 N32 O24 Si16 -","4","2","","Evans, Matthew J.; Gardiner, Michael; Anker, Mathew David; Coles, Martyn P.","Extending Chain Growth Beyond C1 → C4 in CO Homologation: Aluminyl Promoted Formation of the [C5O5]5– Ligand","Chemical Communications","2022","","","","","10.1039/D2CC01554D","","x-ray","1.54184","CuKα","","0.1356","0.0935","","","0.2444","0.2916","","","","","","1.03","","","","has coordinates,has disorder","274451","2022-04-11","21:55:53",""
"7129957","15.4856","0.00007","32.8594","0.0002","36.3809","0.0002","90","","97.0291","0.0005","90","","18373.2","0.17","150","3","150","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C157 H256 Al4 K6 N15 O14 Si8 -","- C128 H200 Al4 K6 N10 O14 Si8 -","- C512 H800 Al16 K24 N40 O56 Si32 -","4","1","","Evans, Matthew J.; Gardiner, Michael; Anker, Mathew David; Coles, Martyn P.","Extending Chain Growth Beyond C1 → C4 in CO Homologation: Aluminyl Promoted Formation of the [C5O5]5– Ligand","Chemical Communications","2022","","","","","10.1039/D2CC01554D","","x-ray","1.54184","CuKα","","0.0495","0.0431","","","0.1239","0.1292","","","","","","1.01","","","","has coordinates,has disorder","274451","2022-04-11","21:55:53",""
"7129958","15.813","0.0001","16.9447","0.0001","25.504","0.0002","90","","91.405","0.001","90","","6831.65","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H110 K N3 O6 Si Zn -","- C69 H110 K N3 O6 Si Zn -","- C276 H440 K4 N12 O24 Si4 Zn4 -","4","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","","1.54184","CuKα","","0.0507","0.0439","","","0.1123","0.1186","","","","","","1.03","","","","has coordinates,has disorder","274452","2022-04-11","21:59:38",""
"7129959","10.92365","0.00017","15.318","0.0004","15.4312","0.0002","86.8366","0.0016","86.8944","0.0013","72.2944","0.0017","2454.12","0.08","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 F10 K N2 O Si Zn -","- C52 H52 F10 K N2 O Si Zn -","- C104 H104 F20 K2 N4 O2 Si2 Zn2 -","2","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.0716","0.0659","","","0.195","0.2012","","","","","","1.054","","","","has coordinates","274452","2022-04-11","21:59:38",""
"7129960","11.68683","0.00006","14.09772","0.00009","31.61154","0.00015","90","","91.4303","0.0005","90","","5206.62","0.05","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 F2 K N3 O5 Si Zn -","- C54 H70 F2 K N3 O5 Si Zn -","- C216 H280 F8 K4 N12 O20 Si4 Zn4 -","4","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.0412","0.0358","","","0.0873","0.0908","","","","","","1.039","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129961","35.0797","0.0007","15.7345","0.0003","25.6152","0.0004","90","","98.473","0.002","90","","13984.3","0.4","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H102 F3 K N2 O7 Si Zn -","- C70 H102 F3 K N2 O7 Si Zn -","- C560 H816 F24 K8 N16 O56 Si8 Zn8 -","8","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","","1.54184","CuKα","","0.1002","0.0813","","","0.2241","0.2547","","","","","","1.014","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129962","10.4753","0.0001","35.3408","0.0005","37.566","0.0005","87.637","0.001","82.661","0.001","88.947","0.001","13780.3","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H110 N3 Na O6 Si Zn -","- C69 H110 N3 Na O6 Si Zn -","- C552 H880 N24 Na8 O48 Si8 Zn8 -","8","4","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","","1.54184","CuKα","","0.0738","0.0615","","","0.1656","0.1776","","","","","","1.023","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129963","18.6356","0.0002","18.8587","0.0003","18.8788","0.0003","90.4963","0.0014","93.1729","0.0012","92.1929","0.0012","6619.42","0.17","173.01","0.1","173.15","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C66 H95 F2 K N2 O6 Si Zn -","- C66 H95 F2 K N2 O6 Si Zn -","- C264 H380 F8 K4 N8 O24 Si4 Zn4 -","4","2","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","","1.54184","CuKα","","0.1576","0.1143","","","0.3376","0.3734","","","","","","1.338","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129964","16.8242","0.0002","15.09","0.0002","25.0756","0.0004","90","","109.534","0.002","90","","5999.71","0.16","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H86 F3 N2 Na O5 Si Zn -","- C62 H86 F3 N2 Na O5 Si Zn -","- C248 H344 F12 N8 Na4 O20 Si4 Zn4 -","4","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","","1.54184","CuKα","","0.0458","0.0432","","","0.1154","0.1184","","","","","","1.029","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129965","22.63","0.003","15.765","0.001","20.4853","0.0017","90","","108.879","0.012","90","","6915.2","1.3","84.8","0.6","84.8","0.6","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H103 F K N3 O9 Si Zn -","- C70 H103 F K N3 O9 Si Zn -","- C280 H412 F4 K4 N12 O36 Si4 Zn4 -","4","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.151","0.1316","","","0.3393","0.358","","","","","","1.035","","","","has coordinates","274452","2022-04-11","21:59:39",""
"7129966","20.611","0.0006","15.6044","0.0005","23.2737","0.0008","90","","109.05","0.003","90","","7075.4","0.4","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H102 Cl3 K N2 O7 Si Zn -","- C70 H102 Cl3 K N2 O7 Si Zn -","- C280 H408 Cl12 K4 N8 O28 Si4 Zn4 -","4","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.1547","0.1244","","","0.3502","0.3854","","","","","","1.414","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129967","35.1874","0.0003","15.60249","0.0001","25.53322","0.00018","90","","99.1052","0.0007","90","","13841.4","0.18","100","0.5","100","0.5","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H100 F5 K N2 O7 Si Zn -","- C70 H100 F5 K N2 O7 Si Zn -","- C560 H800 F40 K8 N16 O56 Si8 Zn8 -","8","1","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.0793","0.0727","","","0.1995","0.2065","","","","","","1.044","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129968","12.14746","0.00007","29.80377","0.00015","15.17589","0.00008","90","","105.049","0.0006","90","","5305.84","0.05","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C110 H152 F4 K2 N4 O8 Si2 Zn2 -","- C110 H152 F4 K2 N4 O8 Si2 Zn2 -","- C220 H304 F8 K4 N8 O16 Si4 Zn4 -","2","0.5","","Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva","Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand","Chemical Communications","2022","","","","","10.1039/D2CC00979J","","x-ray","1.54184","CuKα","","0.0372","0.0359","","","0.0965","0.0975","","","","","","1.03","","","","has coordinates,has disorder","274452","2022-04-11","21:59:39",""
"7129969","19.6737","0.0016","16.6758","0.0013","28.868","0.003","90","","109.814","0.003","90","","8910.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H81.5 B F4 Fe3 N18 O19.75 -","- C93 H80 B F4 Fe3 N18 O19.75 -","- C372 H320 B4 F16 Fe12 N72 O79 -","4","1","","Barrios, Leoní A.; Diego, Rosa; Darawsheh, Mohanad; Martínez, Jesús I.; Roubeau, Oliver; Aromí, Guillem","A ferric guest inside a spin crossover ferrous helicate","Chemical Communications","2022","","","","","10.1039/D2CC00928E","","","0.7288","synchrotron","","0.0796","0.0742","","","0.2172","0.2214","","","","","","1.026","","","","has coordinates,has disorder","274492","2022-04-12","21:54:08",""
"7129970","14.8701","0.0008","18.4351","0.0011","18.8758","0.0012","75.913","0.002","84.722","0.002","79.764","0.002","4932.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H84 B F4 Fe3 N24 O15 -","- C98 H72 B F4 Fe3 N22 O15 -","- C196 H144 B2 F8 Fe6 N44 O30 -","2","1","","Barrios, Leoní A.; Diego, Rosa; Darawsheh, Mohanad; Martínez, Jesús I.; Roubeau, Oliver; Aromí, Guillem","A ferric guest inside a spin crossover ferrous helicate","Chemical Communications","2022","","","","","10.1039/D2CC00928E","","","0.72932","synchrotron","","0.0934","0.0876","","","0.2578","0.2644","","","","","","1.02","","","","has coordinates,has disorder","274492","2022-04-12","21:54:09",""
"7129971","20.122","0.008","16.557","0.006","28.572","0.012","90","","109.976","0.003","90","","8946","6","280","2","280","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H81.5 B F4 Fe3 N18 O19.75 -","- C90 H68 B F4 Fe3 N18 O16.5 -","- C360 H272 B4 F16 Fe12 N72 O66 -","4","1","","Barrios, Leoní A.; Diego, Rosa; Darawsheh, Mohanad; Martínez, Jesús I.; Roubeau, Oliver; Aromí, Guillem","A ferric guest inside a spin crossover ferrous helicate","Chemical Communications","2022","","","","","10.1039/D2CC00928E","","","0.7288","synchrotron","","0.1359","0.1234","","","0.3373","0.3599","","","","","","1.058","","","","has coordinates,has disorder","274493","2022-04-12","21:54:53",""
"7129972","9.4403","0.0009","12.498","0.0011","27.612","0.002","90","","90","","90","","3257.8","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N4 O8 -","- C32 H35 N4 O8 -","- C128 H140 N16 O32 -","4","1","","Tian, Zhou; Jiang, Jing; Yan, Zhen-Hui; Luo, Qing-Qing; Zhan, Gu; Huang, Wei; Li, Xiang; Han, Bo","Catalytic asymmetric [3 + 2] cycloaddition of pyrazolone-derived MBH carbonate: highly stereoselective construction of the bispiro-[pyrazolone-dihydropyrrole-oxindole] skeleton.","Chemical communications (Cambridge, England)","2022","58","35","5363","5366","10.1039/d2cc00618a","","x-ray","0.71073","MoKα","","0.1031","0.0681","","","0.1637","0.1834","","","","","","1.028","","","","has coordinates,has disorder","274941","2022-05-05","20:18:53",""
"7129973","12.5484","0.001","13.4967","0.0011","17.0112","0.0014","69.016","0.003","82.118","0.003","81.64","0.003","2650.1","0.4","134","2","134","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H76 B2 N6 -","- C56 H76 B2 N6 -","- C112 H152 B4 N12 -","2","1","","Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC01254E","","","1.34139","GaKα","","0.0628","0.0559","","","0.1533","0.1586","","","","","","1.06","","","","has coordinates","274495","2022-04-12","21:56:36",""
"7129974","10.8314","0.0008","13.2692","0.0011","38.304","0.003","90","","91.671","0.003","90","","5502.9","0.7","136","2","136","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 B2 N6 -","- C60 H78 B2 N6 -","- C240 H312 B8 N24 -","4","1","","Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC01254E","","","1.34139","GaKα","","0.0605","0.0507","","","0.1312","0.1377","","","","","","1.079","","","","has coordinates","274495","2022-04-12","21:56:37",""
"7129975","10.4503","0.0009","13.9363","0.0012","22.1346","0.0019","97.006","0.002","103.374","0.002","109.486","0.002","2886.1","0.4","140","2","140","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H76 B2 F6 N6 Sb -","- C56 H76 B2 F6 N6 Sb -","- C112 H152 B4 F12 N12 Sb2 -","2","1","","Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC01254E","","","1.34139","GaKα","","0.0485","0.0482","","","0.13","0.1304","","","","","","1.116","","","","has coordinates,has disorder","274495","2022-04-12","21:56:37",""
"7129976","25.504","0.0018","16.6135","0.0011","15.9169","0.0011","90","","90","","90","","6744.2","0.8","137","2","137","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H78 B2 F6 N6 Sb -","- C60 H78 B2 F6 N6 Sb -","- C240 H312 B8 F24 N24 Sb4 -","4","1","","Xie, Zhuofeng; Dai, Yuyang; Bao, Manling; Feng, Zhongtao; Wang, Wenjuan; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","Crystalline radical cations of bis-BN-based analogues of Thiele's hydrocarbon","Chemical Communications","2022","","","","","10.1039/D2CC01254E","","","1.34139","GaKα","","0.0717","0.0707","","","0.2198","0.2215","","","","","","1.067","","","","has coordinates","274495","2022-04-12","21:56:37",""
"7129977","10.25337","0.00007","32.9923","0.0002","29.7568","0.0002","90","","92.1304","0.0004","90","","10059.2","0.11","102.6","","102.6","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H70 B Cr2 F24 O6 P2 Rh -","- C98 H70 B Cr2 F24 O6 P2 Rh -","- C392 H280 B4 Cr8 F96 O24 P8 Rh4 -","4","1","","Yue, Erlin; Petrov, Andrey; Frost, Daniel Sebastian; Dettling, Lea; Conrad, Lawrence; Wossidlo, Friedrich; Coles, Nathan Thomas; Weber, Manuela; Muller, Christian","Highly Flexible Phosphabenzenes: A Missing Coordination Mode of 2,4,6-Triaryl-λ3-Phosphinines","Chemical Communications","2022","","","","","10.1039/D2CC01817A","","","1.54178","CuKα","","0.1049","0.0951","","","0.2193","0.2246","","","","","","1.099","","","","has coordinates,has disorder","274510","2022-04-13","21:55:53",""
"7129978","11.9464","0.0015","25.216","0.003","8.2418","0.001","90","","109.916","0.004","90","","2334.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H38 Cr2 O8 P2 Rh2 -","- C56 H38 Cr2 O8 P2 Rh2 -","- C112 H76 Cr4 O16 P4 Rh4 -","2","0.5","","Yue, Erlin; Petrov, Andrey; Frost, Daniel Sebastian; Dettling, Lea; Conrad, Lawrence; Wossidlo, Friedrich; Coles, Nathan Thomas; Weber, Manuela; Muller, Christian","Highly Flexible Phosphabenzenes: A Missing Coordination Mode of 2,4,6-Triaryl-λ3-Phosphinines","Chemical Communications","2022","","","","","10.1039/D2CC01817A","","","0.71073","MoKα","","0.0397","0.0316","","","0.0647","0.0669","","","","","","1.098","","","","has coordinates","274510","2022-04-13","21:55:57",""
"7129979","12.8929","0.0005","21.8724","0.0011","9.5156","0.0005","90","","94.066","0.002","90","","2676.6","0.2","99.94","","99.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 Cr2 O10 P2 Rh2 -","- C62 H50 Cr2 O10 P2 Rh2 -","- C124 H100 Cr4 O20 P4 Rh4 -","2","0.5","","Yue, Erlin; Petrov, Andrey; Frost, Daniel Sebastian; Dettling, Lea; Conrad, Lawrence; Wossidlo, Friedrich; Coles, Nathan Thomas; Weber, Manuela; Muller, Christian","Highly Flexible Phosphabenzenes: A Missing Coordination Mode of 2,4,6-Triaryl-λ3-Phosphinines","Chemical Communications","2022","","","","","10.1039/D2CC01817A","","","0.71073","MoKα","","0.0606","0.0408","","","0.0821","0.0891","","","","","","1.039","","","","has coordinates,has disorder","274510","2022-04-13","21:55:57",""
"7129980","14.0219","0.0005","9.5027","0.0003","23.0919","0.0009","90","","100.404","0.002","90","","3026.31","0.19","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Cr2 O8 P2 Rh2 -","- C60 H46 Cr2 O8 P2 Rh2 -","- C120 H92 Cr4 O16 P4 Rh4 -","2","0.5","","Yue, Erlin; Petrov, Andrey; Frost, Daniel Sebastian; Dettling, Lea; Conrad, Lawrence; Wossidlo, Friedrich; Coles, Nathan Thomas; Weber, Manuela; Muller, Christian","Highly Flexible Phosphabenzenes: A Missing Coordination Mode of 2,4,6-Triaryl-λ3-Phosphinines","Chemical Communications","2022","","","","","10.1039/D2CC01817A","","","0.71073","MoKα","","0.0435","0.0318","","","0.0668","0.0705","","","","","","1.025","","","","has coordinates,has disorder","274510","2022-04-13","21:55:57",""
"7129981","18.7594","0.0009","16.0888","0.0008","24.9988","0.0012","90","","90.962","0.002","90","","7544","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","a,a,b,b-5,10,15,20-Tetrakis(2-aminiumphenyl)-2,3,7,8,12,13,17,18-octaethyl-porphyrin tetra-hydrosulphate, sulphate, and water solvate","","- C60 H84.38 N8 O23.95 S5 -","- C60 H80.999 N8 O23.95 S5 -","- C240 H323.996 N32 O95.8 S20 -","4","1","","Norvaiša, Karolis; O'Brien, John E; Osadchuk, Irina; Twamley, Brendan; Borovkov, Victor; Senge, Mathias O.","Importance of molecular symmetry for enantiomeric excess recognition by NMR.","Chemical communications (Cambridge, England)","2022","58","35","5423","5426","10.1039/d2cc01319c","","x-ray","1.54178","CuKα","K-L~3~","0.1537","0.1354","","","0.3912","0.4253","","","","","","1.104","","","","has coordinates,has disorder","274943","2022-05-05","20:19:28",""
"7129982","11.505","0.003","8.2528","0.0015","24.175","0.005","90","","92.468","0.006","90","","2293.2","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H48 Br2 N2 O4 -","- C56 H48 Br2 N2 O4 -","- C112 H96 Br4 N4 O8 -","2","1","","Liu, Mohuizi; Xie, Lihua; Hou, Liuzhen; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric transformation of nitrones and allenes to dihydropyridoindoles via chiral N,N′-dioxide/cobalt(ii) catalysis","Chemical Communications","2022","","","","","10.1039/D2CC01263D","","","0.71073","MoKα","","0.0619","0.0428","","","0.0943","0.1093","","","","","","1.006","","","","has coordinates","274512","2022-04-13","21:58:50",""
"7129983","19.425","0.003","28.029","0.004","31.983","0.005","90","","91.322","0.002","90","","17409","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H207 Na3 O74 Sn9 -","- C114 H177 Na3 O69 Sn9 -","- C456 H708 Na12 O276 Sn36 -","4","1","","Zhu, Yu; Li, Dong-Sheng; Zhang, Jian; Zhang, Lei","Construction and two-dimensional assembly of double-shell Na@Sn6L6@Sn3L3 clusters through tetrahedral citrate ligands","Chemical Communications","2022","","","","","10.1039/D2CC01824A","","","0.71073","MoKα","","0.0567","0.0462","","","0.1211","0.1299","","","","","","1.041","","","","has coordinates,has disorder","274529","2022-04-14","21:54:05",""
"7129984","8.2282","0.0007","9.5081","0.0008","10.7126","0.0008","101.997","0.002","91.033","0.002","111.831","0.002","756.79","0.11","150","0.1","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H26 F6 N P3 -","- C34 H26 F6 N P3 -","- C34 H26 F6 N P3 -","1","1","","Tian, Jiaxin; Cordier, Marie; Bour, Christophe; Auffrant, Audrey; Gandon, Vincent","A Cyclic Divalent N(I) Species Isoelectronic to Carbodiphosphoranes","Chemical Communications","2022","","","","","10.1039/D2CC01637K","","","0.71069","MoKα","","0.0388","0.0312","","","0.0739","0.0774","","","","","","1.008","","","","has coordinates","274561","2022-04-18","21:52:56",""
"7129985","14.1326","0.0005","7.034","0.0002","7.9877","0.0003","90","","96.763","0.002","90","","788.52","0.05","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F2 H8 N2 O6 P2 -","- F2 H8 N2 O6 P2 -","- F8 H32 N8 O24 P8 -","4","0.5","","Qiu, Haotian; Li, Fuming; Jin, Congcong; Lu, Juanjuan; Yang, Zhihua; Pan, Shilie; Mutailipu, Miriding","(N2H6)[HPO3F]2: maximizing the optical anisotropy of deep-ultraviolet fluorophosphates","Chemical Communications","2022","","","","","10.1039/D2CC01035F","","","1.54178","CuKα","","0.025","0.0233","","","0.0658","0.0678","","","","","","1.066","","","","has coordinates","274578","2022-04-19","21:53:54",""
"7129986","26.9909","0.0004","6.1009","0.0001","5.1027","0.0001","90","","90","","90","","840.26","0.02","100","2","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 N2 O2 P2 -","- C18 H22 N2 O2 P2 -","- C36 H44 N4 O4 P4 -","2","0.5","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","","0.0206","0.0203","","","0.0543","0.0545","","","","","","1.142","","","","has coordinates","274579","2022-04-19","21:55:01",""
"7129987","14.2647","0.0003","24.628","0.0004","8.18186","0.00015","90","","98.2803","0.0018","90","","2844.41","0.09","100","2","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H37 Cl2 Ir N2 O2 P2 -","- C28 H37 Cl2 Ir N2 O2 P2 -","- C112 H148 Cl8 Ir4 N8 O8 P8 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","","0.0239","0.0232","","","0.0587","0.0589","","","","","","1.094","","","","has coordinates","274579","2022-04-19","21:55:02",""
"7129988","13.687","0.0002","15.3847","0.0003","16.7249","0.0003","90","","90","","90","","3521.77","0.11","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Au Cl6 D Ir N2 O2 P2 -","- C29 H35 Au Cl6 D Ir N2 O2 P2 -","- C116 H140 Au4 Cl24 D4 Ir4 N8 O8 P8 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","K-L~3~","0.034","0.0294","","","0.0638","0.0656","","","","","","1.042","","","","has coordinates,has disorder","274579","2022-04-19","21:55:02",""
"7129989","13.061","0.0001","20.2888","0.0001","25.7121","0.0002","90","","90","","90","","6813.5","0.08","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H74 Au2 Cl9 D Ir2 N4 O4 P4 -","- C57 H74 Au2 Cl9 D Ir2 N4 O4 P4 -","- C228 H296 Au8 Cl36 D4 Ir8 N16 O16 P16 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71073","MoKα","K-L~3~","0.0167","0.0164","","","0.0427","0.0428","","","","","","1.063","","","","has coordinates","274579","2022-04-19","21:55:03",""
"7129990","12.2896","0.0003","8.7251","0.0002","32.9959","0.001","90","","91.483","0.002","90","","3536.9","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 Cr F6 N10 O0.5 P -","- C38 H29 Cr F6 N10 O0.5 P -","- C152 H116 Cr4 F24 N40 O2 P4 -","4","1","","Sawicka, Natalia; Craze, Chloe J.; Horton, Peter N.; Coles, Simon J.; Richards, Emma; Pope, Simon J. A.","Long-lived, near-IR emission from Cr(iii) under ambient conditions","Chemical Communications","2022","","","","","10.1039/D2CC01434C","","x-ray","1.54178","CuKα","","0.1038","0.0894","","","0.2486","0.2576","","","","","","1.05","","","","has coordinates,has disorder","274580","2022-04-19","21:55:43",""
"7129991","5.8248","0.0004","28.7309","0.0017","8.8878","0.0005","90","","106.165","0.002","90","","1428.58","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lin, Binzhou; Karki, Ishwor; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically-gated molecular rotors","Chemical Communications","2022","","","","","10.1039/D2CC00512C","","x-ray","0.71073","MoKα","","0.047","0.0395","","","0.0977","0.1024","","","","","","1.04","","","","has coordinates","274581","2022-04-19","21:56:08",""
"7129992","15.661","0.002","21.437","0.003","12.3333","0.0018","90","","111.862","0.009","90","","3842.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C192 H152 N24 O24 -","8","2","","Sarkar, Tanumay; Maharana, Prabhat Kumar; Roy, Subhasish; Punniyamurthy, Tharmalingam","Expedient Ni-catalyzed C-H/C-H cross-dehydrogenative coupling of aryl amides with azoles","Chemical Communications","2022","","","","","10.1039/D2CC01097F","","","0.71073","MoKα","","0.0856","0.0618","","","0.1806","0.208","","","","","","1.01","","","","has coordinates","274582","2022-04-19","21:56:34",""
"7129993","11.9883","0.0005","21.0001","0.0007","12.8601","0.0005","90","","103.3","0.001","90","","3150.8","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 N4 O S -","- C35 H46 N4 O S -","- C140 H184 N16 O4 S4 -","4","1","","Takiguchi, Asahi; Inai, Naoto; Kang, Seongsoo; Hagai, Masaya; Lee, Seokwon; Yanai, Takeshi; Kim, Dongho; Shinokubo, Hiroshi","5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics","Chemical Communications","2022","","","","","10.1039/D2CC00522K","","","0.71073","MoKα","","0.0828","0.0655","","","0.1219","0.127","","","","","","1.113","","","","has coordinates,has disorder","274583","2022-04-19","21:57:30",""
"7129994","15.2381","0.0002","15.9224","0.0003","16.4963","0.0003","80.935","0.001","63.946","0.002","89.904","0.001","3540.51","0.12","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H64 B F24 N4 S Zn -","- C76 H64 B F24 N4 S Zn -","- C152 H128 B2 F48 N8 S2 Zn2 -","2","1","","Takiguchi, Asahi; Inai, Naoto; Kang, Seongsoo; Hagai, Masaya; Lee, Seokwon; Yanai, Takeshi; Kim, Dongho; Shinokubo, Hiroshi","5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics","Chemical Communications","2022","","","","","10.1039/D2CC00522K","","","0.71073","MoKα","","0.054","0.0473","","","0.1242","0.1291","","","","","","1.033","","","","has coordinates,has disorder","274583","2022-04-19","21:57:31",""
"7129995","13.4974","0.0006","14.6725","0.0007","18.569","0.0009","107.949","0.002","99.555","0.002","99.629","0.002","3355.1","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H63 B F24 N4 S -","- C69.99 H62.99 B F24 N4 S1.001 -","- C139.98 H125.98 B2 F48 N8 S2.002 -","2","1","","Takiguchi, Asahi; Inai, Naoto; Kang, Seongsoo; Hagai, Masaya; Lee, Seokwon; Yanai, Takeshi; Kim, Dongho; Shinokubo, Hiroshi","5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics","Chemical Communications","2022","","","","","10.1039/D2CC00522K","","","0.71073","MoKα","","0.0771","0.0683","","","0.173","0.1807","","","","","","1.015","","","","has coordinates,has disorder","274583","2022-04-19","21:57:31",""
"7129996","22.5148","0.0004","20.0029","0.0003","15.83572","0.00019","90","","90","","90","","7131.8","0.19","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C63.17 H94.09 N0.42 O19.59 P V6 -","- C63.168 H94.088 N0.416 O19.584 P V6 -","- C252.672 H376.352 N1.664 O78.336 P4 V24 -","4","0.5","","Fertig, Alex A.; Cooney, Shannon E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Mechanistic Insight into Rapid Oxygen-Atom Transfer from a Calix-Functionalized Polyoxovanadate","Chemical Communications","2022","","","","","10.1039/D2CC01228F","","x-ray","1.54184","CuKα","","0.0627","0.0587","","","0.1453","0.1475","","","","","","1.093","","","","has coordinates,has disorder","274602","2022-04-20","21:54:04",""
"7129997","21.2605","0.0002","17.6178","0.0001","20.1094","0.0002","90","","104.83","0.001","90","","7281.34","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C62 H91 N5 O19 V6 -","- C62 H91 N5 O19 V6 -","- C248 H364 N20 O76 V24 -","4","0.5","","Fertig, Alex A.; Cooney, Shannon E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Mechanistic Insight into Rapid Oxygen-Atom Transfer from a Calix-Functionalized Polyoxovanadate","Chemical Communications","2022","","","","","10.1039/D2CC01228F","","x-ray","1.54184","CuKα","","0.0447","0.0428","","","0.1284","0.1302","","","","","","1.08","","","","has coordinates,has disorder","274602","2022-04-20","21:54:05",""
"7129998","10.8997","0.00013","8.57542","0.0001","20.1183","0.0002","90","","92.5617","0.001","90","","1878.57","0.04","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10,10-diphenyl-5,10-dihydrodibenzo[b,e][1,4]azagermine","","- C24 H19 Ge N -","- C24 H19 Ge N -","- C96 H76 Ge4 N4 -","4","1","","Nyga, Aleksandra; Kaihara, Takahito; Hosono, Takumi; Sipala, Massimiliano; Stachelek, Partycja; Tonai, Norimitsu; Minakata, Satoshi; de Sousa, Leonardo E.; de Silva, Piotr; Data, Przemyslaw; Takeda, Youhei","Dual-Photofunctional Organogermanium Compound Based on Donor–Acceptor–Donor Architecture","Chemical Communications","2022","","","","","10.1039/D2CC01568D","","","1.54187","CuKα","","0.0344","0.0322","","","0.0915","0.0932","","","","","","1.064","","","","has coordinates","274603","2022-04-20","21:54:42",""
"7129999","15.3819","0.0003","15.3819","0.0003","12.4454","0.0002","90","","90","","90","","2944.62","0.09","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","?MFM-300-Sc_empty?","- C8 H4 O5 Sc -","- C8 H4 O5 Sc -","- C64 H32 O40 Sc8 -","8","0.5","","Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai","High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions","Chemical Communications","2022","","","","","10.1039/D2CC01197B","powder diffraction","","","","","","","","","","","","","3.77","","","","","","","has coordinates","274623","2022-04-21","21:55:12",""
"7130000","15.397","0.0003","15.397","0.0003","12.4104","0.0002","90","","90","","90","","2942.1","0.09","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","?MFM-300-Sc_1ND3?","- C64 H32 D15 N5 O40 Sc8 -","- C64 H32 D15 N5 O40 Sc8 -","- C64 H32 D15 N5 O40 Sc8 -","1","0.0625","","Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai","High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions","Chemical Communications","2022","","","","","10.1039/D2CC01197B","powder diffraction","","","","","","","","","","","","","3.77","","","","","","","has coordinates","274623","2022-04-21","21:55:15",""
"7130001","15.402","0.0003","15.402","0.0003","12.3825","0.0003","90","","90","","90","","2937.4","0.11","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","?MFM-300-Sc_3ND3?","- C8 H4 D3.91 N1.3 O5 Sc -","- C8 H3.9998 D3.9134 N1.3044 O5 Sc -","- C64 H31.9984 D31.3072 N10.4352 O40 Sc8 -","8","0.5","","Guo, Lixia; Han, Xue; Ma, Yujie; Li, Jiangnan; Lu, Wanpeng; Li, Weiyao; Lee, Daniel; da Silva, Ivan; Cheng, Yongqiang; Rudić, Svemir; Manuel, Pascal; Frogley, Mark D.; Ramirez-Cuesta, Anibal J.; Schröder, Martin; Yang, Sihai","High capacity ammonia adsorption in a robust metal–organic framework mediated by reversible host–guest interactions","Chemical Communications","2022","","","","","10.1039/D2CC01197B","powder diffraction","","","","","","","","","","","","","4.34","","","","","","","has coordinates","274623","2022-04-21","21:55:15",""
"7130002","5.9739","0.0003","5.9739","0.0003","5.9739","0.0003","90","","90","","90","","213.193","0.019","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C2 Br3 N Pb -","- C1.9992 Br3 N0.9996 Pb -","- C1.9992 Br3 N0.9996 Pb -","1","0.0208333","","Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A.","Aziridinium cation templating 3D lead halide hybrid perovskites","Chemical Communications","2022","","","","","10.1039/D2CC01364A","","","0.71073","MoKα","","0.0338","0.0338","","","0.0693","0.0694","","","","","","1.197","","","","has coordinates,has disorder","274624","2022-04-21","21:56:15",""
"7130003","5.761","0.0002","5.761","0.0002","5.761","0.0002","90","","90","","90","","191.203","0.011","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C2 Cl3 N Pb -","- C2.0004 Cl3 N0.9996 Pb -","- C2.0004 Cl3 N0.9996 Pb -","1","0.0208333","","Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A.","Aziridinium cation templating 3D lead halide hybrid perovskites","Chemical Communications","2022","","","","","10.1039/D2CC01364A","","","0.71073","MoKα","","0.0199","0.0199","","","0.0431","0.0431","","","","","","1.17","","","","has coordinates,has disorder","274624","2022-04-21","21:56:15",""
"7130004","6.364","0.0004","6.364","0.0004","6.364","0.0004","90","","90","","90","","257.75","0.03","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C2 I3 N Pb -","- C2.0004 I3 N0.9996 Pb -","- C2.0004 I3 N0.9996 Pb -","1","0.0208333","","Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A.","Aziridinium cation templating 3D lead halide hybrid perovskites","Chemical Communications","2022","","","","","10.1039/D2CC01364A","","x-ray","0.71073","MoKα","","0.0344","0.0318","","","0.047","0.0476","","","","","","1.066","","","","has coordinates,has disorder","274624","2022-04-21","21:56:16",""
"7130005","36.3291","0.0001","36.3291","0.0001","24.6206","0.0001","90","","90","","90","","32494.3","0.18","100","2","100","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C24 H16 Eu10 Ge4 N4 Na0 O224 Se13 W36 -","- C24 H16 Eu10 Ge4 N4 O224 Se13 W36 -","- C96 H64 Eu40 Ge16 N16 O896 Se52 W144 -","4","0.25","","Yao, Meng-Ying; Liu, Yu-Feng; Li, Xin-Xiong; Yang, Guo-Ping; Zheng, Shou-Tian","The largest Se-4f cluster incorporated polyoxometalate with high Lewis acid–base catalytic activity","Chemical Communications","2022","","","","","10.1039/D2CC01051H","","","0.71073","MoKα","","0.0593","0.0442","","","0.113","0.1167","","","","","","0.97","","","","has coordinates,has disorder","274625","2022-04-21","21:57:04",""
"7130006","12.9702","0.0002","8.55111","0.00017","19.0278","0.0004","90","","97.3886","0.0017","90","","2092.84","0.07","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C29 H59 B2 F8 N3 O12 -","- C29 H59 B2 F8 N3 O12 -","- C58 H118 B4 F16 N6 O24 -","2","1","","Li, Yi-Rong; Zhang, Yun-Fang; Tang, Yuan-Yuan; Zhang, Han-Yue","[(Histamine)(18-crown-6)<sub>2</sub>][BF<sub>4</sub>]<sub>2</sub> is a high-temperature piezoelectric.","Chemical communications (Cambridge, England)","2022","58","33","5148","5151","10.1039/d2cc00818a","","","0.71","MoKα","","0.1026","0.0958","","","0.3067","0.3255","","","","","","1.29","","","","has coordinates,has disorder","274626","2022-04-21","21:57:47",""
"7130007","12.926","0.003","8.7447","0.0016","19.506","0.005","90","","99.57","0.02","90","","2174.2","0.9","402","10","402","10","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H59 B2 F8 N3 O12 -","- C29 H59 B2 F8 N3 O12 -","- C58 H118 B4 F16 N6 O24 -","2","0.5","","Li, Yi-Rong; Zhang, Yun-Fang; Tang, Yuan-Yuan; Zhang, Han-Yue","[(Histamine)(18-crown-6)<sub>2</sub>][BF<sub>4</sub>]<sub>2</sub> is a high-temperature piezoelectric.","Chemical communications (Cambridge, England)","2022","58","33","5148","5151","10.1039/d2cc00818a","","x-ray","0.71073","MoKα","","0.1991","0.1259","","","0.3768","0.4455","","","","","","1.289","","","","has coordinates,has disorder","274626","2022-04-21","21:57:48",""
"7130008","10.6823","0.0002","28.9209","0.0007","15.9356","0.0003","90","","103.244","0.002","90","","4792.23","0.18","280.9","0.9","280.9","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H69 B2 F8 N6 O12 -","- C34 H69 B2 F8 N6 O12 -","- C136 H276 B8 F32 N24 O48 -","4","1","","Li, Yi-Rong; Zhang, Yun-Fang; Tang, Yuan-Yuan; Zhang, Han-Yue","[(Histamine)(18-crown-6)<sub>2</sub>][BF<sub>4</sub>]<sub>2</sub> is a high-temperature piezoelectric.","Chemical communications (Cambridge, England)","2022","58","33","5148","5151","10.1039/d2cc00818a","","x-ray","1.54184","CuKα","","0.1233","0.0922","","","0.2916","0.3248","","","","","","1.069","","","","has coordinates,has disorder","274626","2022-04-21","21:57:48",""
"7130009","23.2672","0.0011","23.2672","0.0011","25.827","0.002","90","","90","","90","","13981.8","1.4","90","","90","","","","","","","","","4","I 4/m","-I 4","87","","","","- C264 H312 O38 Ti13 -","- C264 H312 O38 Ti12.986 -","- C528 H624 O76 Ti25.972 -","2","0.125","","Tian, Yi-Qi; Cui, Yun-Shu; Yu, Wei-Dong; Xu, Cong-Qiao; Yi, Xiao-Yi; Yan, Jun; Li, Jun; Liu, Chao","An Ultrastable Ti-based Metallocalixarene Nanocage Cluster with Photocatalytic Amines Oxidation Activity","Chemical Communications","2022","","","","","10.1039/D2CC01740G","","x-ray","1.34139","GaKα","","0.1096","0.1035","","","0.2083","0.2104","","","","","","1.082","","","","has coordinates,has disorder","274645","2022-04-22","21:52:12",""
"7130010","8.9415","0.0009","20.8156","0.0011","11.0217","0.0008","90","","109.915","0.009","90","","1928.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Yashmin, Sabina; Ali, Rashid; Mondal, Santa; Khan, Abu Taleb","DMSO-assisted environmentally benign synthesis of benzo[c]-chromeno[4,3,2-gh]phenanthridines by remote oxidative hetero cross-coupling cyclization and aromatization reaction","Chemical Communications","2022","","","","","10.1039/D2CC01067D","","","0.71073","MoKα","","0.1397","0.0646","","","0.132","0.1737","","","","","","1.021","","","","has coordinates","274666","2022-04-25","22:02:44",""
"7130011","11.7412","0.0004","9.4283","0.0003","16.2155","0.0005","90","","97.351","0.001","90","","1780.3","0.1","190","2","190","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C48 H38 -","- C48 H38 -","- C96 H76 -","2","1","","Wang, Kaiya; Huang, Xingyi; Mohan, Makesh; Zhang, Kaituo; Zuo, Minzan; Shen, Yuhong; Zhao, Yue; Niemeyer, Jochen; Hu, Xiao-Yu","Tetraphenylethylene embedded [15]paracyclophane: AIEgen and macrocycle merged novel supramolecular hosts used for sensing Ni2+ ions","Chemical Communications","2022","","","","","10.1039/D2CC01491B","","","1.34139","GaKα","","0.0391","0.0349","","","0.0883","0.0953","","","","","","1.073","","","","has coordinates","274667","2022-04-25","22:03:20",""
"7130012","12.0998","0.001","12.6272","0.0012","17.4091","0.0013","91.781","0.003","90.797","0.003","99.727","0.003","2619.9","0.4","296.15","","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C70 H56 -","- C70 H56 -","- C140 H112 -","2","1","","Wang, Kaiya; Huang, Xingyi; Mohan, Makesh; Zhang, Kaituo; Zuo, Minzan; Shen, Yuhong; Zhao, Yue; Niemeyer, Jochen; Hu, Xiao-Yu","Tetraphenylethylene embedded [15]paracyclophane: AIEgen and macrocycle merged novel supramolecular hosts used for sensing Ni2+ ions","Chemical Communications","2022","","","","","10.1039/D2CC01491B","","","0.71073","MoKα","","0.1779","0.0778","","","0.1835","0.2389","","","","","","1.019","","","","has coordinates","274667","2022-04-25","22:03:21",""
"7130013","36.4661","0.0005","42.5825","0.0005","20.4587","0.0003","90","","99.8128","0.0014","90","","31303.9","0.7","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","qf8","","- C232 H190 Cl3.5 F16 N32 O32 -","- C232 H190 Cl3.5 F16 N32 O32 -","- C928 H760 Cl14 F64 N128 O128 -","4","1","","Yao, Chenhao; Kauffmann, Brice; Huc, Ivan; Ferrand, Yann","Self-assembling figure-of-eight and pseudoplectoneme aromatic oligoamide ribbons","Chemical Communications","2022","","","","","10.1039/D2CC01696F","","x-ray","1.54178","CuKα","","0.2018","0.1444","","","0.3926","0.4387","","","","","","1.415","","","","has coordinates,has disorder","274668","2022-04-25","22:04:26",""
"7130014","24.6529","0.0008","28.2336","0.0008","32.854","0.001","76.852","0.002","72.247","0.003","74.951","0.003","20756.6","1.2","135","","135","","","","","","","","","6","P -1","-P 1","2","","qf12macro","","- C348 H321 Cl2 F24 N48 O48 -","- C348 H321 Cl2 F24 N48 O48 -","- C696 H642 Cl4 F48 N96 O96 -","2","1","","Yao, Chenhao; Kauffmann, Brice; Huc, Ivan; Ferrand, Yann","Self-assembling figure-of-eight and pseudoplectoneme aromatic oligoamide ribbons","Chemical Communications","2022","","","","","10.1039/D2CC01696F","","x-ray","1.54178","CuKα","","0.2792","0.2225","","","0.4996","0.5454","","","","","","2.082","","","","has coordinates","274668","2022-04-25","22:04:27",""
"7130015","9.58","0.0012","12.0838","0.0015","19.887","0.003","90","","95.438","0.013","90","","2291.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O8 -","- C24 H27 N O8 -","- C96 H108 N4 O32 -","4","1","","Hou, Meifeng; Li, Jiajun; Rao, Fucai; Chen, Zuliang; Wei, Yingjing","Diastereoselective synthesis of tetrahydrobenzo[b]azocines by Lu(OTf)3-catalyzed [4+4] cycloaddition of donor–acceptor cyclobutanes with anthranils","Chemical Communications","2022","","","","","10.1039/D2CC00829G","","x-ray","0.71073","MoKα","","0.1146","0.0798","","","0.1951","0.2229","","","","","","1.059","","","","has coordinates","274696","2022-04-26","21:52:37",""
"7130016","9.5426","0.0001","14.9631","0.0002","12.0246","0.0002","90","","92.235","0.001","90","","1715.65","0.04","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Hou, Meifeng; Li, Jiajun; Rao, Fucai; Chen, Zuliang; Wei, Yingjing","Diastereoselective synthesis of tetrahydrobenzo[b]azocines by Lu(OTf)3-catalyzed [4+4] cycloaddition of donor–acceptor cyclobutanes with anthranils","Chemical Communications","2022","","","","","10.1039/D2CC00829G","","x-ray","1.54184","CuKα","","0.0382","0.0339","","","0.0901","0.0927","","","","","","1.044","","","","has coordinates","274696","2022-04-26","21:52:37",""
"7130017","10.3838","0.0003","37.4871","0.001","6.6582","0.0002","90","","90","","90","","2591.76","0.13","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H24 F N3 O4 -","- C30 H24 F N3 O4 -","- C120 H96 F4 N12 O16 -","4","1","","Ke, Chaoqi; Cao, Qiuhui; Luo, Yao; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric amination of azlactones with azobenzenes","Chemical Communications","2022","","","","","10.1039/D2CC01656G","","","1.54178","CuKα","","0.0467","0.0407","","","0.0987","0.1068","","","","","","1.066","","","","has coordinates","274697","2022-04-26","21:53:15",""
"7130018","11.9119","0.0005","20.9804","0.0009","13.038","0.0005","90","","105.863","0.001","90","","3134.3","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 Nd O17 S3 -","- C49 H78 F9 N4 Nd O17 S3 -","- C98 H156 F18 N8 Nd2 O34 S6 -","2","1","","Ke, Chaoqi; Cao, Qiuhui; Luo, Yao; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric amination of azlactones with azobenzenes","Chemical Communications","2022","","","","","10.1039/D2CC01656G","","","0.71073","MoKα","","0.0225","0.0216","","","0.0485","0.05","","","","","","1.113","","","","has coordinates,has disorder","274697","2022-04-26","21:53:15",""
"7130019","10.694","0.004","15.017","0.006","3.5633","0.0015","90","","90","","90","","572.2","0.4","273","2","273","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Nb0.67 Pt Se2.67 -","- Nb0.666667 Pt Se2.66667 -","- Nb4 Pt6 Se16 -","6","0.75","","Luo, Mengjia; Wu, Tong; Xu, Shumao; Wang, Ruiqi; Huang, Fu Qiang","Pt modulation NbSe2 with enhanced activity and stability: A new Pt3Nb2Se8 compound for highly-efficient alkaline hydrogen evolution","Chemical Communications","2022","","","","","10.1039/D2CC01765B","","","0.71073","MoKα","","0.0421","0.0273","","","0.0372","0.039","","","","","","1.066","","","","has coordinates","274698","2022-04-26","21:53:45",""
"7130020","6.3429","0.0012","15.1467","0.0018","12.996","0.0016","90","","103.927","0.017","90","","1211.9","0.3","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-(pyrrolidin-1-yl)naphtho[1,2-d]oxazole","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Roy, Subhra Kanti; Purkait, Anisha; Shome, Rajib; Das, Saurav; Das, Debapratim; Ghosh, Siddhartha Sankar; Jana, Chandan K.","Proline selective labeling via on-site construction of naphthoxazole (NapOx)","Chemical Communications","2022","","","","","10.1039/D2CC01268E","","x-ray","0.71073","MoKα","","0.0969","0.0746","","","0.1996","0.2267","","","","","","1.096","","","","has coordinates","274718","2022-04-27","21:53:35",""
"7130021","11.6978","0.0006","5.1772","0.0002","14.0219","0.0007","90","","107.748","0.006","90","","808.78","0.07","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","2-(azepan-1-yl)phenanthro[9,10-d]oxazole","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Roy, Subhra Kanti; Purkait, Anisha; Shome, Rajib; Das, Saurav; Das, Debapratim; Ghosh, Siddhartha Sankar; Jana, Chandan K.","Proline selective labeling via on-site construction of naphthoxazole (NapOx)","Chemical Communications","2022","","","","","10.1039/D2CC01268E","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.1148","0.1205","","","","","","1.199","","","","has coordinates","274718","2022-04-27","21:53:36",""
"7130022","5.3217","0.0004","26.679","0.0017","10.0784","0.0006","90","","102.466","0.004","90","","1397.17","0.16","296","2","296","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-(azepan-1-yl)naphtho[2,1-d]oxazole","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Roy, Subhra Kanti; Purkait, Anisha; Shome, Rajib; Das, Saurav; Das, Debapratim; Ghosh, Siddhartha Sankar; Jana, Chandan K.","Proline selective labeling via on-site construction of naphthoxazole (NapOx)","Chemical Communications","2022","","","","","10.1039/D2CC01268E","","x-ray","0.71073","MoKα","","0.0837","0.0658","","","0.2117","0.2268","","","","","","1.593","","","","has coordinates","274718","2022-04-27","21:53:36",""
"7130023","13.168","0.003","15.978","0.004","17.17","0.004","78.706","0.007","82.726","0.007","74.748","0.007","3407","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H62 Cl3 N3 O4 S4 -","- C61 H62 Cl3 N3 O4 S4 -","- C122 H124 Cl6 N6 O8 S8 -","2","1","","Jin, Zongwen; Zhao, Jiang-Lin; Xuan, Shuguang; Chen, Yan; Chen, Kai; Redshaw, Carl","Highly selective recognition of the Al(ClO4)3 molecule by a mono-pyrene substituted thiacalix[4]arene chemosensor","Chemical Communications","2022","","","","","10.1039/D2CC01609E","","","0.71073","MoKα","","0.1086","0.0796","","","0.1659","0.1755","","","","","","1.029","","","","has coordinates","274719","2022-04-27","21:54:19",""
"7130024","13.6599","0.0017","15.397","0.002","15.955","0.002","73.023","0.006","69.682","0.005","71.576","0.005","2922.3","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H63 Cl2 N4 O4 S4 -","- C60 H63 Cl2 N4 O4 S4 -","- C120 H126 Cl4 N8 O8 S8 -","2","1","","Jin, Zongwen; Zhao, Jiang-Lin; Xuan, Shuguang; Chen, Yan; Chen, Kai; Redshaw, Carl","Highly selective recognition of the Al(ClO4)3 molecule by a mono-pyrene substituted thiacalix[4]arene chemosensor","Chemical Communications","2022","","","","","10.1039/D2CC01609E","","","1.34139","GaKα","","0.089","0.0741","","","0.2176","0.2336","","","","","","1.093","","","","has coordinates","274719","2022-04-27","21:54:19",""
"7130025","8.4721","0.0003","16.1858","0.0007","14.3123","0.0006","90","","105.975","0.001","90","","1886.82","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br O -","- C27 H17 Br O -","- C108 H68 Br4 O4 -","4","1","","Silber, Vincent; Kyritsakas, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ruppert, Romain","Synthesis of a helicene-fused porphyrin leading to a π-extended chiral chromophore","Chemical Communications","2022","","","","","10.1039/D2CC01475K","","","0.71073","MoKα","","0.0359","0.0278","","","0.0643","0.069","","","","","","1.061","","","","has coordinates","274720","2022-04-27","21:55:27",""
"7130026","11.5972","0.0004","12.8994","0.0005","13.7902","0.0005","90","","114.217","0.001","90","","1881.43","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O2 -","- C28 H18 O2 -","- C112 H72 O8 -","4","1","","Silber, Vincent; Kyritsakas, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ruppert, Romain","Synthesis of a helicene-fused porphyrin leading to a π-extended chiral chromophore","Chemical Communications","2022","","","","","10.1039/D2CC01475K","","","0.71073","MoKα","","0.0439","0.0375","","","0.0969","0.1034","","","","","","1.017","","","","has coordinates","274720","2022-04-27","21:55:28",""
"7130027","14.6897","0.0005","14.0457","0.0006","20.6528","0.0007","90","","104.441","0.001","90","","4126.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br O2 -","- C28 H19 Br O2 -","- C224 H152 Br8 O16 -","8","2","","Silber, Vincent; Kyritsakas, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ruppert, Romain","Synthesis of a helicene-fused porphyrin leading to a π-extended chiral chromophore","Chemical Communications","2022","","","","","10.1039/D2CC01475K","","","0.71073","MoKα","","0.0389","0.0295","","","0.0709","0.0764","","","","","","1.006","","","","has coordinates","274720","2022-04-27","21:55:29",""
"7130028","13.2857","0.0005","15.5135","0.0006","35.8022","0.0015","90","","95.347","0.002","90","","7347","0.5","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N4 O2 en lv so t -","- C84 H80 N4 O2 -","- C336 H320 N16 O8 -","4","1","","Silber, Vincent; Kyritsakas, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ruppert, Romain","Synthesis of a helicene-fused porphyrin leading to a π-extended chiral chromophore","Chemical Communications","2022","","","","","10.1039/D2CC01475K","","","1.54178","CuKα","","0.0766","0.0649","","","0.2214","0.2271","","","","","","1.217","","","","has coordinates,has disorder","274720","2022-04-27","21:55:29",""
"7130029","8.13035","0.00013","9.45773","0.00018","10.76925","0.00013","97.5378","0.0013","107.112","0.0013","114.862","0.0017","686.37","0.02","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C2.25 H2.75 Cd0.25 Cl0.5 N0.25 O1.5 -","- C2.25 H2.75 Cd0.25 Cl0.5 N0.25 O1.5 -","- C18 H22 Cd2 Cl4 N2 O12 -","8","4","","Siqin, Wu; Zhou, Bo; Fang, Xiaoyu; Yan, Dongpeng","Chelation-activated ultralong room-temperature phosphorescence and thermo-/excitation-dependent persistent luminescence","Chemical Communications","2022","","","","","10.1039/D2CC01485H","","x-ray","1.54184","CuKα","","0.0279","0.027","","","0.0714","0.0723","","","","","","1.099","","","","has coordinates","274721","2022-04-27","21:56:56",""
"7130030","11.4639","0.0004","14.559","0.0004","14.1126","0.0004","90","","100.388","0.003","90","","2316.83","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.55 H2.06 Cd0.12 N0.61 O1.33 -","- C2.54545 H2.06061 Cd0.121212 N0.606061 O1.33333 -","- C84 H68 Cd4 N20 O44 -","33","8.25","","Siqin, Wu; Zhou, Bo; Fang, Xiaoyu; Yan, Dongpeng","Chelation-activated ultralong room-temperature phosphorescence and thermo-/excitation-dependent persistent luminescence","Chemical Communications","2022","","","","","10.1039/D2CC01485H","","x-ray","1.54184","CuKα","","0.0573","0.0543","","","0.1479","0.1506","","","","","","1.068","","","","has coordinates","274721","2022-04-27","21:56:56",""
"7130031","10.352","0.002","14.444","0.003","19.699","0.004","85.17","0.03","79.84","0.03","72.63","0.03","2765.5","1.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C106.74 H97.64 Cl4 F13.48 N12 O22.85 Ru4 S4 -","- C106.752 H97.82 Cl4 F13.504 N12 O22.84 Ru4 S4 -","- C106.752 H97.82 Cl4 F13.504 N12 O22.84 Ru4 S4 -","1","0.5","","Kim, Younghun; Kang, Philjae; Oh, Hansol; Cho, Hyeon Mo; Choi, Moon-Gun","Altering Binding Affinities of Tetraruthenocycles for Polycyclic Aromatic Hydrocarbons by Post-Assembly Modification","Chemical Communications","2022","","","","","10.1039/D2CC01544G","","","0.63","synchrotron","","0.0661","0.0613","","","0.1837","0.1883","","","","","","1.056","","","","has coordinates,has disorder","274797","2022-05-02","22:03:16",""
"7130032","5.7848","0.0003","11.3961","0.0005","21.8769","0.0009","90","","91.52","0.004","90","","1441.71","0.11","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Cai, Shuai-Fang; Qiu, Li-Qi; Huang, Wen-Bin; Li, Hongru; He, Liang-Nian","Palladium-Catalyzed Carboxylative Cyclization of Propargylic Amines with Aryl Iodides, CO2 and CO at Ambient Pressure","Chemical Communications","2022","","","","","10.1039/D2CC01635D","","x-ray","0.71073","MoKα","","0.0615","0.0467","","","0.1109","0.1212","","","","","","1.018","","","","has coordinates","274798","2022-05-02","22:03:40",""
"7130033","13.5626","0.0006","16.9269","0.0008","17.6821","0.0008","87.311","0.004","88.052","0.004","83.508","0.004","4027.2","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H69 Cl8 O2 P4 Re2 -","- C70 H69 Cl8 O2 P4 Re2 -","- C140 H138 Cl16 O4 P8 Re4 -","2","1","","Bai, Wei; Sun, Yue; Wang, Yilun; Zhou, Yan; Zhao, Yue; Bao, Xiao; Yang, Li","An aromatic dimetallapolycyclic complex with two rhenapyrylium rings","Chemical Communications","2022","","","","","10.1039/D2CC01789J","","x-ray","1.54178","CuKα","","0.1568","0.1105","","","0.2699","0.2942","","","","","","1.058","","","","has coordinates","274799","2022-05-02","22:04:16",""
"7130034","10.3695","0.0006","12.1973","0.0008","16.6779","0.001","97.106","0.001","96.7","0.001","102.413","0.001","2021.8","0.2","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl5 O P2 Re -","- C40 H36 Cl5 O P2 Re -","- C80 H72 Cl10 O2 P4 Re2 -","2","1","","Bai, Wei; Sun, Yue; Wang, Yilun; Zhou, Yan; Zhao, Yue; Bao, Xiao; Yang, Li","An aromatic dimetallapolycyclic complex with two rhenapyrylium rings","Chemical Communications","2022","","","","","10.1039/D2CC01789J","","","0.71073","MoKα","","0.0253","0.0243","","","0.0623","0.0628","","","","","","1.048","","","","has coordinates","274799","2022-05-02","22:04:16",""
"7130035","15.2975","0.0003","17.9538","0.0003","23.1279","0.0005","85.023","0.002","85.23","0.002","75.808","0.002","6122.3","0.2","100","0.1","100","","","","","","","","","6","P -1","-P 1","2","","","","- C71.04 H133.07 K4 N8 O24 Sn18 -","- C70.992 H133.064 K4 N8 O24 Sn18 -","- C141.984 H266.128 K8 N16 O48 Sn36 -","2","1","","Tkachenko, Nikolay V.; Chen, Wei-Xing; Morgan, Harry W. T.; Muñoz-castro, A.; Boldyrev, Alexander; Sun, Zhong-Ming","Sn368–: A 2.7 nm Naked Aromatic Tin Rod","Chemical Communications","2022","","","","","10.1039/D2CC01745H","","","1.54178","CuKα","","0.1243","0.0885","","","0.2134","0.2418","","","","","","0.956","","","","has coordinates,has disorder","274800","2022-05-02","22:04:50",""
"7130036","18.55436","0.00011","7.9014","0.00004","8.22574","0.00005","90","","102.676","0.0006","90","","1176.55","0.012","99.98","0.11","99.98","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 B F3 K N O -","- C10 H8 B F3 K N O -","- C40 H32 B4 F12 K4 N4 O4 -","4","1","","Bowen, Johnathan; Slebodnick, Carla; Santos, Webster L.","Phosphine-catalyzed hydroboration of propiolonitriles: access to (<i>E</i>)-1,2-vinylcyanotrifluoroborate derivatives.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc00603k","","x-ray","1.54184","CuKα","","0.0241","0.024","","","0.0631","0.0632","","","","","","1.058","","","","has coordinates","274801","2022-05-02","22:05:14",""
"7130037","9.7165","0.0013","11.402","0.002","15.962","0.002","90","","90","","90","","1768.4","0.4","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 F3 N O -","- C22 H14 F3 N O -","- C88 H56 F12 N4 O4 -","4","1","","Liang, Ren-Xiao; Chen, Jian-Fei; Huang, Ying-Ying; Yu, Ya-Ping; Zhang, Han-Yue; Song, Yu-Feng; Tsui, Gavin Chit; Jia, Yi-Xia","Enantioselective Pd-Catalyzed Dearomative Reductive Heck and Domino Heck-Suzuki Reactions of 2-CF3-Indoles","Chemical Communications","2022","","","","","10.1039/D2CC01435A","","","1.54178","CuKα","","0.0292","0.029","","","0.0727","0.0729","","","","","","1.072","","","","has coordinates","274802","2022-05-02","22:05:47",""
"7130038","10.5776","0.0005","6.1725","0.0003","12.0797","0.0006","90","","107.532","0.002","90","","752.05","0.06","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H9 F6 N O -","- C17 H9 F6 N O -","- C34 H18 F12 N2 O2 -","2","1","","Liang, Ren-Xiao; Chen, Jian-Fei; Huang, Ying-Ying; Yu, Ya-Ping; Zhang, Han-Yue; Song, Yu-Feng; Tsui, Gavin Chit; Jia, Yi-Xia","Enantioselective Pd-Catalyzed Dearomative Reductive Heck and Domino Heck-Suzuki Reactions of 2-CF3-Indoles","Chemical Communications","2022","","","","","10.1039/D2CC01435A","","","1.54178","CuKα","","0.0321","0.0317","","","0.0786","0.079","","","","","","1.075","","","","has coordinates","274802","2022-05-02","22:05:48",""
"7130039","9.723","0.005","17.085","0.016","18.323","0.011","90","","90","","90","","3044","4","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N3 O4 S -","- C35 H35 N3 O4 S -","- C140 H140 N12 O16 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0517","0.0434","","","0.1","0.1058","","","","","","1.028","","","","has coordinates","274853","2022-05-03","21:53:19",""
"7130040","9.5543","0.0005","30.4522","0.0016","9.4819","0.0004","90","","90","","90","","2758.8","0.2","170","2","170","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H29 N3 O4 S -","- C31 H29 N3 O4 S -","- C124 H116 N12 O16 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0381","0.0335","","","0.0775","0.0802","","","","","","1.069","","","","has coordinates","274853","2022-05-03","21:53:19",""
"7130041","11.8054","0.0016","17.024","0.002","17.981","0.002","90","","90","","90","","3613.7","0.8","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N4 O5 S -","- C42 H38 N4 O5 S -","- C168 H152 N16 O20 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0513","0.0426","","","0.1002","0.1065","","","","","","1.04","","","","has coordinates,has disorder","274853","2022-05-03","21:53:20",""
"7130042","23.276","0.003","21.164","0.003","29.506","0.004","90","","90","","90","","14535","3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H88 F12 Mn N14 O2 P2 -","- C70 H88 F12 Mn N14 O2 P2 -","- C560 H704 F96 Mn8 N112 O16 P16 -","8","1","","Wittwer, Benjamin; Dickmann, Nicole; Berg, Stephan; Leitner, Daniel; Tesi, Lorenzo; Hunger, David; Gratzl, Raphael; van Slageren, Joris; Neuman, Nicolas I.; Munz, Dominik; Hohloch, Stephan","A mesoionic carbene complex of manganese in five oxidation states","Chemical Communications","2022","","","","","10.1039/D2CC00097K","","","0.71073","MoKα","","0.1032","0.0568","","","0.1346","0.163","","","","","","1.067","","","","has coordinates","274854","2022-05-03","21:54:17",""
"7130043","13.8631","0.0005","30.7863","0.001","17.6752","0.0006","90","","98.852","0.001","90","","7453.8","0.4","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 F6 Mn N14 P -","- C64 H76 F6 Mn N14 P -","- C256 H304 F24 Mn4 N56 P4 -","4","1","","Wittwer, Benjamin; Dickmann, Nicole; Berg, Stephan; Leitner, Daniel; Tesi, Lorenzo; Hunger, David; Gratzl, Raphael; van Slageren, Joris; Neuman, Nicolas I.; Munz, Dominik; Hohloch, Stephan","A mesoionic carbene complex of manganese in five oxidation states","Chemical Communications","2022","","","","","10.1039/D2CC00097K","","","0.71073","MoKα","","0.103","0.0844","","","0.2168","0.2336","","","","","","1.031","","","","has coordinates","274854","2022-05-03","21:54:18",""
"7130044","10.2426","0.0014","18.554","0.003","12.2554","0.0017","90","","91.745","0.003","90","","2328","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O3 -","- C25 H31 N3 O3 -","- C100 H124 N12 O12 -","4","1","","Leleu, Ludovic; Martzel, Thomas; Fall, Arona; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Brière, Jean-François","Diastereoselective addition of redox active esters to azomethine imines by electrosynthesis","Chemical Communications","2022","","","","","10.1039/D2CC01795D","","x-ray","0.71073","MoKα","","0.1074","0.0521","","","0.1099","0.1295","","","","","","0.836","","","","has coordinates","274855","2022-05-03","21:54:57",""
"7130045","11.589","0.002","12.259","0.002","11.867","0.002","90","","110.793","0.003","90","","1576.1","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Leleu, Ludovic; Martzel, Thomas; Fall, Arona; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Brière, Jean-François","Diastereoselective addition of redox active esters to azomethine imines by electrosynthesis","Chemical Communications","2022","","","","","10.1039/D2CC01795D","","","0.71073","MoKα","","0.0543","0.0326","","","0.0626","0.0658","","","","","","0.789","","","","has coordinates","274855","2022-05-03","21:54:58",""
"7130046","16.624","0.0005","9.8728","0.0003","19.5796","0.0006","90","","90","","90","","3213.51","0.17","293","14","293","14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Nunewar, Saiprasad; Kumar, Sanjeev; Priyanka, Pendam; Girase, Pradeep; Kanchupalli, Vinaykumar","The solvent-controlled Rh(iii)-catalyzed switchable [4+2] annulation of 2-arylIndoles with iodonium ylides","Chemical Communications","2022","","","","","10.1039/D2CC01386J","","x-ray","0.71073","MoKα","","0.0703","0.0452","","","0.1107","0.1226","","","","","","1.0241","","","","has coordinates","274890","2022-05-04","21:53:53",""
"7130047","5.1663","0.0015","20.19","0.007","14.945","0.005","90","","96.836","0.013","90","","1547.8","0.9","296","2","296","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Nunewar, Saiprasad; Kumar, Sanjeev; Priyanka, Pendam; Girase, Pradeep; Kanchupalli, Vinaykumar","The solvent-controlled Rh(iii)-catalyzed switchable [4+2] annulation of 2-arylIndoles with iodonium ylides","Chemical Communications","2022","","","","","10.1039/D2CC01386J","","","0.71073","MoKα","","0.0947","0.0937","","","0.183","0.1845","","","","","","1.285","","","","has coordinates","274890","2022-05-04","21:53:56",""
"7130048","18.104","0.004","18.104","0.004","17.218","0.004","90","","90","","120","","4887.2","1.9","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H8 N Ni O6 -","- C8 H8 N Ni O6 -","- C96 H96 N12 Ni12 O72 -","12","1","","Zhang, Bin; Li, Xiu-Yuan; Lu, Yu-Ke; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","C2H2 capture and separation in a MOF based on Ni6 trigonal-prismatic units","Chemical Communications","2022","","","","","10.1039/D2CC01506D","","","0.71073","MoKα","","0.083","0.045","","","0.0972","0.1107","","","","","","0.927","","","","has coordinates,has disorder","274891","2022-05-04","21:54:27",""
"7130049","11.048","0.002","14.012","0.003","19.725","0.004","80.978","0.007","87.207","0.006","69.507","0.006","2824.8","1","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H154 N4 O5 P2 Si2 Zn2 -","- C126 H154 N4 O5 P2 Si2 Zn2 -","- C126 H154 N4 O5 P2 Si2 Zn2 -","1","0.5","","Baalbaki, Hassan A.; Shu, Julia; Nyamayaro, Kudzanai; Jung, Hyuk-Joon; Mehrkhodavandi, Parisa","Thermally stable zinc hydride catalyst for hydrosilylation of CO2 to silyl formate at atmospheric pressure","Chemical Communications","2022","","","","","10.1039/D2CC01498J","","","0.71073","MoKα","","0.0424","0.037","","","0.1022","0.1061","","","","","","1.04","","","","has coordinates,has disorder","274892","2022-05-04","21:55:15",""
"7130050","8.0842","0.0008","23.079","0.002","20.076","0.002","90","","92.997","0.003","90","","3740.6","0.6","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 N2 O P Zn -","- C42 H55 N2 O P Zn -","- C168 H220 N8 O4 P4 Zn4 -","4","1","","Baalbaki, Hassan A.; Shu, Julia; Nyamayaro, Kudzanai; Jung, Hyuk-Joon; Mehrkhodavandi, Parisa","Thermally stable zinc hydride catalyst for hydrosilylation of CO2 to silyl formate at atmospheric pressure","Chemical Communications","2022","","","","","10.1039/D2CC01498J","","","0.71073","MoKα","","0.0515","0.0363","","","0.0724","0.0767","","","","","","1.031","","","","has coordinates","274892","2022-05-04","21:55:18",""
"7130051","9.858","0.0013","13.1069","0.0017","15.788","0.002","72.988","0.003","75.997","0.003","83.549","0.003","1890.8","0.4","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H51 N2 O3 P Zn -","- C41 H51 N2 O3 P Zn -","- C82 H102 N4 O6 P2 Zn2 -","2","1","","Baalbaki, Hassan A.; Shu, Julia; Nyamayaro, Kudzanai; Jung, Hyuk-Joon; Mehrkhodavandi, Parisa","Thermally stable zinc hydride catalyst for hydrosilylation of CO2 to silyl formate at atmospheric pressure","Chemical Communications","2022","","","","","10.1039/D2CC01498J","","","0.71073","MoKα","","0.05","0.0363","","","0.0879","0.0952","","","","","","1.02","","","","has coordinates,has disorder","274892","2022-05-04","21:55:21",""
"7130052","12.013","0.0014","6.5987","0.0007","36.445","0.004","90","","90","","90","","2889","0.6","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Cl2 -","- C19 H12 Cl2 -","- C152 H96 Cl16 -","8","1","","Wu, Yu; Wu, Feng-Wei; Zhou, Kun; Li, Yiming; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Rapid access to 9-arylfluorene and spirobifluorene through Pd-catalysed C–H arylation/deaminative annulation","Chemical Communications","2022","","","","","10.1039/D2CC01355J","","x-ray","1.34139","GaKα","","0.0672","0.0516","","","0.1414","0.1536","","","","","","1.081","","","","has coordinates","274893","2022-05-04","21:56:11",""
"7130053","9.05","0.0009","6.2114","0.0006","24.788","0.002","90","","96.943","0.006","90","","1383.2","0.2","193","","193","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl -","- C19 H13 Cl -","- C76 H52 Cl4 -","4","1","","Wu, Yu; Wu, Feng-Wei; Zhou, Kun; Li, Yiming; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Rapid access to 9-arylfluorene and spirobifluorene through Pd-catalysed C–H arylation/deaminative annulation","Chemical Communications","2022","","","","","10.1039/D2CC01355J","","x-ray","1.34139","GaKα","","0.1076","0.0598","","","0.1459","0.1658","","","","","","1.076","","","","has coordinates,has disorder","274893","2022-05-04","21:56:14",""
"7130054","11.4033","0.0001","12.515","0.0001","16.4259","0.0001","90","","90","","90","","2344.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Li, Hang; Mirzayans, Paul; Butler, Mark Stuart; Lacey, Alastair E.; Vuong, Daniel; Chen, Rachel; Kalaitzis, John A.; Moggach, Stephen A.; Lacey, Ernest; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery of brevijanazines from Aspergillus brevijanus reveals the molecular basis for p-nitrobenzoic acid in fungi","Chemical Communications","2022","","","","","10.1039/D2CC01679F","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0845","0.0856","","","","","","1.057","","","","has coordinates","274894","2022-05-04","21:56:46",""
"7130055","19.8638","0.0017","25.7523","0.0018","13.9633","0.001","90","","90","","90","","7142.8","0.9","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C123 H120 Dy2 F18 Fe4 N28 O31 S6 -","- C116 H100 Dy2 F12 Fe4 N28 O20 S4 -","- C232 H200 Dy4 F24 Fe8 N56 O40 S8 -","2","0.25","","Liberka, Michal; Zychowicz, Mikolaj; Zychowicz, Wiktor; Chorazy, Szymon","Neutral dicyanidoferrate(II) metalloligands for the rational design of dysprosium(III) single-molecule magnets","Chemical Communications","2022","","","","","10.1039/D2CC02238A","","x-ray","0.71073","MoKα","","0.0726","0.0486","","","0.0961","0.1035","","","","","","1.021","","","","has coordinates","274895","2022-05-04","21:57:41",""
"7130056","20.6454","0.0009","25.4847","0.0011","14.6915","0.0005","90","","90","","90","","7729.8","0.5","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C139 H120 Dy2 F18 Fe4 N28 O31 S6 -","- C128 H100 Dy2 Fe4 N28 O8 -","- C256 H200 Dy4 Fe8 N56 O16 -","2","0.25","","Liberka, Michal; Zychowicz, Mikolaj; Zychowicz, Wiktor; Chorazy, Szymon","Neutral dicyanidoferrate(II) metalloligands for the rational design of dysprosium(III) single-molecule magnets","Chemical Communications","2022","","","","","10.1039/D2CC02238A","","x-ray","0.71073","MoKα","","0.0756","0.0642","","","0.1537","0.1596","","","","","","1.114","","","","has coordinates","274895","2022-05-04","21:57:44",""
"7130057","13.1119","0.0005","14.6483","0.0004","12.6716","0.0005","90","","117.937","0.005","90","","2150.17","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Wang, Lei; Huang, Zitong; Guo, Xiaoyu; Liu, Jian; Dong, Jinhuan; Xu, Xianxiu","Diastereodivergent synthesis of chromeno[2,3-b]chromenes by tuning the full reactivity centers of isocyanoacetate","Chemical Communications","2022","","","","","10.1039/D2CC01632J","","x-ray","1.54184","CuKα","","0.0434","0.036","","","0.0949","0.1018","","","","","","1.038","","","","has coordinates","274896","2022-05-04","21:58:33",""
"7130058","7.0756","0.0005","12.6433","0.0014","13.6801","0.0014","102.608","0.009","104.04","0.008","106.219","0.008","1084.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 F2 N O3 -","- C29 H19 F2 N O3 -","- C58 H38 F4 N2 O6 -","2","1","","Wang, Lei; Huang, Zitong; Guo, Xiaoyu; Liu, Jian; Dong, Jinhuan; Xu, Xianxiu","Diastereodivergent synthesis of chromeno[2,3-b]chromenes by tuning the full reactivity centers of isocyanoacetate","Chemical Communications","2022","","","","","10.1039/D2CC01632J","","x-ray","1.54184","CuKα","","0.0476","0.0418","","","0.1116","0.1177","","","","","","1.078","","","","has coordinates","274896","2022-05-04","21:58:36",""
"7130059","9.709","0.0005","15.8571","0.0006","10.2126","0.0005","90","","106.923","0.005","90","","1504.21","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","","0.71073","MoKα","","0.0657","0.0478","","","0.109","0.1205","","","","","","1.041","","","","has coordinates","275081","2022-05-05","21:52:59",""
"7130060","11.9211","0.0006","7.5981","0.0003","17.16","0.001","90","","109.38","0.006","90","","1466.24","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","","0.71073","MoKα","","0.0799","0.0545","","","0.1316","0.1509","","","","","","1.049","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130061","11.2707","0.0004","18.5868","0.0005","16.0997","0.0005","90","","110.192","0.004","90","","3165.39","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","2","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","","0.71073","MoKα","","0.0801","0.0543","","","0.1298","0.1464","","","","","","1.044","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130062","9.0338","0.0004","12.58","0.0006","13.9834","0.0006","90","","90","","90","","1589.15","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","x-ray","0.71073","MoKα","","0.0642","0.0499","","","0.1052","0.1149","","","","","","1.106","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130063","12.8274","0.0005","9.7027","0.0004","12.2527","0.0005","90","","92.669","0.004","90","","1523.32","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","x-ray","0.71073","MoKα","","0.0815","0.0551","","","0.1188","0.1365","","","","","","1.042","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130064","19.2614","0.0016","5.0789","0.0004","19.9253","0.0017","90","","115.61","0.01","90","","1757.7","0.3","295","2","295","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","2","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","","0.71073","MoKα","","0.085","0.0548","","","0.1242","0.1507","","","","","","1.082","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130065","23.157","0.0003","23.157","0.0003","68.8908","0.0012","90","","90","","120","","31993.1","0.8","120","2","120","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","5,11,17,23,29,35-hexa-t-butyl-37,39,41-trimethoxy-38,40,42-tris(2-(4-(3,5-bis(trifluoromethyl)phenyl)-5-iodo-1,2,3-triazolyl)ethoxy)calix(6)arenehydrate dichloromethane solvate","1,1',1''-(((15,35,55,75,95,115-hexa-tert-butyl-32,72,112-trimethoxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-12,52,92-triyl)tris(oxy))tris(ethane-2,1-diyl))tris(4-(3,5-bis(trifluoromethyl)phenyl)-5-iodo-1H-1,2,3-triazole) hydrate dichloromethane solvate","","- C105.72 H109.11 Cl1.44 F18 I3 N9 O6.45 -","- C105.724 H109.115 Cl1.44 F18.0018 I3.0003 N9.0009 O6.4454 -","- C1268.68 H1309.38 Cl17.28 F216.022 I36.0036 N108.011 O77.3448 -","12","0.333333","","Singh, Anurag; Torres-Huerta, Aaron; Vanderlinden, Tom; Renier, Nathan; Martínez-Crespo, Luis; Tumanov, Nikolay; Wouters, Johan; Bartik, Kristin; Jabin, Ivan; Valkenier, Hennie","Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters","Chemical Communications","2022","","","","","10.1039/D2CC00847E","","","1.54184","CuKα","","0.0758","0.0724","","","0.1766","0.1786","","","","","","1.11","","","","has coordinates,has disorder","275148","2022-05-06","21:51:54",""
"7130066","21.671","0.006","21.671","0.006","40.013","0.013","90","","90","","120","","16274","8","200","2","200","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C210 H150 Cu12 N30 O84 -","- C210 H150 Cu12 N30 O84 -","- C420 H300 Cu24 N60 O168 -","2","0.166667","","Liu, Li-Hua; Liu, Lin; Chi, Hao-Ran; Li, Chen-Ning; Han, Zheng-Bo","A [(M2)6L8] metal–organic polyhedron with high CO2 uptake and efficient chemical conversion of CO2 under ambient conditions","Chemical Communications","2022","","","","","10.1039/D2CC01734B","","","0.71073","MoKα","","0.1107","0.0909","","","0.1986","0.2159","","","","","","1.084","","","","has coordinates","275282","2022-05-09","21:52:03",""
"7130067","10.1539","0.0003","12.0599","0.0004","13.1132","0.0005","80.675","0.006","84.497","0.006","87.33","0.006","1576.47","0.1","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H41 Cu F3 N4 O6 S -","- C29 H41 Cu F3 N4 O6 S -","- C58 H82 Cu2 F6 N8 O12 S2 -","2","1","","Shima, Yuto; Suzuki, Takashi; Abe, Hitoshi; Yajima, Tatsuo; Mori, Seiji; Shimazaki, Yuichi","Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species","Chemical Communications","2022","","","","","10.1039/D2CC01409B","","","0.71075","MoKα","","0.0862","0.0562","","","0.1197","0.1314","","","","","","1.025","","","","has coordinates","275342","2022-05-11","21:53:02",""
"7130068","9.719","0.0008","22.498","0.002","12.1552","0.001","90","","105.257","0.007","90","","2564.2","0.4","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 B Cu F4 N4 O -","- C25 H30 B Cu F4 N4 O -","- C100 H120 B4 Cu4 F16 N16 O4 -","4","1","","Shima, Yuto; Suzuki, Takashi; Abe, Hitoshi; Yajima, Tatsuo; Mori, Seiji; Shimazaki, Yuichi","Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species","Chemical Communications","2022","","","","","10.1039/D2CC01409B","","","0.71075","MoKα","","0.1213","0.0728","","","0.1806","0.214","","","","","","1.022","","","","has coordinates","275342","2022-05-11","21:53:03",""
"7130069","11.9251","0.0013","14.574","0.003","23.16","0.005","79.492","0.01","75.784","0.009","70.683","0.009","3659.6","1.2","133","","133","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H81 B3 Cl10 Cu2 F12 N8 O3 -","- C59 H80 B3 Cl10 Cu2 F12 N8 O3 -","- C118 H160 B6 Cl20 Cu4 F24 N16 O6 -","2","1","","Shima, Yuto; Suzuki, Takashi; Abe, Hitoshi; Yajima, Tatsuo; Mori, Seiji; Shimazaki, Yuichi","Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species","Chemical Communications","2022","","","","","10.1039/D2CC01409B","","","0.71075","MoKα","","0.086","0.0769","","","0.1853","0.1891","","","","","","1.199","","","","has coordinates","275342","2022-05-11","21:53:03",""
"7130070","11.7542","0.0009","15.1892","0.0015","16.263","0.0014","115.095","0.008","102.698","0.007","96.747","0.007","2491.1","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H59 B Cu N4 O -","- C61 H59 B Cu N4 O -","- C122 H118 B2 Cu2 N8 O2 -","2","1","","Shima, Yuto; Suzuki, Takashi; Abe, Hitoshi; Yajima, Tatsuo; Mori, Seiji; Shimazaki, Yuichi","Non-innocent redox behavior of CuII–p-dimethylaminophenolate complexes: formation and characterization of the CuI–phenoxyl radical species","Chemical Communications","2022","","","","","10.1039/D2CC01409B","","","0.71075","MoKα","","0.046","0.038","","","0.0989","0.1033","","","","","","1.046","","","","has coordinates","275342","2022-05-11","21:53:03",""
"7130071","9.9342","0.0003","27.1838","0.0008","11.0297","0.0003","90","","103.524","0.001","90","","2895.97","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Au Cl S Si5 -","- C20 H48 Au Cl S Si5 -","- C80 H192 Au4 Cl4 S4 Si20 -","4","1","","Li, Yinhuan; Guorong, Zhen; Lu, Huang; Rong, Zhang; Wang, Liliang; Qi, Fan; Kira, Mitsuo; Li, Zhifang","Trinuclear anionic gold clusters bridged by dialkylsilylene and dialkylgermylene","Chemical Communications","2022","","","","","10.1039/D2CC02054H","","x-ray","1.54178","CuKα","","0.0741","0.0727","","","0.1908","0.1926","","","","","","1.139","","","","has coordinates","275343","2022-05-11","21:54:09",""
"7130072","18.0257","0.0007","19.7111","0.0008","28.0391","0.001","90","","90","","90","","9962.5","0.7","200","","200","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C56 H134 Au3 K O2 Si15 -","- C48 H120 Au3 K Si15 -","- C192 H480 Au12 K4 Si60 -","4","0.5","","Li, Yinhuan; Guorong, Zhen; Lu, Huang; Rong, Zhang; Wang, Liliang; Qi, Fan; Kira, Mitsuo; Li, Zhifang","Trinuclear anionic gold clusters bridged by dialkylsilylene and dialkylgermylene","Chemical Communications","2022","","","","","10.1039/D2CC02054H","","x-ray","1.54178","CuKα","","0.0951","0.0834","","","0.2461","0.2586","","","","","","1.049","","","","has coordinates","275343","2022-05-11","21:54:10",""
"7130073","10.8702","0.001","14.0428","0.0012","18.3564","0.0016","90","","90","","90","","2802.1","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F4 N O2 Rh S -","- C29 H32 F4 N O2 Rh S -","- C116 H128 F16 N4 O8 Rh4 S4 -","4","1","","Trifonova, Evgeniya A.; Ankudinov, Nikita M.; Chusov, Denis; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Asymmetric cyclopropanation of electron-rich alkenes by the racemic diene rhodium catalyst: the chiral poisoning approach","Chemical Communications","2022","","","","","10.1039/D2CC01648F","","","0.71073","MoKα","","0.0273","0.025","","","0.0615","0.0631","","","","","","1.039","","","","has coordinates","275372","2022-05-12","21:54:55",""
"7130074","9.134","0.0018","6.215","0.0012","14.976","0.003","90","","106.66","0.03","90","","814.5","0.3","120","","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C36 H46 N2 O6 -","2","1","","Trifonova, Evgeniya A.; Ankudinov, Nikita M.; Chusov, Denis; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Asymmetric cyclopropanation of electron-rich alkenes by the racemic diene rhodium catalyst: the chiral poisoning approach","Chemical Communications","2022","","","","","10.1039/D2CC01648F","","","0.745","synchrotron","","0.0607","0.059","","","0.1515","0.153","","","","","","1.035","","","","has coordinates,has disorder","275372","2022-05-12","21:55:07",""
"7130075","14.93847","0.00011","29.718","0.0003","27.4444","0.0002","90","","90","","90","","12183.7","0.18","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C110 H128 N16 O17 -","- C110 H128 N16 O17 -","- C440 H512 N64 O68 -","4","0.5","","Misra, Rajkumar; Vijayakanth, Thangavel; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Atomic insight into short helical peptide comprised of consecutive multiple aromatic residues","Chemical Communications","2022","","","","","10.1039/D2CC01038K","","","1.54184","CuKα","","0.0875","0.0848","","","0.2528","0.2574","","","","","","1.107","","","","has coordinates","275373","2022-05-12","21:56:03",""
"7130076","11.9093","0.0002","11.9093","0.0002","68.9715","0.001","90","","90","","120","","8471.7","0.2","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C60 H66 N8 O8 -","- C60 H66 N8 O8 -","- C360 H396 N48 O48 -","6","1","","Misra, Rajkumar; Vijayakanth, Thangavel; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Atomic insight into short helical peptide comprised of consecutive multiple aromatic residues","Chemical Communications","2022","","","","","10.1039/D2CC01038K","","","1.54184","CuKα","","0.0772","0.0626","","","0.1627","0.1751","","","","","","1.068","","","","has coordinates","275373","2022-05-12","21:56:04",""
"7130077","10.6002","0.0003","9.9556","0.0003","17.0845","0.0005","90","","94.022","0.002","90","","1798.51","0.09","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Bi N O2 -","- C21 H18 Bi N O2 -","- C84 H72 Bi4 N4 O8 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee","Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes","Chemical Communications","2022","","","","","10.1039/D2CC00751G","","x-ray","0.71073","MoKα","","0.0264","0.0228","","","0.0468","0.048","","","","","","1.062","","","","has coordinates","275374","2022-05-12","21:57:19",""
"7130078","15.343","0.0004","9.6973","0.0002","15.3553","0.0004","90","","102.472","0.002","90","","2230.73","0.1","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Bi N O3 -","- C25 H26 Bi N O3 -","- C100 H104 Bi4 N4 O12 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee","Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes","Chemical Communications","2022","","","","","10.1039/D2CC00751G","","x-ray","0.71073","MoKα","","0.0269","0.023","","","0.0483","0.0496","","","","","","1.049","","","","has coordinates","275374","2022-05-12","21:57:20",""
"7130079","10.0487","0.0003","13.9834","0.0004","12.3014","0.0004","90","","101.586","0.003","90","","1693.31","0.09","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Bi F2 N -","- C21 H18 Bi F2 N -","- C84 H72 Bi4 F8 N4 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee","Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes","Chemical Communications","2022","","","","","10.1039/D2CC00751G","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.046","0.0469","","","","","","1.057","","","","has coordinates","275374","2022-05-12","21:57:20",""
"7130080","8.3127","0.0002","9.8342","0.0002","11.527","0.0002","81.331","0.002","87.085","0.002","86.766","0.002","929.21","0.03","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Bi Cl2 N -","- C21 H18 Bi Cl2 N -","- C42 H36 Bi2 Cl4 N2 -","2","1","","Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee","Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes","Chemical Communications","2022","","","","","10.1039/D2CC00751G","","x-ray","0.71073","MoKα","","0.0222","0.0213","","","0.0524","0.0528","","","","","","1.041","","","","has coordinates","275374","2022-05-12","21:57:20",""
"7130081","15.3838","0.0004","8.4575","0.0002","17.0618","0.0004","90","","91.724","0.002","90","","2218.88","0.09","153","","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Bi Cl2 N -","- C24 H26 Bi Cl2 N -","- C96 H104 Bi4 Cl8 N4 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee","Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes","Chemical Communications","2022","","","","","10.1039/D2CC00751G","","x-ray","0.71073","MoKα","","0.0248","0.0221","","","0.0445","0.0454","","","","","","1.053","","","","has coordinates","275374","2022-05-12","21:57:20",""
"7130082","6.7646","0.0001","16.0325","0.0003","19.2455","0.0003","90","","90","","90","","2087.24","0.06","193","2","193.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O4 -","- C24 H19 Br O4 -","- C96 H76 Br4 O16 -","4","1","","Wang, Yifeng; Wang, Chao-Jie; Feng, Qing-Zhou; Zhai, Jing-Jing; Qi, Suosuo; Zhong, Ai-Guo; Chu, Mingming; Xu, Dan-Qian","Copper-catalyzed asymmetric 1,6-conjugate addition of in situ generated para-quinone methides with β-ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00146B","","","1.34139","GaKα","","0.0255","0.0249","","","0.0632","0.0638","","","","","","1.072","","","","has coordinates","275375","2022-05-12","21:58:17",""
"7130083","9.142","0.0011","11.428","0.0015","22.267","0.0019","90","","90","","90","","2326.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl O5 -","- C25 H22 Cl O5 -","- C100 H88 Cl4 O20 -","4","1","","Wang, Yifeng; Wang, Chao-Jie; Feng, Qing-Zhou; Zhai, Jing-Jing; Qi, Suosuo; Zhong, Ai-Guo; Chu, Mingming; Xu, Dan-Qian","Copper-catalyzed asymmetric 1,6-conjugate addition of in situ generated para-quinone methides with β-ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00146B","","x-ray","1.54178","CuKα","","0.0985","0.069","","","0.1784","0.2075","","","","","","0.981","","","","has coordinates","275375","2022-05-12","21:58:18",""
"7130084","8.134","0.003","8.219","0.003","19.46","0.008","90","","101.5","0.009","90","","1274.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","He, Hangli; Yan, Jingyu; Jin, Jingru; Yan, Zhewei; Yan, Qiongjiao; Wang, Wei; Jiang, Haipeng; Wang, Haifeng; Chen, Fener","TfOH-catalyzed regioselective N2-alkylation of indazoles with diazo compounds","Chemical Communications","2022","","","","","10.1039/D2CC01404A","","","0.71073","MoKα","","0.1031","0.0459","","","0.0852","0.1084","","","","","","1.042","","","","has coordinates","275376","2022-05-12","21:58:46",""
"7130085","15.8867","0.0007","14.0109","0.0007","14.5536","0.0007","90","","90","","90","","3239.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C70 H98 Sb2 -","- C70 H98 Sb2 -","- C140 H196 Sb4 -","2","0.5","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","0.71073","MoKα","","0.0178","0.0162","","","0.041","0.0422","","","","","","1.087","","","","has coordinates","275377","2022-05-12","22:00:11",""
"7130086","34.169","0.003","10.4618","0.0008","18.2971","0.0014","90","","110.043","0.0019","90","","6144.5","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C70 H98 Bi2 -","- C70 H98 Bi2 -","- C280 H392 Bi8 -","4","0.5","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","1.54178","CuKα","","0.05","0.0491","","","0.1333","0.1341","","","","","","1.102","","","","has coordinates,has disorder","275377","2022-05-12","22:00:11",""
"7130087","15.8584","0.0015","17.179","0.0015","26.761","0.002","90","","90","","90","","7290.5","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 Sb2 -","- C40 H52 Sb2 -","- C320 H416 Sb16 -","8","1","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","1.54178","CuKα","","0.0621","0.061","","","0.1605","0.1613","","","","","","1.135","","","","has coordinates,has disorder","275377","2022-05-12","22:00:11",""
"7130088","14.118","0.003","15.623","0.003","17.104","0.003","82.723","0.008","80.545","0.008","78.391","0.008","3628","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H75 B F20 Sb2 -","- C79 H75 B F20 Sb2 -","- C158 H150 B2 F40 Sb4 -","2","1","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","0.71073","MoKα","","0.0419","0.0324","","","0.0692","0.0769","","","","","","1.125","","","","has coordinates,has disorder","275377","2022-05-12","22:00:12",""
"7130089","12.9448","0.0004","16.4183","0.0005","13.3984","0.0004","90","","118.182","0.001","90","","2510.01","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 O3 P -","- C31 H33 O3 P -","- C124 H132 O12 P4 -","4","1","","Yadavalli, Krishna P.; Cummines, Johannah E.; Carlisle, Chace J.; Lepore, Salvatore D.","Diastereoselective additions of H-phosphinates to alkenyl ketones under phase-transfer conditions","Chemical Communications","2022","","","","","10.1039/D2CC02090D","","","0.71073","MoKα","","0.0497","0.0367","","","0.086","0.0935","","","","","","1.035","","","","has coordinates","275378","2022-05-12","22:01:00",""
"7130090","10.9911","0.0015","14.4696","0.0018","17.114","0.002","95.559","0.004","101.93","0.004","111.307","0.004","2436.4","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H18 Al Cl2 F36 N O8 -","- C39 H18 Al Cl2 F36 N O8 -","- C78 H36 Al2 Cl4 F72 N2 O16 -","2","1","","Li, Ke; Feng, Zhongtao; Ruan, Huapeng; Sun, Quanchun; Zhao, Yue; Wang, Xinping","The catenation of a singlet diradical dication and modulation of diradical character by metal coordination","Chemical Communications","2022","","","","","10.1039/D2CC01539K","","","0.71073","MoKα","","0.0765","0.06","","","0.1539","0.1654","","","","","","1.154","","","","has coordinates","275415","2022-05-13","21:53:17",""
"7130091","12.0834","0.0014","14.7801","0.0015","16.8572","0.0018","90.257","0.003","110.805","0.003","99.213","0.003","2771.8","0.5","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H38 Ag Cl4 F18 N2 O9 Sb3 -","- C46 H38 Ag Cl4 F18 N2 O9 Sb3 -","- C92 H76 Ag2 Cl8 F36 N4 O18 Sb6 -","2","1","","Li, Ke; Feng, Zhongtao; Ruan, Huapeng; Sun, Quanchun; Zhao, Yue; Wang, Xinping","The catenation of a singlet diradical dication and modulation of diradical character by metal coordination","Chemical Communications","2022","","","","","10.1039/D2CC01539K","","","0.71073","MoKα","","0.1197","0.0779","","","0.2002","0.2236","","","","","","1.082","","","","has coordinates,has disorder","275415","2022-05-13","21:53:17",""
"7130092","32.3895","0.0002","27.404","0.0002","28.0141","0.0002","90","","90","","90","","24865.4","0.3","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C48 H24 N16 O20 Zn8 -","- C48 H24 N16 O20 Zn8 -","- C384 H192 N128 O160 Zn64 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","","1.54184","CuKα","","0.1145","0.1133","","","0.307","0.3107","","","","","","1.568","","","","has coordinates","275416","2022-05-13","21:54:17",""
"7130093","19.4997","0.0001","19.6456","0.0001","32.3093","0.0002","90","","90","","90","","12377.2","0.12","99.99","0.17","99.99","0.17","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H18 N10 O12 Zn4 -","- C24 H18 N10 O12 Zn4 -","- C192 H144 N80 O96 Zn32 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","x-ray","1.54184","CuKα","","0.0578","0.0514","","","0.1478","0.1529","","","","","","1.058","","","","has coordinates,has disorder","275416","2022-05-13","21:54:17",""
"7130094","19.6175","0.0006","19.741","0.002","32.326","0.0019","90","","90","","90","","12518.9","1.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25 H18 N10 O12 Zn4 -","- C25 H18 N10 O12 Zn4 -","- C200 H144 N80 O96 Zn32 -","8","1","","Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan","Formaldehyde recognition through aminal formation in a luminescent metal–organic framework","Chemical Communications","2022","","","","","10.1039/D2CC02041F","","","1.54184","CuKα","","0.0703","0.0627","","","0.187","0.1942","","","","","","1.03","","","","has coordinates,has disorder","275416","2022-05-13","21:54:17",""
"7130095","12.3458","0.0002","12.981","0.0002","16.126","0.0003","109.234","0.002","102.943","0.002","103.838","0.002","2236.35","0.09","169.99","0.16","169.99","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C90 H85 N7 Ni O2 -","- C90 H85 N7 Ni O2 -","- C90 H85 N7 Ni O2 -","1","0.5","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0699","0.0666","","","0.1933","0.1966","","","","","","1.096","","","","has coordinates,has disorder","275455","2022-05-16","21:55:19",""
"7130096","11.8776","0.0007","12.4674","0.0005","13.046","0.0007","104.32","0.004","108.42","0.005","98.286","0.004","1723.27","0.17","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C96 H76 N6 Ni -","- C96 H76 N6 Ni -","- C96 H76 N6 Ni -","1","0.5","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0996","0.0705","","","0.179","0.1966","","","","","","1.073","","","","has coordinates","275455","2022-05-16","21:55:20",""
"7130097","10.9639","0.0003","27.0997","0.0006","16.6678","0.0005","90","","105.144","0.003","90","","4780.3","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H51 N5 Ni -","- C60 H51 N5 Ni -","- C240 H204 N20 Ni4 -","4","1","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0963","0.0834","","","0.193","0.2029","","","","","","1.067","","","","has coordinates","275455","2022-05-16","21:55:20",""
"7130098","10.9575","0.0002","13.4987","0.0003","18.8848","0.0004","73.327","0.002","74.156","0.002","82.126","0.002","2568.97","0.1","169.98","0.11","169.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C60 H47 N5 Ni -","- C60 H47 N5 Ni -","- C120 H94 N10 Ni2 -","2","1","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0444","0.0413","","","0.1122","0.1141","","","","","","1.05","","","","has coordinates","275455","2022-05-16","21:55:21",""
"7130099","14.0097","0.0006","28.3409","0.0011","19.4461","0.0006","90","","91.81","0.003","90","","7717.2","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C84 H72 N6 Ni -","- C84 H72 N6 Ni -","- C336 H288 N24 Ni4 -","4","2","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.149","0.1017","","","0.262","0.3042","","","","","","1.024","","","","has coordinates","275455","2022-05-16","21:55:21",""
"7130100","13.204","0.0001","14.0442","0.0001","21.9436","0.0002","82.844","0.001","73.132","0.001","85.129","0.001","3858.71","0.06","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C84 H72 N6 Ni -","- C84 H72 N6 Ni -","- C168 H144 N12 Ni2 -","2","1","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0503","0.0488","","","0.1379","0.139","","","","","","1.091","","","","has coordinates,has disorder","275455","2022-05-16","21:55:21",""
"7130101","14.1056","0.0003","16.2881","0.0004","16.8703","0.0003","68.754","0.002","68.962","0.002","83.788","0.002","3370.7","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H68 N6 Ni -","- C84 H68 N6 Ni -","- C168 H136 N12 Ni2 -","2","1","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.0878","0.0662","","","0.1825","0.1966","","","","","","1.031","","","","has coordinates,has disorder","275455","2022-05-16","21:55:21",""
"7130102","13.94","0.0003","22.0062","0.0003","28.7167","0.0004","75.192","0.001","78.676","0.001","86.73","0.001","8350.7","0.2","170","0.16","170","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C186 H184 N14 Ni2 O4 -","- C186 H184 N14 Ni2 O4 -","- C372 H368 N28 Ni4 O8 -","2","1","","Li, Sha; Sun, Yahan; Li, Xiaofang; Smaga, Oskar; Koniarz, Sebastian; Stępień, Marcin; Chmielewski, Piotr J.","1,3-Dipolar cycloaddition of polycyclic azomethine ylide to norcorroles: towards dibenzoullazine-fused derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02071H","","x-ray","1.54184","CuKα","","0.1054","0.0773","","","0.2076","0.2231","","","","","","1.407","","","","has coordinates","275455","2022-05-16","21:55:21",""
"7130103","5.8303","0.0002","33.0703","0.0013","14.6045","0.0005","90","","90","","90","","2815.89","0.18","150","","150","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C18 H16 Se -","- C18 H16 Se -","- C144 H128 Se8 -","8","0.5","","Zhong, Wentao; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Wu, Wanqing","Synthesis of 2,5-disubstituted selenophenes via a copper-catalyzed regioselective [2+2+1] cyclization of terminal alkynes and selenium","Chemical Communications","2022","","","","","10.1039/D2CC00958G","","","0.71073","MoKα","","0.0738","0.0396","","","0.0625","0.0758","","","","","","1.092","","","","has coordinates,has disorder","275456","2022-05-16","21:56:22",""
"7130104","5.82822","0.00004","13.8137","0.00009","18.94391","0.00013","90","","90","","90","","1525.16","0.018","150.99","0.13","150.99","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Prieto, Liher; Rodríguez, Verónica; Vicario, Jose L.; Reyes, Efraim; Hornillos, Valentín","Enantioselective transannular reactions by palladium-catalysed conjugate addition of aryl boronic acids","Chemical Communications","2022","","","","","10.1039/D2CC01642G","","x-ray","1.54184","CuKα","","0.038","0.0358","","","0.0934","0.0957","","","","","","1.059","","","","has coordinates","275457","2022-05-16","21:57:05",""
"7130105","7.0597","0.0002","9.4699","0.0002","11.8919","0.0003","90","","100.096","0.003","90","","782.72","0.03","150.3","0.3","150.3","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C40 H44 O4 -","2","1","","Prieto, Liher; Rodríguez, Verónica; Vicario, Jose L.; Reyes, Efraim; Hornillos, Valentín","Enantioselective transannular reactions by palladium-catalysed conjugate addition of aryl boronic acids","Chemical Communications","2022","","","","","10.1039/D2CC01642G","","x-ray","1.54184","CuKα","","0.0506","0.0452","","","0.1074","0.1121","","","","","","1.064","","","","has coordinates,has disorder","275457","2022-05-16","21:57:06",""
"7130106","11.115","0.0001","12.5618","0.0002","16.5098","0.0002","94.211","0.001","108.419","0.001","111.7","0.001","1984.2","0.05","123","","123","","","","","","","","","3","P -1","-P 1","2","","C136H46N2","","- C136 H46 N2 -","- C136 H46 N2 -","- C136 H46 N2 -","1","0.5","","Larsen, Eric S.; Ahumada, Guillermo; Sultane, Prakash R.; Bielawski, Christopher W.","Stereoelectronically-induced allosteric binding: shape complementarity promotes positive cooperativity in fullerene/buckybowl complexes","Chemical Communications","2022","","","","","10.1039/D2CC01908F","","x-ray","1.54184","CuKα","","0.0793","0.0781","","","0.2353","0.2371","","","","","","1.096","","","","has coordinates","275458","2022-05-16","21:57:36",""
"7130107","11.15","0.04","9.86","0.03","15.05","0.05","90","","107.82","0.03","90","","1575","9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","","Wang, Shuxia; Sun, Lei; Gao, Minghui; Jiang, Qin; Hu, Weiming; Liu, Yaya; Tao, Chuanzhou","Copper-catalyzed C2 alkenylation of pyridine-N-oxides with alkynes","Chemical Communications","2022","","","","","10.1039/D2CC00851C","","","0.71073","MoKα","","0.1875","0.0982","","","0.2427","0.3096","","","","","","1.069","","","","has coordinates","275490","2022-05-17","21:52:56",""
"7130108","12.9185","0.0002","14.1732","0.0002","14.4149","0.0002","85.124","0.001","79.583","0.001","67.967","0.001","2405.81","0.06","173","2","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N O5 -","- C16 H14 F3 N O5 -","- C96 H84 F18 N6 O30 -","6","3","","Yan, Huan; Xu, Gaochen; Gu, Meng; Zhang, Sai; Wu, Qinghuan; Meng, Jingjing; Zhu, Ning; Fang, Zheng; Duan, Jindian; Guo, Kai","Copper-catalyzed [4 + 2] oxidative annulation of α,β-unsaturated ketoxime acetates with ethyl trifluoropyruvate","Chemical Communications","2022","","","","","10.1039/D2CC01573K","","","1.34139","GaKα","","0.0367","0.0345","","","0.0914","0.0935","","","","","","1.026","","","","has coordinates","275521","2022-05-18","21:54:11",""
"7130109","7.8016","0.0002","17.7157","0.0004","20.7203","0.0004","90","","90","","90","","2863.77","0.11","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N2 -","- C32 H46 N2 -","- C128 H184 N8 -","4","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.0597","0.0544","","","0.1606","0.1683","","","","","","1.065","","","","has coordinates,has disorder","275522","2022-05-18","21:56:31",""
"7130110","11.0116","0.0003","14.7548","0.0004","15.4039","0.0004","101.896","0.002","110.763","0.001","111.637","0.001","2005.29","0.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 B2 F8 N2 -","- C40 H60 B2 F8 N2 -","- C80 H120 B4 F16 N4 -","2","1","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.0881","0.0839","","","0.207","0.2092","","","","","","1.086","","","","has coordinates,has disorder","275522","2022-05-18","21:56:44",""
"7130111","10.0958","0.0007","10.4702","0.0008","13.262","0.001","70.524","0.001","86.619","0.001","83.274","0.001","1312.25","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 Cl2 N2 Rh2 -","- C56 H82 Cl2 N2 Rh2 -","- C56 H82 Cl2 N2 Rh2 -","1","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.0527","0.0391","","","0.0867","0.0929","","","","","","1.03","","","","has coordinates","275522","2022-05-18","21:56:47",""
"7130112","9.2714","0.0014","12.6303","0.0019","15.352","0.002","90","","99.001","0.002","90","","1775.6","0.4","173.15","","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 N2 -","- C40 H58 N2 -","- C80 H116 N4 -","2","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.0654","0.0451","","","0.1053","0.1185","","","","","","1.018","","","","has coordinates","275522","2022-05-18","21:56:47",""
"7130113","10.1013","0.0011","14.1448","0.0016","14.8032","0.0017","96.896","0.001","101.852","0.001","100.562","0.001","2007.4","0.4","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H131 N9 -","- C90 H131 N9 -","- C90 H131 N9 -","1","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.0809","0.0493","","","0.1094","0.1237","","","","","","1.028","","","","has coordinates,has disorder","275522","2022-05-18","21:56:47",""
"7130114","21.3426","0.0007","13.8099","0.0005","11.646","0.0003","90","","90","","90","","3432.53","0.19","173.15","","173.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H58 N2 -","- C40 H58 N2 -","- C160 H232 N8 -","4","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.1194","0.0867","","","0.2422","0.2676","","","","","","1.047","","","","has coordinates,has disorder","275522","2022-05-18","21:56:47",""
"7130115","19.478","0.002","12.9125","0.0016","18.832","0.002","90","","117.109","0.001","90","","4216.1","0.8","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H106 Cl2 Ir2 N2 O2 P2 -","- C96 H106 Cl2 Ir2 N2 O2 P2 -","- C192 H212 Cl4 Ir4 N4 O4 P4 -","2","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.038","0.0244","","","0.0487","0.0538","","","","","","1.022","","","","has coordinates","275522","2022-05-18","21:56:48",""
"7130116","9.5425","0.0008","10.9809","0.0009","22.1072","0.0019","102.688","0.001","91.331","0.001","94.583","0.001","2250.7","0.3","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 B2 Cl2 F8 N2 -","- C41 H62 B2 Cl2 F8 N2 -","- C82 H124 B4 Cl4 F16 N4 -","2","1","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.0935","0.0546","","","0.1283","0.1497","","","","","","1.032","","","","has coordinates,has disorder","275522","2022-05-18","21:56:48",""
"7130117","9.9563","0.001","16.8762","0.0017","22.908","0.002","108.768","0.001","96.635","0.001","99.305","0.001","3538.2","0.6","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H61 N3 -","- C40 H61 N3 -","- C160 H244 N12 -","4","2","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.1318","0.0755","","","0.173","0.2041","","","","","","1.024","","","","has coordinates,has disorder","275522","2022-05-18","21:56:48",""
"7130118","11.5644","0.0014","18.697","0.002","16.3994","0.0019","90","","95.825","0.002","90","","3527.6","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 N2 O -","- C40 H60 N2 O -","- C160 H240 N8 O4 -","4","1","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","0.71073","MoKα","","0.0923","0.049","","","0.1041","0.1233","","","","","","1.022","","","","has coordinates","275522","2022-05-18","21:56:48",""
"7130119","10.1982","0.0002","22.5087","0.0005","17.5373","0.0004","90","","100.021","0.001","90","","3964.24","0.15","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 B F4 N2 -","- C40 H58 B F4 N2 -","- C160 H232 B4 F16 N8 -","4","1","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.0743","0.0661","","","0.1803","0.1887","","","","","","1.029","","","","has coordinates","275522","2022-05-18","21:56:48",""
"7130120","5.2349","0.0008","8.1302","0.0013","18.418","0.003","90","","91.16","0.003","90","","783.7","0.2","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C36 H28 F4 N8 O4 -","4","1","","Kocsi, Daniel; Orthaber, Andreas; Borbas, Eszter","Tuning the photophysical properties of luminescent lanthanide complexes through regioselective antenna fluorination","Chemical Communications","2022","","","","","10.1039/D2CC01229D","","","0.71073","MoKα","","0.0606","0.0444","","","0.127","0.1385","","","","","","1.066","","","","has coordinates","275523","2022-05-18","21:57:57",""
"7130121","7.6379","0.0014","6.7755","0.0012","15.015","0.003","90","","104.312","0.004","90","","752.9","0.2","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C36 H28 F4 N8 O4 -","4","1","","Kocsi, Daniel; Orthaber, Andreas; Borbas, Eszter","Tuning the photophysical properties of luminescent lanthanide complexes through regioselective antenna fluorination","Chemical Communications","2022","","","","","10.1039/D2CC01229D","","x-ray","0.71073","MoKα","","0.0719","0.0484","","","0.1239","0.1399","","","","","","1.067","","","","has coordinates","275523","2022-05-18","21:57:58",""
"7130122","7.481","0.002","6.777","0.002","15.561","0.005","90","","100.97","0.006","90","","774.5","0.4","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C36 H28 F4 N8 O4 -","4","1","","Kocsi, Daniel; Orthaber, Andreas; Borbas, Eszter","Tuning the photophysical properties of luminescent lanthanide complexes through regioselective antenna fluorination","Chemical Communications","2022","","","","","10.1039/D2CC01229D","","","0.71073","MoKα","","0.0936","0.0516","","","0.1104","0.1304","","","","","","1.062","","","","has coordinates","275523","2022-05-18","21:57:58",""
"7130123","13.7168","0.0018","13.9845","0.0019","16.666","0.002","69.78","0.002","81.689","0.002","65.438","0.002","2728.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H34 Bi2 F20 N2 S4 -","- C53 H34 Bi2 F20 N2 S4 -","- C106 H68 Bi4 F40 N4 S8 -","2","1","","Romano, Giammarco Maria; Mummolo, Liviana; Savastano, Matteo; Paoli, Paola; Rossi, Patrizia; Prodi, Luca; Bencini, Andrea","Polyamine receptors containing anthracene as fluorescent probes for ketoprofen in H2O/EtOH solution.","Chemical Communications","2022","","","","","10.1039/D2CC01107G","","","0.71073","MoKα","","0.0848","0.0456","","","0.0891","0.1003","","","","","","0.962","","","","has coordinates","275524","2022-05-18","21:58:20",""
"7130124","11.053","0.005","16.413","0.007","18.289","0.009","90","","90.9","0.014","90","","3317","3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 B F15 N -","- C36 H28 B F15 N -","- C144 H112 B4 F60 N4 -","4","1","","Wang, Jingjing; Zhou, Haiyu; Wei, Junhui; Liu, Fei; Wang, Tongdao","Metal-free trans-hydroboration without a B-H bond: reactions of propargyl amines with Lewis acidic boranes","Chemical Communications","2022","","","","","10.1039/D2CC02687B","","","0.71073","MoKα","","0.1728","0.0642","","","0.135","0.1753","","","","","","0.966","","","","has coordinates","275525","2022-05-18","21:58:43",""
"7130125","12.943","0.003","12.95","0.003","23.406","0.005","90","","90.16","0.03","90","","3923.1","1.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Ga N3 O P Si -","- C38 H65 Ga N3 O P Si -","- C152 H260 Ga4 N12 O4 P4 Si4 -","4","1","","Kassymbek, Aishabibi; Spasyuk, Denis M.; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","Facile C–H Bond Activation on a Transient Gallium Imide","Chemical Communications","2022","","","","","10.1039/D2CC01857H","","","0.65254","synchrotron","","0.0524","0.0489","","","0.1363","0.1401","","","","","","1.103","","","","has coordinates,has disorder","275556","2022-05-19","21:53:41",""
"7130126","11.94","0.002","17.146","0.003","20.083","0.004","90","","97.15","0.03","90","","4079.5","1.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H127 Ga2 N6 O2 Si2 -","- C83 H127 Ga2 N6 O2 Si2 -","- C166 H254 Ga4 N12 O4 Si4 -","2","0.5","","Kassymbek, Aishabibi; Spasyuk, Denis M.; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","Facile C–H Bond Activation on a Transient Gallium Imide","Chemical Communications","2022","","","","","10.1039/D2CC01857H","","","0.65254","synchrotron","","0.0379","0.0341","","","0.0903","0.0929","","","","","","1.076","","","","has coordinates,has disorder","275556","2022-05-19","21:53:42",""
"7130127","9.468","0.0019","10.277","0.002","20.409","0.004","89.67","0.03","87.02","0.03","64.19","0.03","1785","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Ga N3 O2 Si -","- C36 H58 Ga N3 O2 Si -","- C72 H116 Ga2 N6 O4 Si2 -","2","1","","Kassymbek, Aishabibi; Spasyuk, Denis M.; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","Facile C–H Bond Activation on a Transient Gallium Imide","Chemical Communications","2022","","","","","10.1039/D2CC01857H","","","0.65254","synchrotron","","0.0338","0.0331","","","0.0882","0.0887","","","","","","1.07","","","","has coordinates","275556","2022-05-19","21:53:43",""
"7130128","9.8888","0.0006","20.6827","0.0013","21.1123","0.0012","109.708","0.003","93.827","0.003","97.512","0.003","4001.7","0.4","152.11","","152.11","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H55 Ga N4 Si -","- C37 H55 Ga N4 Si -","- C148 H220 Ga4 N16 Si4 -","4","2","","Kassymbek, Aishabibi; Spasyuk, Denis M.; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","Facile C–H Bond Activation on a Transient Gallium Imide","Chemical Communications","2022","","","","","10.1039/D2CC01857H","","","0.71073","MoKα","","0.0515","0.0407","","","0.0826","0.0867","","","","","","1.048","","","","has coordinates","275556","2022-05-19","21:53:43",""
"7130129","13.388","0.001","14.084","0.001","22.734","0.002","72.78","0.01","74.71","0.01","65.42","0.01","3674.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C89 H26.41 Cl25.58 O2.42 -","- C89 H22 Cl25.61 O2.39 -","- C178 H44 Cl51.22 O4.78 -","2","1","","Brotsman, Victor A.; Ioffe, Ilya N.; Troyanov, Sergey I.","Crippling the C70 Fullerene: Non-Classical C68Cl26(OH)2 and C68Cl25(OH)3 with Three Heptagons and Only Fused Pentagons via Chlorination-Promoted Skeletal Transformations","Chemical Communications","2022","","","","","10.1039/D2CC01719A","","","0.8266","synchrotron","","0.4805","0.1391","","","0.1917","0.2568","","","","","","0.801","","","","has coordinates,has disorder","275581","2022-05-20","22:03:03",""
"7130130","7.6866","0.0015","11.591","0.003","12.678","0.003","104.739","0.007","105.642","0.006","90.148","0.007","1048.8","0.4","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 Mn O6 Pb -","- C12 H24 Cl4 Mn O6 Pb -","- C24 H48 Cl8 Mn2 O12 Pb2 -","2","1","","Zhang, Liming; Luo, Zhishan; Wei, Yi; Wang, Wei; Liu, Yulian; Li, Chen; He, Xin; Quan, Zewei","Zero-Dimensional Hybrid Binuclear Manganese Chloride with Thermally Stable Yellow Emission","Chemical Communications","2022","","","","","10.1039/D2CC01522F","","","0.71073","MoKα","","0.0441","0.0355","","","0.0848","0.0885","","","","","","1.064","","","","has coordinates","275582","2022-05-20","22:03:47",""
"7130131","7.883","0.003","11.619","0.005","13.058","0.005","103.837","0.014","107.563","0.013","90.337","0.014","1103.2","0.8","400","","400","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 Mn O6 Pb -","- C12 H24 Cl4 Mn O6 Pb -","- C24 H48 Cl8 Mn2 O12 Pb2 -","2","1","","Zhang, Liming; Luo, Zhishan; Wei, Yi; Wang, Wei; Liu, Yulian; Li, Chen; He, Xin; Quan, Zewei","Zero-Dimensional Hybrid Binuclear Manganese Chloride with Thermally Stable Yellow Emission","Chemical Communications","2022","","","","","10.1039/D2CC01522F","","","0.71073","MoKα","","0.0895","0.0763","","","0.2007","0.2169","","","","","","1.078","","","","has coordinates","275582","2022-05-20","22:03:48",""
"7130132","7.7138","0.0005","11.605","0.0008","12.7334","0.0008","104.638","0.002","105.858","0.002","90.193","0.002","1057.69","0.12","199.99","","199.99","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 Mn O6 Pb -","- C12 H24 Cl4 Mn O6 Pb -","- C24 H48 Cl8 Mn2 O12 Pb2 -","2","1","","Zhang, Liming; Luo, Zhishan; Wei, Yi; Wang, Wei; Liu, Yulian; Li, Chen; He, Xin; Quan, Zewei","Zero-Dimensional Hybrid Binuclear Manganese Chloride with Thermally Stable Yellow Emission","Chemical Communications","2022","","","","","10.1039/D2CC01522F","","","0.71073","MoKα","","0.0371","0.0327","","","0.0753","0.0771","","","","","","1.075","","","","has coordinates","275582","2022-05-20","22:03:48",""
"7130133","7.7768","0.0005","11.6166","0.0007","12.8625","0.0007","104.333","0.002","106.573","0.002","90.283","0.002","1075.48","0.11","299.99","","299.99","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 Mn O6 Pb -","- C12 H24 Cl4 Mn O6 Pb -","- C24 H48 Cl8 Mn2 O12 Pb2 -","2","1","","Zhang, Liming; Luo, Zhishan; Wei, Yi; Wang, Wei; Liu, Yulian; Li, Chen; He, Xin; Quan, Zewei","Zero-Dimensional Hybrid Binuclear Manganese Chloride with Thermally Stable Yellow Emission","Chemical Communications","2022","","","","","10.1039/D2CC01522F","","","0.71073","MoKα","","0.0421","0.0372","","","0.0964","0.1048","","","","","","1.115","","","","has coordinates","275582","2022-05-20","22:03:48",""
"7130134","10.4935","0.0006","11.089","0.0005","12.2484","0.0006","103.579","0.002","101.602","0.002","97.418","0.002","1333.64","0.12","281","2","281","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N3 O4 S -","- C29 H29 N3 O4 S -","- C58 H58 N6 O8 S2 -","2","1","","Li, Kuan; Yang, Sen; Zheng, Bing; Wang, Wei; Wu, Yongjun; Li, Jing; Guo, Hongchao","A new type of δ-vinylvalerolactone for palladium-catalyzed cycloaddition: synthesis of nine-membered heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC01134D","","","0.71073","MoKα","","0.0692","0.0457","","","0.1077","0.1208","","","","","","1.02","","","","has coordinates","275583","2022-05-20","22:04:24",""
"7130135","9.6278","0.0017","12.64","0.002","13.195","0.002","105.423","0.003","92.048","0.003","103.57","0.004","1496.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N3 O4 S -","- C35 H33 N3 O4 S -","- C70 H66 N6 O8 S2 -","2","1","","Li, Kuan; Yang, Sen; Zheng, Bing; Wang, Wei; Wu, Yongjun; Li, Jing; Guo, Hongchao","A new type of δ-vinylvalerolactone for palladium-catalyzed cycloaddition: synthesis of nine-membered heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC01134D","","","0.71073","MoKα","","0.1479","0.0565","","","0.1098","0.1415","","","","","","0.927","","","","has coordinates","275583","2022-05-20","22:04:25",""
"7130136","8.5703","0.0008","9.7142","0.001","10.2374","0.001","83.637","0.001","83.004","0.001","81.104","0.001","832.09","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 K N8 -","- C14 H11 K N8 -","- C28 H22 K2 N16 -","2","1","","Mochida, Tomoyuki; Qiu, Yi; Funasako, Yusuke; Inokuchi, Makoto; Noguchi, Mariko; Fujimori, Hiroki; Furushima, Yoshitomo","Ionic liquid-containing coordination polymer: solvent-free synthesis, incongruent melting, and glass formation","Chemical Communications","2022","","","","","10.1039/D2CC01375D","","","0.71073","MoKα","","0.0342","0.0336","","","0.0878","0.0883","","","","","","1.076","","","","has coordinates","275613","2022-05-23","21:52:23",""
"7130137","8.6092","0.0012","9.8641","0.0014","10.4829","0.0015","83.222","0.002","82.672","0.002","81.215","0.002","868.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 K N8 -","- C14 H11 K N8 -","- C28 H22 K2 N16 -","2","1","","Mochida, Tomoyuki; Qiu, Yi; Funasako, Yusuke; Inokuchi, Makoto; Noguchi, Mariko; Fujimori, Hiroki; Furushima, Yoshitomo","Ionic liquid-containing coordination polymer: solvent-free synthesis, incongruent melting, and glass formation","Chemical Communications","2022","","","","","10.1039/D2CC01375D","","","0.71073","MoKα","","0.0557","0.0481","","","0.1279","0.1349","","","","","","1.035","","","","has coordinates,has disorder","275613","2022-05-23","21:52:23",""
"7130138","9.908","0.0018","20.656","0.004","14.699","0.002","90","","105.641","0.006","90","","2896.9","0.9","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 O5 S Se -","- C33 H34 O5 S Se -","- C132 H136 O20 S4 Se4 -","4","1","","Volla, Chandra; Nair, Akshay Murali; Halder, Indranil","A Metal-free Four-component Sulfonylation, Giese Cyclization, Selenylation Cascade via Insertion of Sulfur Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC02315F","","","0.71073","MoKα","","0.1204","0.056","","","0.1193","0.145","","","","","","1.014","","","","has coordinates","275614","2022-05-23","21:53:30",""
"7130139","10.4312","0.0004","9.1608","0.0003","27.6888","0.0011","90","","99.657","0.004","90","","2608.4","0.17","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O5 S Se -","- C30 H28 O5 S Se -","- C120 H112 O20 S4 Se4 -","4","1","","Volla, Chandra; Nair, Akshay Murali; Halder, Indranil","A Metal-free Four-component Sulfonylation, Giese Cyclization, Selenylation Cascade via Insertion of Sulfur Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC02315F","","x-ray","0.71073","MoKα","","0.0488","0.0355","","","0.0774","0.0835","","","","","","1.038","","","","has coordinates","275614","2022-05-23","21:53:31",""
"7130140","7.7248","0.0002","20.423","0.0008","21.7248","0.001","115.65","0.004","98.002","0.003","97.217","0.003","2992.5","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H54 Br2 O10 S2 Se2 -","- C68 H54 Br2 O10 S2 Se2 -","- C136 H108 Br4 O20 S4 Se4 -","2","1","","Volla, Chandra; Nair, Akshay Murali; Halder, Indranil","A Metal-free Four-component Sulfonylation, Giese Cyclization, Selenylation Cascade via Insertion of Sulfur Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC02315F","","x-ray","0.71073","MoKα","","0.0685","0.0422","","","0.0815","0.0921","","","","","","1.025","","","","has coordinates","275614","2022-05-23","21:53:31",""
"7130141","7.6284","0.0001","10.8394","0.0003","15.6538","0.0004","78.571","0.002","85.648","0.002","84.97","0.002","1261.55","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 O4 S Se -","- C29 H26 O4 S Se -","- C58 H52 O8 S2 Se2 -","2","1","","Volla, Chandra; Nair, Akshay Murali; Halder, Indranil","A Metal-free Four-component Sulfonylation, Giese Cyclization, Selenylation Cascade via Insertion of Sulfur Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC02315F","","x-ray","0.71073","MoKα","","0.0554","0.0454","","","0.1059","0.1116","","","","","","1.058","","","","has coordinates","275614","2022-05-23","21:53:31",""
"7130142","7.9876","0.0004","10.9369","0.0006","13.1476","0.0007","84.081","0.005","83.827","0.005","81.2","0.005","1124.07","0.1","297.4","0.3","297.4","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F3 N2 O3 -","- C26 H23 F3 N2 O3 -","- C52 H46 F6 N4 O6 -","2","1","","Liu, Zheng; Li, Qian; Yang, Chengyong; Zheng, Xuesong; Wu, Di; Gao, Ge; Lan, Jingbo","Ir(III)-catalyzed quadruple C−H activation of N-arylimidazolium and diaryliodonium salts: facile access to polysubstituted imidazo[1,2-f]phenanthridiniums","Chemical Communications","2022","","","","","10.1039/D2CC01646J","","x-ray","1.54184","CuKα","","0.0968","0.0811","","","0.2433","0.2704","","","","","","1.066","","","","has coordinates,has disorder","275627","2022-05-24","21:52:21",""
"7130143","7.4478","0.0005","9.0425","0.0006","12.7861","0.0008","74.939","0.002","86.769","0.002","84.018","0.002","826.61","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","YV479","","","- C18 H12 Cl2 N4 O2 -","- C18 H12 Cl2 N4 O2 -","- C36 H24 Cl4 N8 O4 -","2","1","","Kwon, Na Yeon; Mishra, Neeraj Kumar; Park, Jung Su; Woo, Sang Kook; Ghosh, Prithwish; Kim, In Su","KOtBu-promoted C3-homocoupling of quinoxalinones through single electron transfer from a sp2 carbanion intermediate","Chemical Communications","2022","","","","","10.1039/D2CC02636H","","","0.71073","MoKα","","0.1231","0.0495","","","0.1238","0.1801","","","","","","1.033","","","","has coordinates","275639","2022-05-25","21:52:43",""
"7130144","27.88","0.014","27.88","0.014","27.88","0.014","90","","90","","90","","21671","19","296","2","296","2","","","","","","","","7","F -4 3 m","F -4 2 3","216","","","","- C36 H20 Co10 Cu4 I4 N4 O31 -","- C35.9984 H39.9984 Co10 Cu4 I4 N4 O31 -","- C143.994 H159.994 Co40 Cu16 I16 N16 O124 -","4","0.0416667","","Peng, Shuang; Li, Yan; Ge, Rui; Chen, Wen-Xin; Wang, Tian-Yu; Li, Xin-Xiong; Zheng, Shou-Tian","Designed assembly of heterometallic zeolite-like framework materials from two different supertetrahedral metal clusters","Chemical Communications","2022","","","","","10.1039/D2CC01833K","","","0.71073","MoKα","","0.0601","0.0461","","","0.1478","0.1625","","","","","","0.654","","","","has coordinates,has disorder","275640","2022-05-25","21:53:42",""
"7130145","19.6109","0.0012","19.6109","0.0012","31.97","0.004","90","","90","","120","","10648","1.6","296","2","296","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C36 H40 Co10 Cu4 I4 N4 O31 -","- C35.9996 H39.9996 Co10 Cu4 I4 N4 O31 -","- C71.9992 H79.9992 Co20 Cu8 I8 N8 O62 -","2","0.166667","","Peng, Shuang; Li, Yan; Ge, Rui; Chen, Wen-Xin; Wang, Tian-Yu; Li, Xin-Xiong; Zheng, Shou-Tian","Designed assembly of heterometallic zeolite-like framework materials from two different supertetrahedral metal clusters","Chemical Communications","2022","","","","","10.1039/D2CC01833K","","","0.71073","MoKα","","0.0764","0.0543","","","0.1474","0.1645","","","","","","0.95","","","","has coordinates","275640","2022-05-25","21:53:43",""
"7130146","17.0936","0.0009","9.1661","0.0005","9.2363","0.0005","90","","90","","90","","1447.16","0.13","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Chen, Zhuowen; He, Qiuqin; Guo, Hao; Fan, Renhua","Anodic dearomatization of 2-alkynylanilines for the synthesis of multi-functionalized indoles","Chemical Communications","2022","","","","","10.1039/D2CC01766K","","","1.34138","GaKα","","0.0325","0.0308","","","0.0776","0.0794","","","","","","1.05","","","","has coordinates","275641","2022-05-25","21:54:17",""
"7130147","8.438","0.005","29.605","0.003","9.885","0.007","90","","96.74","0.05","90","","2452","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N4 O -","- C30 H22 Cl2 N4 O -","- C120 H88 Cl8 N16 O4 -","4","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.1346","0.1087","","","0.2766","0.2956","","","","","","1.077","","","","has coordinates,has disorder","275642","2022-05-25","21:56:31",""
"7130148","14.826","0.004","5.85","0.003","25.15","0.007","90","","94.39","0.0009","90","","2174.9","1.4","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O -","- C30 H21 N3 O -","- C120 H84 N12 O4 -","4","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.0337","0.0324","","","0.0818","0.0828","","","","","","1.027","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7130149","8.416","0.006","31.033","0.009","9.694","0.006","90","","98.93","0.03","90","","2501","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.9 H22.8 Cl1.8 N3 O -","- C30.9 H22.8 Cl1.8 N3 O -","- C123.6 H91.2 Cl7.2 N12 O4 -","4","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","","0.71073","MoKα","","0.1647","0.116","","","0.1931","0.2102","","","","","","1.19","","","","has coordinates,has disorder","275642","2022-05-25","21:56:32",""
"7130150","8.829","0.004","9.614","0.004","25.805","0.009","91.74","0.02","94.62","0.03","92.97","0.03","2179","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C116 H80 N16 O4 -","4","2","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","","0.71073","MoKα","","0.0824","0.0767","","","0.1373","0.1397","","","","","","1.248","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7130151","14.42","0.005","37.96","0.009","8.121","0.003","90","","90","","90","","4445","2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C31 H22 N2 O -","- C31 H22 N2 O -","- C248 H176 N16 O8 -","8","2","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.2719","0.1329","","","0.2932","0.3942","","","","","","0.982","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7130152","33.181","0.007","22.852","0.005","5.966","0.003","90","","90","","90","","4524","3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C31 H23 Br N2 -","- C31 H23 Br N2 -","- C248 H184 Br8 N16 -","8","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.0577","0.0466","","","0.1168","0.1232","","","","","","1.074","","","","has coordinates","275642","2022-05-25","21:56:32",""
"7130153","27.431","0.008","12.568","0.003","19.588","0.005","90","","90.23","0.03","90","","6753","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72.1 H76.8 B2 Br2 N8 O8.6 -","- C72.1 H76.8 B2 Br2 N8 O8.6 -","- C288.4 H307.2 B8 Br8 N32 O34.4 -","4","0.5","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","","0.71073","MoKα","","0.087","0.0747","","","0.206","0.2168","","","","","","1.042","","","","has coordinates,has disorder","275642","2022-05-25","21:56:33",""
"7130154","16.853","0.004","17.842","0.003","22.27","0.005","73.04","0.02","79.04","0.02","82.64","0.01","6269","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C141.09 H103.24 B4 Br4 Cl2 N16 O11.03 Zn -","- C141.083 H103.233 B4 Br4 Cl2 N16 O11.0333 Zn -","- C282.167 H206.466 B8 Br8 Cl4 N32 O22.0666 Zn2 -","2","1","","Farinone, Marco; Kijewska, Monika; Cybińska, Joanna; Siczek, Milosz; Pawlicki, Miłosz","B,N-doped PAHs from Tridentate ‘Defects’ - a Bottom-up Convergent Approach for π-Extended Systems","Chemical Communications","2022","","","","","10.1039/D2CC01801B","","x-ray","1.54184","CuKα","","0.1788","0.1345","","","0.3566","0.3852","","","","","","1.334","","","","has coordinates,has disorder","275642","2022-05-25","21:56:33",""
"7130155","9.3822","0.0003","10.1224","0.0004","13.1212","0.0004","68.499","0.003","79.973","0.003","73.741","0.003","1109.47","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","ethyl 3-(8-(diphenylphosphaneyl)naphthalen-1-yl)propanoate","","- C27 H25 O2 P -","- C2.57143 H2.38095 O0.190476 P0.0952381 -","- C54 H50 O4 P2 -","21","10.5","","Ma, Wen-Tao; Huang, Mao-Gui; Fuyue, Liuting; Wang, Zhong-Hui; Tao, Jun-Yang; Li, Jia-Wei; Liu, Yue-Jin; Zeng, Ming-Hua","Ru(II)-catalyzed P(III)-assisted C8-alkylation of naphthphosphines","Chemical Communications","2022","","","","","10.1039/D2CC02161G","","x-ray","1.54184","CuKα","","0.0429","0.0401","","","0.1062","0.1089","","","","","","1.074","","","","has coordinates","275656","2022-05-26","21:52:47",""
"7130156","18.118","0.0001","30.2812","0.0002","29.3934","0.0003","90","","95.393","0.001","90","","16054.9","0.2","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H198 Cu29 O18 P13 S18 -","- C108 H198 Cu29 O18 P13 S18 -","- C432 H792 Cu116 O72 P52 S72 -","4","1","","liu, xianhu; Shen, Hui; Gao, Yang; Deng, Guocheng; Deng, Hongwen; Han, Ying-Zi; Teo, Boon K.; Zheng, Nanfeng","Cu28H20: A Peculiar Chiral Nanocluster with an Exposed Cu Atom and 13 Surface Hydrides","Chemical Communications","2022","","","","","10.1039/D1CC06415K","","","1.54184","CuKα","","0.0488","0.0361","","","0.0833","0.0914","","","","","","1.036","","","","has coordinates","275670","2022-05-27","21:53:31",""
"7130157","14.2857","0.0015","5.8924","0.0005","21.571","0.002","90","","91.328","0.004","90","","1815.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Mishra, Manmath; Maharana, Prabhat Kumar; Karjee, Pallab; Punniyamurthy, Tharmalingam","Expedient cobalt-catalyzed stereospecific cascade C-N and C-O bonds formation of styrene oxides with hydrazones","Chemical Communications","2022","","","","","10.1039/D2CC01926D","","","0.71073","MoKα","","0.0618","0.0427","","","0.1277","0.1466","","","","","","0.9","","","","has coordinates","275685","2022-05-30","21:53:25",""
"7130158","17.757","0.004","16.954","0.003","26.591","0.005","90","","107.35","0.03","90","","7641","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C116 H44 Dy1.97 N4 Ni O -","- C116 H44 Dy1.9671 N4 Ni O -","- C464 H176 Dy7.8684 N16 Ni4 O4 -","4","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, Fupin; Avdoshenko, Stanislav; Chen, Ning; Popov, Alexey A.","Metallofullerene single-molecule magnet Dy2O@C2v(5)-C80 with a strong antiferromagnetic Dy···Dy coupling","Chemical Communications","2022","","","","","10.1039/D1CC07176A","","","0.71073","synchrotron","","0.1613","0.1492","","","0.3365","0.3428","","","","","","1.168","","","","has coordinates,has disorder","275686","2022-05-30","21:54:21",""
"7130159","21.011","0.003","7.5421","0.0009","18.744","0.002","90","","116.488","0.004","90","","2658.5","0.6","100","","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","23maya1","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","2","","Katiyar, Sarita; Kumar, Abhishek; Koneni, Sashidhara Sashidhara","Silver - Catalyzed Decarboxylative Cyclization for the Synthesis of Substituted Pyrazoles from 1,2-Diaza-1,3-dienes and α-Keto Acids","Chemical Communications","2022","","","","","10.1039/D2CC01793H","","x-ray","0.71073","MoKα","","0.0483","0.0465","","","0.1008","0.1018","","","","","","1.14","","","","has coordinates","275687","2022-05-30","21:54:52",""
"7130160","40.552","0.01","30.945","0.007","22.193","0.005","90","","99.116","0.012","90","","27498","11","200","2","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C224 H258 Ag36 F30 N14 O36 P2 S18 -","- C194 H184 Ag36 F30 N4 O24 P2 S18 -","- C776 H736 Ag144 F120 N16 O96 P8 S72 -","4","0.5","","Wu, Ya-Ge; Huang, Jia-Hong; Zhang, Chong; Dong, Xi-Yan; Guo, Xiang-Kun; Wu, Weina; Zang, Shuang-Quan","Site-specific sulfur-for-metal replacement in silver nanocluster","Chemical Communications","2022","","","","","10.1039/D2CC00794K","","","0.71073","MoKα","","0.14","0.0959","","","0.208","0.2606","","","","","","1.134","","","","has coordinates,has disorder","275702","2022-05-31","21:54:52",""
"7130161","41.1371","0.0003","30.7832","0.0002","21.9373","0.0001","90","","98.385","0.001","90","","27482.9","0.3","199.99","0.1","199.99","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C224 H258 Ag35 F30 N14 O36 P2 Pd S18 -","- C224 H244 Ag34.994 F30 N14 O36 P2 Pd S18 -","- C896 H976 Ag139.976 F120 N56 O144 P8 Pd4 S72 -","4","0.5","","Wu, Ya-Ge; Huang, Jia-Hong; Zhang, Chong; Dong, Xi-Yan; Guo, Xiang-Kun; Wu, Weina; Zang, Shuang-Quan","Site-specific sulfur-for-metal replacement in silver nanocluster","Chemical Communications","2022","","","","","10.1039/D2CC00794K","","x-ray","1.54184","CuKα","","0.0906","0.0722","","","0.1877","0.2066","","","","","","1.06","","","","has coordinates,has disorder","275702","2022-05-31","21:54:53",""
"7130162","6.331","0.0009","9.741","0.0013","13.1586","0.0019","80.485","0.004","88.98","0.005","82.009","0.005","792.55","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C38 H32 N8 -","2","1","","Cao, Shujun; Yuan, Weidong; Li, Yun; Teng, Xinjie; Si, Huaxing; Chen, Rongshun; Zhu, Yingguang","Photoredox/copper cocatalyzed domino cyclization of oxime esters with TMSCN: access to antifungal active tetrasubstituted pyrazines","Chemical Communications","2022","","","","","10.1039/D2CC02480B","","","0.71073","MoKα","","0.0886","0.0499","","","0.1184","0.1374","","","","","","1.027","","","","has coordinates","275703","2022-05-31","21:55:29",""
"7130163","10.494","0.0003","11.0423","0.0003","15.0933","0.0005","70.036","0.001","85.293","0.001","71.406","0.001","1557.37","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 N2 -","- C40 H40 N2 -","- C80 H80 N4 -","2","1","","Zhou, Wei; Cong, Xuefeng; Nishiura, Masayoshi; Hou, Zhaomin","Synthesis of Allylanilines via Scandium-Catalysed Benzylic C(sp3)−H Alkenylation with Alkynes","Chemical Communications","2022","","","","","10.1039/D2CC02489F","","","0.71073","MoKα","","0.0406","0.0361","","","0.0942","0.0975","","","","","","1.008","","","","has coordinates","275704","2022-05-31","21:56:01",""
"7130164","10.098","0.004","12.766","0.005","18.713","0.007","78.432","0.004","80.14","0.004","86.939","0.004","2328","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H96 Mo8 N8 O8 Se28.9 -","- C32 H96 Mo8 N8 O8 Se28.9 -","- C32 H96 Mo8 N8 O8 Se28.9 -","1","0.5","","Elliott, Alexander; McAllister, James; Masaityte, Liudvika; Segado-Centellas, Mireia; Long, De-Liang; Ganin, Alexey Y.; Song, Yu-Fei; Bo, Carles; Miras, Haralampos N.","Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation","Chemical Communications","2022","","","","","10.1039/D2CC01226J","","","0.71073","MoKα","","0.1382","0.0812","","","0.1825","0.2076","","","","","","1.04","","","","has coordinates","275718","2022-06-01","21:55:20",""
"7130165","18.614","0.01","11.422","0.006","11.422","","90","","90","","90","","2428.4","1.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H27 Mo2 N3 O2 Se6 -","- C10 H27 Mo2 N3 O2 Se6 -","- C40 H108 Mo8 N12 O8 Se24 -","4","1","","Elliott, Alexander; McAllister, James; Masaityte, Liudvika; Segado-Centellas, Mireia; Long, De-Liang; Ganin, Alexey Y.; Song, Yu-Fei; Bo, Carles; Miras, Haralampos N.","Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation","Chemical Communications","2022","","","","","10.1039/D2CC01226J","","","0.71073","MoKα","","0.0373","0.0344","","","0.0837","0.0847","","","","","","1.059","","","","has coordinates","275718","2022-06-01","21:55:22",""
"7130166","7.692","0.006","7.901","0.002","11.323","0.006","72.27","0.05","88.36","0.09","75.68","0.06","634.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C26 H20 Br2 N6 O4 -","2","1","","Devi, Lalita; Kumar, Prashant; Kant, Ruchir; Rastogi, Namrata","Exploiting the umpolung reactivity of diazo groups: direct access to triazolyl-azaarenes from azaarenes","Chemical Communications","2022","","","","","10.1039/D2CC01897G","","","1.54184","CuKα","","0.0708","0.0545","","","0.1286","0.1799","","","","","","1.124","","","","has coordinates","275719","2022-06-01","21:55:46",""
"7130167","13.2049","0.0004","20.9781","0.0005","21.1995","0.0006","102.061","0.002","90.23","0.003","92.195","0.002","5738.3","0.3","152","3","152","3","","","","","","","","4","P -1","-P 1","2","","","","- C61 H78 N2 O10 -","- C61 H78 N2 O10 -","- C244 H312 N8 O40 -","4","2","","Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra","Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes","Chemical Communications","2022","","","","","10.1039/D2CC02255A","","x-ray","1.54184","CuKα","","0.1333","0.1103","","","0.3212","0.3433","","","","","","1.293","","","","has coordinates","275720","2022-06-01","21:57:07",""
"7130168","13.3135","0.00009","22.57704","0.00013","20.66232","0.00013","90","","102.1","0.0006","90","","6072.69","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H86 N2 O10 -","- C65 H86 N2 O10 -","- C260 H344 N8 O40 -","4","1","","Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra","Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes","Chemical Communications","2022","","","","","10.1039/D2CC02255A","","","1.54184","CuKα","","0.0544","0.048","","","0.1285","0.1335","","","","","","1.062","","","","has coordinates","275720","2022-06-01","21:57:08",""
"7130169","13.2313","0.0001","22.6354","0.0002","20.6987","0.0002","90","","100.551","0.001","90","","6094.36","0.09","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H90 N2 O10 -","- C67 H90 N2 O10 -","- C268 H360 N8 O40 -","4","1","","Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra","Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes","Chemical Communications","2022","","","","","10.1039/D2CC02255A","","x-ray","1.54184","CuKα","","0.0668","0.0602","","","0.1686","0.175","","","","","","1.054","","","","has coordinates","275720","2022-06-01","21:57:08",""
"7130170","11.6081","0.0001","21.5262","0.0001","27.6794","0.0003","90","","120.036","0.001","90","","5987.67","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75 Cl3 I N O10 -","- C63 H75 Cl3 I N O10 -","- C252 H300 Cl12 I4 N4 O40 -","4","1","","Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra","Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes","Chemical Communications","2022","","","","","10.1039/D2CC02255A","","","1.54184","CuKα","","0.0494","0.0465","","","0.1222","0.1245","","","","","","1.039","","","","has coordinates,has disorder","275720","2022-06-01","21:57:08",""
"7130171","13.0231","0.0001","14.5127","0.0001","15.2425","0.0001","89.096","0.001","86.187","0.001","83.07","0.001","2853.37","0.04","149.9","0.2","149.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H164 N2 O22 -","- C122 H160 N2 O20 -","- C122 H160 N2 O20 -","1","0.5","","Khamphaijun, Korawit; Namnouad, Phitawat; Docker, Andrew; Ruengsuk, Araya; Tantirungrotechai, Jonggol; Díaz-Torres, Raúl; Harding, David J.; Bunchuay, Thanthapatra","Neutral Isocyanide-Templated Assembly of Pillar[5]arene [2] and [3]Pseudorotaxanes","Chemical Communications","2022","","","","","10.1039/D2CC02255A","","x-ray","1.54184","CuKα","","0.0467","0.0413","","","0.1108","0.115","","","","","","1.051","","","","has coordinates","275720","2022-06-01","21:57:08",""
"7130172","11.52","0.17","8.28","0.02","17.87","0.11","90","","106.8","0.8","90","","1632","3","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O6 -","- C21 H16 O6 -","- C84 H64 O24 -","4","1","","Cao, Jing-Si; Zeng, Jing; Xiao, Jian; Wang, Xiao-Han; Wang, Yawen; Peng, Yu","Total synthesis of linoxepin facilitated by Ni-catalyzed tandem reductive cyclization","Chemical Communications","2022","","","","","10.1039/D2CC02221D","","","0.71073","MoKα","","0.1794","0.0752","","","0.1575","0.2213","","","","","","1.02","","","","has coordinates","275721","2022-06-01","21:58:03",""
"7130173","7.6456","0.0009","8.944","0.003","13.8908","0.0019","98.172","0.017","100.703","0.011","94.856","0.016","917.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 Br O6 -","- C21 H19 Br O6 -","- C42 H38 Br2 O12 -","2","1","","Cao, Jing-Si; Zeng, Jing; Xiao, Jian; Wang, Xiao-Han; Wang, Yawen; Peng, Yu","Total synthesis of linoxepin facilitated by Ni-catalyzed tandem reductive cyclization","Chemical Communications","2022","","","","","10.1039/D2CC02221D","","","0.71073","MoKα","","0.1389","0.0698","","","0.127","0.167","","","","","","1.019","","","","has coordinates","275721","2022-06-01","21:58:04",""
"7130174","20.507","0.004","4.8515","0.0008","14.046","0.002","90","","118.957","0.008","90","","1222.7","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C7 H5 O Te0.50","C7 H5 O Te0.50","","- C7 H5 O Te0.5 -","- C7 H5 O Te0.5 -","- C56 H40 O8 Te4 -","8","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0369","0.0316","","","0.0717","0.0749","","","","","","1.069","","","","has coordinates,has disorder","275722","2022-06-01","22:00:11",""
"7130175","22.1728","0.0011","12.048","0.0006","27.1631","0.0016","90","","110.65","0.002","90","","6790.1","0.6","139","2","139","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","C34 H26 D12 N2 O8 S2 Te","","","- C34 H38 N2 O8 S2 Te -","- C34 H38 N2 O8 S2 Te -","- C272 H304 N16 O64 S16 Te8 -","8","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0621","0.0391","","","0.0835","0.0982","","","","","","1.008","","","","has coordinates,has disorder","275722","2022-06-01","22:00:12",""
"7130176","19.243","0.0014","4.7234","0.0003","15.8545","0.0012","90","","90","","90","","1441.05","0.18","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 O6 Te -","- C16 H12 O6 Te -","- C64 H48 O24 Te4 -","4","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0821","0.0515","","","0.1028","0.1149","","","","","","1.023","","","","has coordinates,has disorder","275722","2022-06-01","22:00:12",""
"7130177","7.2109","0.0003","13.1523","0.0005","14.1608","0.0006","79.216","0.001","83.65","0.002","85.013","0.001","1308.18","0.09","140","2","139.99","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C68 H52 N8 O8 -","2","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0822","0.0517","","","0.1041","0.1164","","","","","","1.011","","","","has coordinates","275722","2022-06-01","22:00:12",""
"7130178","8.8678","0.0011","34.13","0.004","8.4805","0.0009","90","","90","","90","","2566.7","0.5","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C68 H48 N4 O4 -","- C68 H48 N4 O4 -","- C136 H96 N8 O8 -","2","0.5","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0556","0.0461","","","0.0964","0.1035","","","","","","1.059","","","","has coordinates","275722","2022-06-01","22:00:12",""
"7130179","11.0974","0.0008","11.6191","0.0007","11.6886","0.0006","81.846","0.003","70.846","0.002","81.139","0.002","1399.98","0.15","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl2 N4 O3 Te -","- C33 H24 Cl2 N4 O3 Te -","- C66 H48 Cl4 N8 O6 Te2 -","2","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.034","0.0283","","","0.064","0.0676","","","","","","1.035","","","","has coordinates","275722","2022-06-01","22:00:12",""
"7130180","29.849","0.006","8.7958","0.0018","17.216","0.004","90","","97.164","0.009","90","","4484.7","1.7","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C224 H192 N16 O16 -","8","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.1565","0.0618","","","0.1169","0.1573","","","","","","0.991","","","","has coordinates,has disorder","275722","2022-06-01","22:00:12",""
"7130181","9.0873","0.0012","9.255","0.0011","15.856","0.002","79.731","0.005","85.169","0.005","88.589","0.005","1307.5","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl2 N2 O2 Te -","- C29 H24 Cl2 N2 O2 Te -","- C58 H48 Cl4 N4 O4 Te2 -","2","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.058","0.0405","","","0.0872","0.0951","","","","","","1.068","","","","has coordinates,has disorder","275722","2022-06-01","22:00:13",""
"7130182","14.5391","0.0013","14.2888","0.0013","12.0108","0.0012","90","","90","","90","","2495.2","0.4","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O Te0.5 -","- C14 H9 Cl2 N O Te0.5 -","- C112 H72 Cl16 N8 O8 Te4 -","8","1","","Batabyal, Monojit; Jain, Saket; Upadhyay, Aditya; Raju, Saravanan; Kumar, Sangit","A base-free copper-assisted synthesis of C2-symmetric spirotelluranes and biaryls based on divergent stoichiometry of Na2Te","Chemical Communications","2022","","","","","10.1039/D2CC02181A","","","0.71073","MoKα","","0.0417","0.0334","","","0.0779","0.0833","","","","","","1.105","","","","has coordinates","275722","2022-06-01","22:00:13",""
"7130183","20.3555","0.0001","23.0087","0.0001","18.3408","0.0001","90","","90","","90","","8589.98","0.07","150","0.1","150","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C40 H67 Al K N2 O Si2 -","- C40 H67 Al K N2 O Si2 -","- C320 H536 Al8 K8 N16 O8 Si16 -","8","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0471","0.0443","","","0.126","0.1289","","","","","","1.022","","","","has coordinates,has disorder","275723","2022-06-01","22:02:17",""
"7130184","21.7511","0.0004","13.3392","0.0002","20.8348","0.0003","90","","101.877","0.002","90","","5915.64","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H86 Al K N2 O4 Si2 -","- C64 H86 Al K N2 O4 Si2 -","- C256 H344 Al4 K4 N8 O16 Si8 -","4","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0295","0.0281","","","0.072","0.0731","","","","","","1.035","","","","has coordinates","275723","2022-06-01","22:02:18",""
"7130185","22.4043","0.0004","17.8222","0.0003","22.5974","0.0005","90","","90","","90","","9023","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Al K N2 O2 Si2 -","- C46 H66 Al K N2 O2 Si2 -","- C368 H528 Al8 K8 N16 O16 Si16 -","8","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0571","0.0386","","","0.0875","0.0959","","","","","","1.015","","","","has coordinates","275723","2022-06-01","22:02:18",""
"7130186","44.6873","0.001","12.4327","0.0001","37.5655","0.0008","90","","127.202","0.003","90","","16623.8","0.8","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H68 Al K N2 O Si2 -","- C39 H68 Al K N2 O Si2 -","- C624 H1088 Al16 K16 N32 O16 Si32 -","16","2","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0512","0.0414","","","0.1008","0.1066","","","","","","1.019","","","","has coordinates,has disorder","275723","2022-06-01","22:02:18",""
"7130187","18.932","0.005","15.475","0.004","22.985","0.006","90","","94.362","0.014","90","","6714","3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H80 Cl4 N4 Pd2 -","- C74 H80 Cl4 N4 Pd2 -","- C296 H320 Cl16 N16 Pd8 -","4","1","","Zhang, Jin; Li, Tao; Li, Xue; Zhang, Gaopeng; Fang, Shuai; Yan, Wenxuan; Li, Xiangyang; Yang, Xiufang; Ma, Yangmin; Szostak, Michal","Air-Stable, Well-Defined Palladium–BIAN–NHC Chloro Dimer: Fast-Activating, Highly Efficient Catalyst for Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02253B","","","0.71073","MoKα","","0.097","0.0542","","","0.1202","0.1488","","","","","","1.064","","","","has coordinates","275748","2022-06-02","21:55:02",""
"7130188","8.7321","0.0002","15.7556","0.0004","9.1821","0.0002","90","","100.916","0.002","90","","1240.41","0.05","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H23 Cl2 N3 O S -","- C29 H23 Cl2 N3 O S -","- C58 H46 Cl4 N6 O2 S2 -","2","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Gao, Hao-Jie; Mo, Nan-Nan; Wang, Mincan; Mei, Guang-Jian","Catalytic asymmetric inverse-electron-demand aza-Diels–Alder reaction of 1,3-diazadienes with 3-vinylindoles","Chemical Communications","2022","","","","","10.1039/D2CC02458F","","x-ray","1.54184","CuKα","","0.0987","0.0938","","","0.2428","0.2506","","","","","","1.172","","","","has coordinates","275749","2022-06-02","21:56:04",""
"7130189","8.636","0.0005","8.636","0.0005","34.785","0.002","90","","90","","120","","2246.7","0.2","293","2","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C38 H32 N2 O2 Zn -","- C38 H32 N2 O2 Zn -","- C114 H96 N6 O6 Zn3 -","3","0.5","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","","0.71073","MoKα","","0.0486","0.0366","","","0.0595","0.0619","","","","","","1.0673","","","","has coordinates,has disorder","275773","2022-06-03","21:54:11",""
"7130190","8.6028","0.0002","8.6028","0.0002","34.6337","0.0008","90","","90","","120","","2219.78","0.09","113.15","","113.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C19 H16 N O Zn0.5 -","- C19 H16 N O Zn0.5 -","- C114 H96 N6 O6 Zn3 -","6","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","x-ray","0.71073","MoKα","","0.0472","0.039","","","0.0711","0.0732","","","","","","1.095","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7130191","8.6225","0.0009","28.466","0.002","14.1674","0.0011","90","","90","","90","","3477.4","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 N2 O2 Zn -","- C46 H36 N2 O2 Zn -","- C184 H144 N8 O8 Zn4 -","4","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","x-ray","0.71073","MoKα","","0.3027","0.1377","","","0.1399","0.1828","","","","","","1.011","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7130192","8.613","0.0005","14.1657","0.0008","28.4939","0.0015","90","","90","","90","","3476.5","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 N2 O2 Zn -","- C46 H36 N2 O2 Zn -","- C184 H144 N8 O8 Zn4 -","4","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","","0.71073","MoKα","","0.0696","0.0509","","","0.0908","0.0964","","","","","","1.0537","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7130193","18.044","0.01","32.231","0.019","16.8","0.009","90","","90","","90","","9770","9","235","2","235","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C105 H87 Cl0 Co2 N7 O5 -","- C105 H87 Co2 N7 O5 -","- C420 H348 Co8 N28 O20 -","4","1","","Wang, Zhaolong; Gou, Xinyu; Wang, Gang; Chang, Xingmao; Liu, Ke; Liu, Taihong; He, Gang; Fang, Yu","A persistent radical anion derived from a propeller-shaped perylene bisimide-carbazole pentad","Chemical Communications","2022","","","","","10.1039/D2CC02042D","","","1.34139","GaKα","","0.2599","0.0911","","","0.2116","0.2967","","","","","","0.901","","","","has coordinates","275837","2022-06-06","21:54:19",""
"7130194","9.1253","0.0007","8.8443","0.0007","12.6798","0.0011","90","","90.442","0.003","90","","1023.32","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Fe2 H4 Na6 O26 S6 -","- Fe2 H4 Na6 O26 S6 -","- Fe4 H8 Na12 O52 S12 -","2","0.5","","Lan, Yuanqi; Yan, Qi; Zhang, Xinyuan; Yao, Wenjiao; Wang, Chenchen; Lee, Chun-Sing; Lightfoot, Philip; Tang, Yongbing","Perovskite-derived structure modulation in the iron sulfate family","Chemical Communications","2022","","","","","10.1039/D2CC02242G","","","0.71073","MoKα","","0.1147","0.0613","","","0.1091","0.1358","","","","","","1.093","","","","has coordinates","275838","2022-06-06","21:55:04",""
"7130195","9.684","0.003","9.259","0.003","8.244","0.002","90","","113.359","0.008","90","","678.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Fe Na6 O16 S4 -","- Fe Na6 O16 S4 -","- Fe2 Na12 O32 S8 -","2","0.5","","Lan, Yuanqi; Yan, Qi; Zhang, Xinyuan; Yao, Wenjiao; Wang, Chenchen; Lee, Chun-Sing; Lightfoot, Philip; Tang, Yongbing","Perovskite-derived structure modulation in the iron sulfate family","Chemical Communications","2022","","","","","10.1039/D2CC02242G","","","0.71073","MoKα","","0.0548","0.0381","","","0.0781","0.0877","","","","","","1.033","","","","has coordinates","275838","2022-06-06","21:55:05",""
"7130196","9.4765","0.0008","9.5081","0.0009","9.6072","0.0008","113.231","0.003","105.646","0.002","108.917","0.002","669.18","0.11","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- F8 Fe3 Na12 O24 S6 -","- F8 Fe3 Na12 O24 S6 -","- F8 Fe3 Na12 O24 S6 -","1","0.5","","Lan, Yuanqi; Yan, Qi; Zhang, Xinyuan; Yao, Wenjiao; Wang, Chenchen; Lee, Chun-Sing; Lightfoot, Philip; Tang, Yongbing","Perovskite-derived structure modulation in the iron sulfate family","Chemical Communications","2022","","","","","10.1039/D2CC02242G","","","0.71073","MoKα","","0.0356","0.0275","","","0.0622","0.0669","","","","","","1.017","","","","has coordinates","275838","2022-06-06","21:55:05",""
"7130197","9.8114","0.0008","21.6884","0.0017","9.7138","0.0007","90","","90","","90","","2067","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C104 H92 B4 N8 O8 -","4","1","","Işık, Murat; Dündar, Esra; Şahin, Ertan; Tanyeli, Cihangir","A boron dipyrromethene chiral at boron and carbon with a bent geometry: synthesis, resolution and chiroptical properties","Chemical Communications","2022","","","","","10.1039/D2CC02179J","","","0.71073","MoKα","","0.0987","0.043","","","0.083","0.1032","","","","","","1.06","","","","has coordinates","275881","2022-06-07","21:53:38",""
"7130198","16.709","0.0005","23.6685","0.0007","20.7456","0.0006","90","","96.23","0.001","90","","8156","0.4","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H72 B Dy F2 N6 O4 -","- C71 H72 B Dy F2 N6 O4 -","- C284 H288 B4 Dy4 F8 N24 O16 -","4","2","","Wu, Jinjiang; Wang, Guo-Lu; Zhu, Zhenhua; Zhao, Chen; Li, Xiao-Lei; Zhang, Yi-Quan; Tang, Jinkui","Terminal fluoride coordinated air-stable chiral dysprosium single-ion magnets","Chemical Communications","2022","","","","","10.1039/D2CC02570A","","","0.71073","MoKα","","0.0536","0.0456","","","0.1138","0.1188","","","","","","1","","","","has coordinates","275882","2022-06-07","21:54:27",""
"7130199","16.7039","0.0004","23.7837","0.0007","20.8546","0.0006","90","","96.142","0.001","90","","8237.6","0.4","180","","180","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 B Dy F2 N6 O3 -","- C72 H72 B Dy F2 N6 O3 -","- C288 H288 B4 Dy4 F8 N24 O12 -","4","2","","Wu, Jinjiang; Wang, Guo-Lu; Zhu, Zhenhua; Zhao, Chen; Li, Xiao-Lei; Zhang, Yi-Quan; Tang, Jinkui","Terminal fluoride coordinated air-stable chiral dysprosium single-ion magnets","Chemical Communications","2022","","","","","10.1039/D2CC02570A","","","0.71073","MoKα","","0.0411","0.0371","","","0.0921","0.0945","","","","","","1.036","","","","has coordinates","275882","2022-06-07","21:54:28",""
"7130200","14.1038","0.0008","20.1701","0.0006","19.1599","0.001","90","","111.044","0.006","90","","5087","0.5","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C100 H132 Li N2 O17 Ta W2 -","- C100 H130 Li N2 O17 Ta W2 -","- C200 H260 Li2 N4 O34 Ta2 W4 -","2","0.5","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","x-ray","0.6889","synchrotron","","0.1099","0.0815","","","0.2002","0.2194","","","","","","1","","","","has coordinates,has disorder","275924","2022-06-08","21:58:26",""
"7130201","21.03282","0.00017","18.94309","0.00017","24.7719","0.0002","90","","102.255","0.0009","90","","9644.88","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H125 Mo2 N7 O10 -","- C102 H125 Mo2 N7 O10 -","- C408 H500 Mo8 N28 O40 -","4","1","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","1.54178","CuKα","","0.0514","0.043","","","0.1076","0.1133","","","","","","1.033","","","","has coordinates,has disorder","275924","2022-06-08","21:58:27",""
"7130202","17.0576","0.0005","17.852","0.0004","22.061","0.0004","86.3411","0.0016","71.046","0.002","69.098","0.002","5925.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C115 H152 N9 Nb2 O20 V4 -","- C109 H143 N6 Nb2 O20 V4 -","- C218 H286 N12 Nb4 O40 V8 -","2","1","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","0.71073","MoKα","","0.1092","0.0718","","","0.1565","0.1744","","","","","","1.074","","","","has coordinates,has disorder","275924","2022-06-08","21:58:27",""
"7130203","16.1718","0.0005","19.5","0.0005","21.3597","0.0008","79.652","0.003","69.474","0.003","69.029","0.003","5879","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C111 H143.5 N8.5 O15 Ta2 V2 -","- C102 H130 N4 O15 Ta2 V2 -","- C204 H260 N8 O30 Ta4 V4 -","2","1","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","1.54178","CuKα","","0.1205","0.084","","","0.2157","0.2513","","","","","","1.073","","","","has coordinates,has disorder","275924","2022-06-08","21:58:28",""
"7130204","20.98734","0.00013","22.70548","0.00017","25.64355","0.00011","108.946","0.0006","102.293","0.0005","110.794","0.0006","10033.3","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H128 Li N8 Nb O13 W2 -","- C104 H128 Li N8 Nb O13 W2 -","- C416 H512 Li4 N32 Nb4 O52 W8 -","4","2","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","1.54178","CuKα","","0.0497","0.0457","","","0.1169","0.12","","","","","","1.034","","","","has coordinates,has disorder","275924","2022-06-08","21:58:28",""
"7130205","16.0305","0.0003","19.5063","0.0004","21.081","0.0004","79.9014","0.0016","70.1965","0.0017","69.0785","0.0017","5782.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H148 N10 Nb2 O15 V2 -","- C110 H142 N8 Nb2 O15 V2 -","- C220 H284 N16 Nb4 O30 V4 -","2","1","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","1.54178","CuKα","","0.0607","0.0512","","","0.1415","0.1476","","","","","","1.073","","","","has coordinates,has disorder","275924","2022-06-08","21:58:28",""
"7130206","15.4661","0.0002","17.4102","0.0003","22.4328","0.0003","80.1717","0.0012","85.4069","0.0011","66.0269","0.0014","5437.97","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C109.55 H144.73 Li N5 Nb O15 W2 -","- C109.553 H144.735 Li N5 Nb O15 W2 -","- C219.106 H289.47 Li2 N10 Nb2 O30 W4 -","2","1","","Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl","Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies","Chemical Communications","2022","","","","","10.1039/D2CC02236B","","","1.54178","CuKα","","0.055","0.0474","","","0.1251","0.1317","","","","","","1.044","","","","has coordinates,has disorder","275924","2022-06-08","21:58:28",""
"7130207","13.945","0.003","17.044","0.004","19.7","0.005","76.945","0.008","71.585","0.007","85.672","0.008","4327.6","1.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H98 N8 O12 -","- C104 H98 N8 O12 -","- C208 H196 N16 O24 -","2","1","","Dalcanale, Enrico; Rozzi, Andrea; Pedrini, Alessandro; Pinalli, Roberta; Massera, Chiara; Elmi, Ivan; Zampolli, Stefano","Tuning the conformational flexibility of quinoxaline cavitands for complexation at the gas-solid interface","Chemical Communications","2022","","","","","10.1039/D2CC02710K","","","1.54184","CuKα","","0.0655","0.0617","","","0.1711","0.175","","","","","","1.017","","","","has coordinates,has disorder","275925","2022-06-08","22:00:13",""
"7130208","17.4","0.0009","19.8102","0.001","25.431","0.001","90","","107.655","0.003","90","","8353.1","0.7","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C100 H96 N8 O12 -","- C100 H96 N8 O12 -","- C400 H384 N32 O48 -","4","1","","Dalcanale, Enrico; Rozzi, Andrea; Pedrini, Alessandro; Pinalli, Roberta; Massera, Chiara; Elmi, Ivan; Zampolli, Stefano","Tuning the conformational flexibility of quinoxaline cavitands for complexation at the gas-solid interface","Chemical Communications","2022","","","","","10.1039/D2CC02710K","","","1.54178","CuKα","","0.0878","0.0772","","","0.2222","0.2368","","","","","","1.026","","","","has coordinates,has disorder","275925","2022-06-08","22:00:14",""
"7130209","6.2148","0.0001","7.6293","0.0002","38.5427","0.0004","90","","90","","90","","1827.49","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 S2 Si0.25 -","- C22 H23 S Si -","- C88 H92 S4 Si4 -","4","1","","Mu, Delong; Pan, Shuqiong; Wang, Xiaoyu; Liao, Xiaoyun; Huang, Yong; Chen, Jiean","Enantioselective synthesis of acyclic monohydrosilanes by steric hindrance assisted C–H silylation","Chemical Communications","2022","","","","","10.1039/D2CC02307E","","","1.54184","CuKα","","0.0521","0.052","","","0.1481","0.1482","","","","","","1.087","","","","has coordinates","275926","2022-06-08","22:00:48",""
"7130210","8.8134","0.00015","24.0719","0.0004","10.19512","0.00014","90","","90.01","","90","","2162.95","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H44 Cd2 N4 O21 -","- C42 H44 Cd2 N4 O21 -","- C84 H88 Cd4 N8 O42 -","2","1","","Zang, Shuang-Quan; Li, Hai-Yang; Hua, Xue; Fu, Ting; Liu, Xiao-Fei","Photochromic and Electrochromic Properties of Viologen-Based Multifunctional Cd-MOF","Chemical Communications","2022","","","","","10.1039/D2CC02703H","","x-ray","1.54184","CuKα","","0.0471","0.046","","","0.1158","0.1166","","","","","","1.015","","","","has coordinates","275940","2022-06-09","21:53:50",""
"7130211","8.74302","0.00007","23.97044","0.00018","10.19537","0.00008","90","","90.06","","90","","2136.68","0.03","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H44 Cd2 N4 O21 -","- C42 H44 Cd2 N4 O21 -","- C84 H88 Cd4 N8 O42 -","2","1","","Zang, Shuang-Quan; Li, Hai-Yang; Hua, Xue; Fu, Ting; Liu, Xiao-Fei","Photochromic and Electrochromic Properties of Viologen-Based Multifunctional Cd-MOF","Chemical Communications","2022","","","","","10.1039/D2CC02703H","","x-ray","1.54184","CuKα","","0.0355","0.0355","","","0.102","0.102","","","","","","1.022","","","","has coordinates","275940","2022-06-09","21:53:51",""
"7130212","10.688","0.001","13.5775","0.0014","17.3369","0.0018","90","","90","","90","","2515.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Au Cl4 N -","- C24 H24 Au Cl4 N -","- C96 H96 Au4 Cl16 N4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0194","","","0.0445","0.045","","","","","","1.055","","","","has coordinates,has disorder","275941","2022-06-09","21:55:06",""
"7130213","14.5039","0.0011","10.7587","0.0009","14.0722","0.0011","90","","90","","90","","2195.9","0.3","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H27 N Se -","- C29 H27 N Se -","- C116 H108 N4 Se4 -","4","0.5","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.046","0.0418","","","0.1172","0.1211","","","","","","1.064","","","","has coordinates,has disorder","275941","2022-06-09","21:55:06",""
"7130214","10.6","0.0011","13.4559","0.0014","17.58","0.002","90","","90","","90","","2507.5","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl4 Cu N -","- C24 H24 Cl4 Cu N -","- C96 H96 Cl16 Cu4 N4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","K-L~3~","0.0305","0.0295","","","0.0829","0.0836","","","","","","1.077","","","","has coordinates","275941","2022-06-09","21:55:06",""
"7130215","9.8164","0.0007","10.6281","0.0008","21.1616","0.0015","90","","90","","90","","2207.8","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N Se -","- C30 H31 N Se -","- C120 H124 N4 Se4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.0231","0.0223","","","0.0586","0.0589","","","","","","1.047","","","","has coordinates","275941","2022-06-09","21:55:06",""
"7130216","16.2539","0.0004","12.548","0.0003","27.7949","0.0006","90","","90","","90","","5668.9","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 Au Cl4 N -","- C30 H28 Au Cl4 N -","- C240 H224 Au8 Cl32 N8 -","8","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.0275","0.0187","","","0.0406","0.0438","","","","","","1.018","","","","has coordinates","275941","2022-06-09","21:55:07",""
"7130217","9.1178","0.0003","18.3487","0.0007","8.0923","0.0003","90","","90","","90","","1353.84","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Charette, André B.; St-Jacques, Kevin; Ladd, Carolyn L.","Access to hexahydroazepinone heterocycles via palladium-catalysed C(sp3)–H alkenylation/ring-opening of cyclopropanes","Chemical Communications","2022","","","","","10.1039/D2CC01917E","","x-ray","1.54178","CuKα","","0.0355","0.0351","","","0.0915","0.0923","","","","","","1.048","","","","has coordinates","275942","2022-06-09","21:56:00",""
"7130218","10.6041","0.0004","9.554","0.0003","11.2772","0.0004","90","","99.144","0.001","90","","1127.99","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Charette, André B.; St-Jacques, Kevin; Ladd, Carolyn L.","Access to hexahydroazepinone heterocycles via palladium-catalysed C(sp3)–H alkenylation/ring-opening of cyclopropanes","Chemical Communications","2022","","","","","10.1039/D2CC01917E","","x-ray","1.34139","GaKα","","0.0304","0.0284","","","0.0739","0.0751","","","","","","1.096","","","","has coordinates","275942","2022-06-09","21:56:00",""
"7130219","10.953","0.0002","11.3417","0.0002","28.7781","0.0005","90","","90","","90","","3574.98","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H49 N O3 -","- C42 H49 N O3 -","- C168 H196 N4 O12 -","4","1","","Yu, Shaoze; Shen, Guosong; He, Faqian; Yang, Xiaoyu","Asymmetric synthesis of planar-chiral macrocycles via organocatalyzed enantioselective macrocyclization","Chemical Communications","2022","","","","","10.1039/D2CC01690G","","","1.54178","CuKα","","0.0286","0.0283","","","0.0738","0.0741","","","","","","1.06","","","","has coordinates","275943","2022-06-09","21:56:52",""
"7130220","15.366","0.002","12.374","0.002","12.324","0.002","90","","90","","90","","2343.3","0.6","100","2","100.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Cd2 I O7 P -","- Cd2 I O7 P -","- Cd32 I16 O112 P16 -","16","1","","Chen, Qian-Qian; Hu, Chun-Li; Yao, Li-Jia; Chen, Jin; Cao, Ming-Yang; Li, Bing-Xuan; Mao, Jiang-Gao","Cd2(IO3)(PO4) and Cd1.62Mg0.38(IO3)(PO4): Metal iodate-phosphates with large SHG responses and wide band gaps","Chemical Communications","2022","","","","","10.1039/D2CC02353A","","","0.71073","MoKα","","0.0391","0.0362","","","0.0786","0.0812","","","","","","1.023","","","","has coordinates","276003","2022-06-13","21:53:06",""
"7130221","15.3319","0.0013","12.2073","0.0011","12.2169","0.0016","90","","90","","90","","2286.5","0.4","100","0.1","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- Cd1.62 I Mg0.38 O7 P -","- Cd1.623 I Mg0.377 O7 P -","- Cd25.968 I16 Mg6.032 O112 P16 -","16","1","","Chen, Qian-Qian; Hu, Chun-Li; Yao, Li-Jia; Chen, Jin; Cao, Ming-Yang; Li, Bing-Xuan; Mao, Jiang-Gao","Cd2(IO3)(PO4) and Cd1.62Mg0.38(IO3)(PO4): Metal iodate-phosphates with large SHG responses and wide band gaps","Chemical Communications","2022","","","","","10.1039/D2CC02353A","","","0.71073","MoKα","","0.0375","0.0354","","","0.0779","0.0794","","","","","","1.034","","","","has coordinates,has disorder","276003","2022-06-13","21:53:07",""
"7130222","30.6714","0.0012","30.6714","0.0012","14.4221","0.0008","90","","90","","120","","11749.7","0.9","100","","100","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","","- C6 H80 Gd3 K3 Na21 O147 P Sb3 W28 -","- C6 Gd3 K3 Na3 O188.601 P Sb3 W28 -","- C18 Gd9 K9 Na9 O565.804 P3 Sb9 W84 -","3","0.166667","","Tanuhadi, Elias; Rompel, Annette","Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation","Chemical Communications","2022","","","","","10.1039/D2CC02223K","","x-ray","0.71073","MoKα","","0.0569","0.0426","","","0.0876","0.0909","","","","","","0.975","","","","has coordinates,has disorder","276004","2022-06-13","21:54:53",""
"7130223","30.6654","0.0007","30.6654","0.0007","14.5899","0.0004","90","","90","","120","","11881.7","0.5","100","","100","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","","- C6 H82 K3 Na21 O148 P Sb3 W28 Y3 -","- C6 K3 Na3 O161.8 P Sb3 W28 Y3 -","- C18 K9 Na9 O485.4 P3 Sb9 W84 Y9 -","3","0.166667","","Tanuhadi, Elias; Rompel, Annette","Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation","Chemical Communications","2022","","","","","10.1039/D2CC02223K","","x-ray","0.71073","MoKα","","0.0415","0.0401","","","0.1048","0.1058","","","","","","1.055","","","","has coordinates,has disorder","276004","2022-06-13","21:54:54",""
"7130224","30.5911","0.0006","30.5911","0.0006","14.5883","0.0004","90","","90","","120","","11822.9","0.5","100","","100","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","","- C6 H82 K3 Na21 O148 P Sb3 W28 Y3 -","- C6 K3 Na5.1 O182.42 P Sb3 W28 Y3 -","- C18 K9 Na15.3 O547.26 P3 Sb9 W84 Y9 -","3","0.166667","","Tanuhadi, Elias; Rompel, Annette","Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation","Chemical Communications","2022","","","","","10.1039/D2CC02223K","","x-ray","0.71073","MoKα","","0.0539","0.0452","","","0.1115","0.1171","","","","","","1.017","","","","has coordinates,has disorder","276004","2022-06-13","21:54:54",""
"7130225","30.5334","0.0006","30.5334","0.0006","14.4965","0.0004","90","","90","","120","","11704.3","0.5","100","","100","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","","- C6 H80 K3 Na21 O147 P Sb3 W28 Yb3 -","- C6 K3 Na7.5 O194.8 P Sb3 W28 Yb3 -","- C18 K9 Na22.5 O584.4 P3 Sb9 W84 Yb9 -","3","0.166667","","Tanuhadi, Elias; Rompel, Annette","Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation","Chemical Communications","2022","","","","","10.1039/D2CC02223K","","x-ray","0.71073","MoKα","","0.0584","0.0456","","","0.1092","0.1134","","","","","","0.967","","","","has coordinates,has disorder","276004","2022-06-13","21:54:54",""
"7130226","7.0946","0.0006","9.7401","0.0007","10.3943","0.0008","62.776","0.005","77.724","0.005","74.122","0.006","611.11","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Huang, Bin; Long, Yaqiu; Song, Li-Rui; Li, He; Wang, Shen-Feng; Lin, Jian-Ping","Metal-free Hypervalent Iodine-promoted Tandem Carbonyl Migration and Unactivated C(Ph)-C(Alkyl) Bond Cleavage for Quinolone Scaffold Synthesis","Chemical Communications","2022","","","","","10.1039/D2CC02245A","","","0.71073","MoKα","","0.1456","0.0549","","","0.1321","0.1715","","","","","","0.942","","","","has coordinates","276049","2022-06-15","21:52:51",""
"7130227","7.9825","0.0004","9.6307","0.0005","12.1546","0.0006","68.286","0.005","76.02","0.004","83.671","0.004","842.17","0.08","103.15","","103.15","","","","","","","","","4","P -1","-P 1","2","bridged eosin Y","bridged eosin Y","","- C20 H7 Br3 O5 -","- C20 H7 Br3 O5 -","- C40 H14 Br6 O10 -","2","1","","Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro","Bridged eosin Y: A visible and near-infrared photoredox catalyst","Chemical Communications","2022","","","","","10.1039/D2CC02907C","","x-ray","1.54184","CuKα","","0.0401","0.0376","","","0.1034","0.1055","","","","","","1.105","","","","has coordinates","276050","2022-06-15","21:53:55",""
"7130228","16.1681","0.0005","8.098","0.0002","22.381","0.0007","90","","98.728","0.003","90","","2896.39","0.15","103.15","","103.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-(4-nitrophenyl)anthracene","9-(4-nitrophenyl)anthracene","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C160 H104 N8 O16 -","8","1","","Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro","Bridged eosin Y: A visible and near-infrared photoredox catalyst","Chemical Communications","2022","","","","","10.1039/D2CC02907C","","x-ray","1.54184","CuKα","","0.0347","0.0332","","","0.0873","0.0883","","","","","","1.068","","","","has coordinates","276050","2022-06-15","21:53:56",""
"7130229","9.6037","0.0004","11.996","0.0005","13.4769","0.0005","90","","97.696","0.004","90","","1538.63","0.11","103.15","","103.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)pyrene","1-(4-nitrophenyl)pyrene","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro","Bridged eosin Y: A visible and near-infrared photoredox catalyst","Chemical Communications","2022","","","","","10.1039/D2CC02907C","","x-ray","1.54184","CuKα","","0.0566","0.0499","","","0.1442","0.1513","","","","","","1.068","","","","has coordinates","276050","2022-06-15","21:53:56",""
"7130230","12.1091","0.0002","13.4501","0.0002","43.2055","0.0009","90","","90","","90","","7036.8","0.2","103.15","","103.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(4-nitrophenyl)perylene","1-(4-nitrophenyl)perylene","","- C52 H30 N2 O4 -","- C52 H30 N2 O4 -","- C416 H240 N16 O32 -","8","1","","Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro","Bridged eosin Y: A visible and near-infrared photoredox catalyst","Chemical Communications","2022","","","","","10.1039/D2CC02907C","","x-ray","1.54184","CuKα","","0.0639","0.0583","","","0.1379","0.141","","","","","","1.156","","","","has coordinates","276050","2022-06-15","21:53:56",""
"7130231","7.5247","0.0005","12.9354","0.0009","22.6658","0.0015","90","","90","","90","","2206.2","0.3","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H5 F6 N2 P -","- C10 H5 F6 N2 P -","- C80 H40 F48 N16 P8 -","8","1","","Dettling, Lea; Papke, Martin; Sklorz, Julian; Buzsaki, Daniel; Kelemen, Zsolt; Weber, Manuela; Nyulaszi, Laszlo; Muller, Christian","A New Access to Diazaphospholes via Cycloaddition-Cycloreversion Reactions on Triazaphospholes","Chemical Communications","2022","","","","","10.1039/D2CC02269A","","","0.71073","MoKα","","0.0514","0.044","","","0.1017","0.1047","","","","","","1.171","","","","has coordinates","276051","2022-06-15","21:55:10",""
"7130232","6.6629","0.0003","18.3901","0.0008","15.6561","0.0007","90","","100.123","0.002","90","","1888.5","0.15","100","2","99.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 F6 N2 O5 P W -","- C15 H5 F6 N2 O5 P W -","- C60 H20 F24 N8 O20 P4 W4 -","4","1","","Dettling, Lea; Papke, Martin; Sklorz, Julian; Buzsaki, Daniel; Kelemen, Zsolt; Weber, Manuela; Nyulaszi, Laszlo; Muller, Christian","A New Access to Diazaphospholes via Cycloaddition-Cycloreversion Reactions on Triazaphospholes","Chemical Communications","2022","","","","","10.1039/D2CC02269A","","","0.71073","MoKα","","0.0223","0.0192","","","0.0413","0.0422","","","","","","1.178","","","","has coordinates","276051","2022-06-15","21:55:21",""
"7130233","11.1075","0.0002","14.647","0.0002","16.9008","0.0003","112.521","0.0006","102.985","0.0005","91.3575","0.0005","2456.5","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N3 O5 P W -","- C22 H26 N3 O5 P W -","- C88 H104 N12 O20 P4 W4 -","4","2","","Dettling, Lea; Papke, Martin; Sklorz, Julian; Buzsaki, Daniel; Kelemen, Zsolt; Weber, Manuela; Nyulaszi, Laszlo; Muller, Christian","A New Access to Diazaphospholes via Cycloaddition-Cycloreversion Reactions on Triazaphospholes","Chemical Communications","2022","","","","","10.1039/D2CC02269A","","","0.71073","MoKα","","0.022","0.0192","","","0.044","0.0452","","","","","","1.04","","","","has coordinates","276051","2022-06-15","21:55:25",""
"7130234","5.8021","0.0002","9.3374","0.0005","14.887","0.0007","94.653","0.004","93.966","0.004","105.856","0.004","769.77","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N4 O2 -","- C34 H44 N4 O2 -","- C34 H44 N4 O2 -","1","0.5","","Van Hoof, Max; Bynens, Lize; Daelemans, Brent; Rodriguez Gonzalez, Miriam Candelaria; Van Meervelt, Luc; De Feyter, Steven; Dehaen, Wim","Octahydropyrimido[4,5-g]quinazoline-5,10-diones: Their multicomponent synthesis, self-assembly on graphite and electrochemistry","Chemical Communications","2022","","","","","10.1039/D2CC02070J","","x-ray","0.71073","MoKα","","0.1022","0.0642","","","0.1721","0.1977","","","","","","1.073","","","","has coordinates,has disorder","276070","2022-06-16","21:56:36",""
"7130235","7.9599","0.0003","11.6425","0.0004","15.6846","0.0004","90","","95.391","0.001","90","","1447.11","0.08","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O2 S2 -","- C16 H15 N O2 S2 -","- C64 H60 N4 O8 S8 -","4","1","","Yang, Chengyong; Liu, Zheng; Cheng, Rui; Du, Jiping; Ran, Chunhao; Wu, Di; Lan, Jingbo","Rh(III)-catalysed C–H/C–H cross-coupling of S-aryl sulfoximines with thiophenes: facile access to [1]benzothieno[3,2-b][1]benzothiophene (BTBT) and benzothiazines","Chemical Communications","2022","","","","","10.1039/D2CC02232J","","","0.71073","MoKα","","0.0628","0.0399","","","0.0877","0.0967","","","","","","1.031","","","","has coordinates,has disorder","276083","2022-06-17","21:52:04",""
"7130236","15.8615","0.0006","15.8615","0.0006","15.8615","0.0006","90","","90","","90","","3990.6","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba5.94 Cs1.06 I0.94 P20 Si12 -","- Ba5.94 Cs1.065 I0.935 P20 Si12 -","- Ba23.76 Cs4.26 I3.74 P80 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0137","0.0115","","","0.0233","0.0237","","","","","","1.189","","","","has coordinates","276084","2022-06-17","21:57:48",""
"7130237","15.6693","0.0007","15.6693","0.0007","15.6693","0.0007","90","","90","","90","","3847.2","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Cl Cs P20 Si12 Sr6 -","- Cl Cs P20 Si12 Sr6 -","- Cl4 Cs4 P80 Si48 Sr24 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0257","0.0223","","","0.0527","0.0537","","","","","","1.111","","","","has coordinates","276084","2022-06-17","21:57:48",""
"7130238","15.6447","0.0005","15.6447","0.0005","15.6447","0.0005","90","","90","","90","","3829.1","0.2","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br Cs P20 Si12 Sr6 -","- Br Cs P20 Si12 Sr6 -","- Br4 Cs4 P80 Si48 Sr24 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0129","0.0122","","","0.0278","0.028","","","","","","1.129","","","","has coordinates","276084","2022-06-17","21:57:48",""
"7130239","15.8551","0.0005","15.8551","0.0005","15.8551","0.0005","90","","90","","90","","3985.7","0.2","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 I0.88 P20 Rb1.12 Si12 -","- Ba5.898 I0.891 P20 Rb1.104 Si12 -","- Ba23.592 I3.564 P80 Rb4.416 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0135","0.0117","","","0.0262","0.0265","","","","","","1.261","","","","has coordinates","276084","2022-06-17","21:57:48",""
"7130240","15.6717","0.0009","15.6717","0.0009","15.6717","0.0009","90","","90","","90","","3849","0.4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Cl Na P20 Si12 -","- Ba6.0018 Cl Na0.996 P20 Si12 -","- Ba24.0072 Cl4 Na3.984 P80 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0211","0.0165","","","0.0293","0.0301","","","","","","1.177","","","","has coordinates","276084","2022-06-17","21:57:48",""
"7130241","15.8031","0.0006","15.8031","0.0006","15.8031","0.0006","90","","90","","90","","3946.6","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Br P20 Rb Si12 -","- Ba6 Br P20 Rb1.004 Si12 -","- Ba24 Br4 P80 Rb4.016 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0137","0.0115","","","0.0225","0.0229","","","","","","1.134","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130242","15.6324","0.0014","15.6324","0.0014","15.6324","0.0014","90","","90","","90","","3820.1","0.6","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Br P20 Rb Si12 Sr6 -","- Br P20 Rb Si12 Sr6 -","- Br4 P80 Rb4 Si48 Sr24 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.027","0.0226","","","0.0433","0.0446","","","","","","1.116","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130243","15.8173","0.0004","15.8173","0.0004","15.8173","0.0004","90","","90","","90","","3957.28","0.17","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Br Cs P20 Si12 -","- Ba6 Br Cs0.978 P20 Si12 -","- Ba24 Br4 Cs3.912 P80 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0136","0.0133","","","0.0317","0.0318","","","","","","1.339","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130244","15.757","0.003","15.757","0.003","15.757","0.003","90","0.03","90","0.03","90","0.03","3912.2","1.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Cl P20 Rb Si12 -","- Ba6.0024 Cl P20 Rb0.999 Si12 -","- Ba24.0096 Cl4 P80 Rb3.996 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0121","0.0114","","","0.0239","0.024","","","","","","1.387","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130245","15.7315","0.0006","15.7315","0.0006","15.7315","0.0006","90","","90","","90","","3893.2","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Cl K P20 Si12 -","- Ba6.0018 Cl K0.9984 P20 Si12 -","- Ba24.0072 Cl4 K3.9936 P80 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0104","0.01","","","0.0216","0.0216","","","","","","1.221","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130246","15.7803","0.0007","15.7803","0.0007","15.7803","0.0007","90","","90","","90","","3929.6","0.3","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ba6 Cl Cs P20 Si12 -","- Ba6 Cl Cs P20 Si12 -","- Ba24 Cl4 Cs4 P80 Si48 -","4","0.0208333","","Yox, Philip; Porter, Andrew P.; Dorn, Rick W.; Kyveryga, Victoria; Rossini, Aaron J.; Kovnir, Kirill","Semiconducting silicon–phosphorus frameworks for caging exotic polycations","Chemical Communications","2022","","","","","10.1039/D2CC02304K","","","0.71073","MoKα","","0.0149","0.0131","","","0.0233","0.0237","","","","","","1.198","","","","has coordinates","276084","2022-06-17","21:57:49",""
"7130247","10.1306","0.0009","10.1315","0.0008","11.0192","0.0009","67.839","0.007","63.57","0.008","88.924","0.007","922.67","0.17","300.47","0.15","300.47","0.15","","","","","","","","4","P -1","-P 1","2","","Peptide 6q","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C38 H44 N4 O12 -","2","1","","Sharma, Nagendra K.; Jena, Chinmay Kumar","Novel Cinnamic Acid Analogues: Synthesis of Aminotroponyl Acrylates by Pd(II)-Catalysed C(sp2)-H Olefination","Chemical Communications","2022","","","","","10.1039/D2CC02276A","","x-ray","0.71073","MoKα","","0.0818","0.0557","","","0.167","0.1799","","","","","","1.183","","","","has coordinates","276085","2022-06-17","21:59:41",""
"7130248","13.9692","0.0007","13.1008","0.0005","23.5542","0.001","90","","105.841","0.005","90","","4146.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Cl2 N5 O6 Os P -","- C47 H34 Cl2 N5 O6 Os P -","- C188 H136 Cl8 N20 O24 Os4 P4 -","4","1","","Xiang, Jing; Zhu, Jiang; Zhou, Miaomiao; Liu, Lu-Lu; Wang, Li-Xin; Peng, Min; Hou, Bi-Shun; Yiu, Shek-Man; To, Wai-Pong; Che, Chi-Ming; LAU, Kai Chung; Lau, Tai-Chu","Oxidative C-O bond cleavage of dihydroxybenzenes and conversion of coordinated cyanide to carbonyl by a luminescent Os(VI) cyanonitrido complex","Chemical Communications","2022","","","","","10.1039/D2CC03002K","","","0.71073","MoKα","","0.0844","0.0546","","","0.1196","0.1395","","","","","","1.038","","","","has coordinates","276110","2022-06-20","21:53:10",""
"7130249","33.5994","0.0016","12.6388","0.0005","26.005","0.0012","90","","126.456","0.001","90","","8882.2","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H53 N7 O6 Os -","- C39 H53 N7 O6 Os -","- C312 H424 N56 O48 Os8 -","8","1","","Xiang, Jing; Zhu, Jiang; Zhou, Miaomiao; Liu, Lu-Lu; Wang, Li-Xin; Peng, Min; Hou, Bi-Shun; Yiu, Shek-Man; To, Wai-Pong; Che, Chi-Ming; LAU, Kai Chung; Lau, Tai-Chu","Oxidative C-O bond cleavage of dihydroxybenzenes and conversion of coordinated cyanide to carbonyl by a luminescent Os(VI) cyanonitrido complex","Chemical Communications","2022","","","","","10.1039/D2CC03002K","","","0.71073","MoKα","","0.0546","0.0363","","","0.0854","0.0949","","","","","","1.04","","","","has coordinates","276110","2022-06-20","21:53:11",""
"7130250","5.5262","0.0016","70.03","0.03","11.417","0.004","90","","101.86","0.03","90","","4324","3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 F5 -","- C14 H23 F5 -","- C168 H276 F60 -","12","3","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","x-ray","1.54184","CuKα","","0.3485","0.1646","","","0.3423","0.4235","","","","","","1.438","","","","has coordinates","276111","2022-06-20","21:54:31",""
"7130251","11.7685","0.0006","4.7401","0.0002","17.0705","0.001","90","","103.918","0.006","90","","924.3","0.09","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 F4 -","- C18 H32 F4 -","- C36 H64 F8 -","2","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","","1.54184","CuKα","","0.1147","0.1045","","","0.3249","0.3408","","","","","","1.487","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130252","22.2117","0.0008","4.7445","0.00015","26.2704","0.0008","90","","92.597","0.003","90","","2765.62","0.16","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 F3 -","- C30 H51 F3 -","- C120 H204 F12 -","4","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","","1.54184","CuKα","","0.0924","0.0814","","","0.2372","0.2436","","","","","","1.153","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130253","19.1482","0.0008","4.711","0.0002","19.567","0.0009","90","","117.937","0.006","90","","1559.39","0.15","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H57 F3 O3 -","- C33 H57 F3 O3 -","- C66 H114 F6 O6 -","2","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","x-ray","1.54184","CuKα","","0.0808","0.0786","","","0.1986","0.2025","","","","","","1.046","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130254","19.3963","0.0011","4.7331","0.0003","26.5239","0.0015","90","","95.933","0.005","90","","2422","0.2","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 F3 -","- C24 H45 F3 -","- C96 H180 F12 -","4","1","","Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David","Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.","Chemical Communications","2022","","","","","10.1039/D2CC03010A","","","1.54184","CuKα","","0.0942","0.085","","","0.2468","0.2604","","","","","","1.056","","","","has coordinates","276111","2022-06-20","21:54:32",""
"7130255","8.8249","0.0007","11.0232","0.0009","12.612","0.0011","68.065","0.003","81.235","0.003","84.301","0.003","1123.57","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","Py=2BZT","2,2'-(2-(pyren-1-yl)ethene-1,1-diyl)bis(benzo[d]thiazole)","","- C32 H18 N2 S2 -","- C32 H18 N2 S2 -","- C64 H36 N4 S4 -","2","1","","Zhang, Xiangyu; Fu, Zhiyuan; Jiang, Xinyan; Yang, Zhiqiang; Wang, Shiyin; Wang, Kai; Wu, Zhijun; Zhang, Shitong; Liu, Haichao; Yang, Bing","Robust Formation of Discrete Non-Covalent Pyrene Dimers in Amorphous Film by Strong π–π Interaction","Chemical Communications","2022","","","","","10.1039/D2CC02125K","","","0.71073","MoKα","","0.0332","0.0291","","","0.0758","0.0798","","","","","","1.028","","","","has coordinates","276112","2022-06-20","21:55:16",""
"7130256","7.6766","0.0002","6.0445","0.0001","8.994","0.0002","90","","90","","90","","417.332","0.016","301.76","","301.76","","","","","","","","","3","P n a 21","P 2c -2n","33","","Lanthanum Orthothioborate","","- B La S3 -","- B La S3 -","- B4 La4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0076","0.0076","","","0.0177","0.0177","","","","","","1.194","","","","has coordinates","276134","2022-06-21","21:54:18",""
"7130257","7.5432","0.0002","6.0072","0.0001","8.8897","0.0002","90","","90","","90","","402.824","0.016","299.54","","299.54","","","","","","","","","3","P n a 21","P 2c -2n","33","","Praseodymium Orthothioborate","","- B Pr S3 -","- B Pr S3 -","- B4 Pr4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0094","0.0094","","","0.0204","0.0204","","","","","","1.165","","","","has coordinates","276134","2022-06-21","21:54:19",""
"7130258","7.6059","0.0002","6.0181","0.0001","8.9311","0.0002","90","","90","","90","","408.804","0.016","300.8","","300.8","","","","","","","","","3","P n a 21","P 2c -2n","33","","Cerium Orthothioborate","","- B Ce S3 -","- B Ce S3 -","- B4 Ce4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.008","0.0079","","","0.0173","0.0174","","","","","","1.124","","","","has coordinates","276134","2022-06-21","21:54:20",""
"7130259","7.4818","0.0002","6.0037","0.0001","8.853","0.0002","90","","90","","90","","397.663","0.015","300.33","","300.33","","","","","","","","","3","P n a 21","P 2c -2n","33","","Neodymium Orthothioborate","","- B Nd S3 -","- B Nd S3 -","- B4 Nd4 S12 -","4","1","","Breton, Logan S.; Morrison, Gregory; Lacroix, Matthew; Halasyamani, P. Shiv; Zur Loye, Hans-Conrad","Lanthanide Thioborates, an Emerging Class of Nonlinear Optical Materials, Efficiently Synthesized Using the Boron-Chalcogen Mixture Method","Chemical Communications","2022","","","","","10.1039/D2CC01260J","","","0.71073","MoKα","","0.0081","0.008","","","0.0178","0.0178","","","","","","1.146","","","","has coordinates","276134","2022-06-21","21:54:20",""
"7130260","8.34","0.0008","12.8996","0.0014","14.2181","0.0015","73.215","0.003","73.872","0.003","85.302","0.003","1406.8","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Cl2 N O3 -","- C35 H25 Cl2 N O3 -","- C70 H50 Cl4 N2 O6 -","2","1","","Zhao, Xiaoyu; Zhao, Jianzhang","Long-lived charge separated state and thermally activated delayed fluorescence in anthraquinone-phenoxazine electron donor–acceptor dyads","Chemical Communications","2022","","","","","10.1039/D2CC01958B","","","0.71073","MoKα","","0.1049","0.0593","","","0.1377","0.165","","","","","","1.019","","","","has coordinates","276135","2022-06-21","21:55:00",""
"7130261","21.661","0.006","23.081","0.005","13.499","0.003","90","","90","","90","","6749","3","179.97","","179.97","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C10 H5 In N O5 -","- C10 H5 In N O5 -","- C160 H80 In16 N16 O80 -","16","1","","Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu","Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material","Chemical Communications","2022","","","","","10.1039/D2CC02639B","","","0.71073","MoKα","","0.0669","0.0504","","","0.1583","0.1708","","","","","","1.135","","","","has coordinates,has disorder","276156","2022-06-22","21:54:59",""
"7130262","21.8718","0.0006","23.1289","0.0007","13.5024","0.0003","90","","90","","90","","6830.5","0.3","186","","186","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H4 In O5 -","- C8 H4 In O5 -","- C128 H64 In16 O80 -","16","1","","Jin, Jing; Xue, Juanjuan; Wu, Dan; Yang, Guoping; Wang, Yaoyu","Improved performance of the pyrimidine-modified porous In-MOF and an in situ prepared composite Ag@In-MOF material","Chemical Communications","2022","","","","","10.1039/D2CC02639B","","","0.71073","MoKα","","0.0378","0.0306","","","0.0809","0.0857","","","","","","1.058","","","","has coordinates","276156","2022-06-22","21:54:59",""
"7130263","9.2706","0.0003","9.6225","0.0003","14.6054","0.0005","88.272","0.001","72.816","0.001","83.884","0.001","1237.65","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GZ-479","","","- C21 H21 F12 N5 P2 -","- C21 H21 F12 N5 P2 -","- C42 H42 F24 N10 P4 -","2","1","","Zhang, Guoqi","Giant N-heterocyclic carbene-containing macrocycles for cobalt-catalysed hydroboration of alkynes","Chemical Communications","2022","","","","","10.1039/D2CC02815H","","","0.71073","MoKα","","0.0435","0.0376","","","0.0973","0.1022","","","","","","1.053","","","","has coordinates","276157","2022-06-22","21:55:40",""
"7130264","8.923","0.0003","12.4296","0.0003","18.4932","0.0006","82.99","0.0018","87.0124","0.0019","85.1082","0.0017","2026.52","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H75 F24 N13 P4 -","- C84 H75 F24 N13 P4 -","- C84 H75 F24 N13 P4 -","1","0.5","","Zhang, Guoqi","Giant N-heterocyclic carbene-containing macrocycles for cobalt-catalysed hydroboration of alkynes","Chemical Communications","2022","","","","","10.1039/D2CC02815H","","","1.54178","CuKα","","0.0997","0.0555","","","0.1275","0.1461","","","","","","1.027","","","","has coordinates,has disorder","276157","2022-06-22","21:55:40",""
"7130265","12.1655","0.0007","12.3858","0.0007","22.4816","0.0012","84.34","0.001","85.962","0.001","61.968","0.001","2974.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H202 B2 N4 Si14 -","- C113 H202 B2 N4 Si14 -","- C113 H202 B2 N4 Si14 -","1","0.5","","Koike, Taichi; Iwamoto, Takeaki","Twisted push-pull disilenes obtained by direct 1,2-hydro/chloroborylation of a silylone","Chemical Communications","2022","","","","","10.1039/D2CC02160A","","","0.71073","MoKα","","0.0885","0.0586","","","0.1146","0.1229","","","","","","1.052","","","","has coordinates,has disorder","276158","2022-06-22","21:56:30",""
"7130266","12.786","0.002","13.133","0.002","18.193","0.003","74.073","0.004","70.697","0.004","66.021","0.004","2599.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 B Cl N2 Si7 -","- C46 H88 B Cl N2 Si7 -","- C92 H176 B2 Cl2 N4 Si14 -","2","1","","Koike, Taichi; Iwamoto, Takeaki","Twisted push-pull disilenes obtained by direct 1,2-hydro/chloroborylation of a silylone","Chemical Communications","2022","","","","","10.1039/D2CC02160A","","","0.71073","MoKα","","0.0646","0.0485","","","0.1171","0.128","","","","","","1.025","","","","has coordinates","276158","2022-06-22","21:56:31",""
"7130267","12.6423","0.0005","15.0411","0.0006","23.2504","0.0009","90","","92.919","0.001","90","","4415.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 N2 Si7 -","- C38 H78 N2 Si7 -","- C152 H312 N8 Si28 -","4","1","","Koike, Taichi; Iwamoto, Takeaki","Twisted push-pull disilenes obtained by direct 1,2-hydro/chloroborylation of a silylone","Chemical Communications","2022","","","","","10.1039/D2CC02160A","","","0.71073","MoKα","","0.048","0.0355","","","0.0833","0.0911","","","","","","1.049","","","","has coordinates","276158","2022-06-22","21:56:31",""
"7130268","8.9922","0.0002","9.5814","0.0003","7.2372","0.0002","90","","96.57","0.001","90","","619.45","0.03","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H10 F7 P Ru -","- C11 H10 F7 P Ru -","- C22 H20 F14 P2 Ru2 -","2","0.5","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0215","0.021","","","0.0507","0.0511","","","","","","1.089","","","","has coordinates,has disorder","276195","2022-06-23","21:55:47",""
"7130269","9.0165","0.0004","13.3485","0.0006","10.9347","0.0005","90","","91.0311","0.0018","90","","1315.85","0.1","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl F6 P Ru -","- C11 H10 Cl F6 P Ru -","- C44 H40 Cl4 F24 P4 Ru4 -","4","1","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0261","0.0189","","","0.0398","0.0417","","","","","","1.028","","","","has coordinates","276195","2022-06-23","21:55:49",""
"7130270","6.9414","0.0002","15.3352","0.0004","7.3463","0.0002","90","","104.614","0.001","90","","756.7","0.04","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F6 P Ru -","- C13 H14 Cl F6 P Ru -","- C26 H28 Cl2 F12 P2 Ru2 -","2","1","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0223","0.0211","","","0.0511","0.0517","","","","","","1.047","","","","has coordinates","276195","2022-06-23","21:55:49",""
"7130271","7.029","0.0002","15.3782","0.0005","13.947","0.0005","90","","103.062","0.0012","90","","1468.57","0.08","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F7 P Ru -","- C13 H14 F7 P Ru -","- C52 H56 F28 P4 Ru4 -","4","1","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0276","0.0244","","","0.0552","0.0565","","","","","","1.089","","","","has coordinates,has disorder","276195","2022-06-23","21:55:49",""
"7130272","16.7069","0.0007","14.2729","0.0006","14.1391","0.0006","90","","112.203","0.001","90","","3121.6","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F6 N O2 P Ru -","- C13 H14 F6 N O2 P Ru -","- C104 H112 F48 N8 O16 P8 Ru8 -","8","2","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0572","0.0593","","","","","","1.046","","","","has coordinates,has disorder","276195","2022-06-23","21:55:49",""
"7130273","9.0446","0.0003","14.1266","0.0004","10.696","0.0003","90","","90.0265","0.0011","90","","1366.62","0.07","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F7 P Ru -","- C12 H12 F7 P Ru -","- C48 H48 F28 P4 Ru4 -","4","1","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0369","0.0292","","","0.0676","0.0714","","","","","","1.069","","","","has coordinates,has disorder","276195","2022-06-23","21:55:49",""
"7130274","13.8713","0.0006","13.8734","0.0006","14.9953","0.0007","89.4442","0.0016","79.4373","0.0016","89.6981","0.0016","2836.7","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl F6 P Ru -","- C12 H12 Cl F6 P Ru -","- C96 H96 Cl8 F48 P8 Ru8 -","8","4","","Williams, Luke J.; Bhonoah, Yunas; Walton, James W.","Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates","Chemical Communications","2022","","","","","10.1039/D2CC02508F","","x-ray","0.71073","MoKα","","0.0658","0.0457","","","0.1077","0.123","","","","","","1.059","","","","has coordinates,has disorder","276195","2022-06-23","21:55:49",""
"7130275","17.233","0.003","6.965","0.002","18.586","0.004","90","0.03","90","0.03","90","0.03","2230.8","0.9","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ccgnme","","","- C82 H82 F6 N8 O12 S4 -","- C82 H82 F6 N8 O12 S4 -","- C82 H82 F6 N8 O12 S4 -","1","0.25","","Cristóbal, Christian; Gaviña, Daniel; Alonso, Inés; Ribagorda, María; Carretero, Juan C.; del Pozo, Carlos; Adrio, Javier","Catalytic enantioselective intramolecular 1,3-dipolar cycloaddition of azomethine ylides with fluorinated dipolarophiles","Chemical Communications","2022","","","","","10.1039/D2CC02902B","","","0.71073","MoKα","","0.1976","0.1674","","","0.4126","0.4383","","","","","","1.872","","","","has coordinates","276196","2022-06-23","21:56:53",""
"7130276","11.577","0.007","11.122","0.007","12.605","0.008","90","","109.35","0.02","90","","1531.3","1.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JASOdiCl","","","- C14 H12 Cl2 F3 N O3 -","- C14 H12 Cl2 F3 N O3 -","- C56 H48 Cl8 F12 N4 O12 -","4","2","","Cristóbal, Christian; Gaviña, Daniel; Alonso, Inés; Ribagorda, María; Carretero, Juan C.; del Pozo, Carlos; Adrio, Javier","Catalytic enantioselective intramolecular 1,3-dipolar cycloaddition of azomethine ylides with fluorinated dipolarophiles","Chemical Communications","2022","","","","","10.1039/D2CC02902B","","","0.71073","MoKα","","0.1828","0.0534","","","0.0798","0.0997","","","","","","1.014","","","","has coordinates","276196","2022-06-23","21:57:04",""
"7130277","8.4867","0.0003","12.6562","0.0005","14.6198","0.0006","90","","98.911","0.004","90","","1551.35","0.11","295.9","0.6","295.9","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","","Garai, Sumit; Ghosh, Krishna Gopal; Biswas, Ashik; Chowdhury, Sushobhan; Sureshkumar, Devarajulu","Diastereoselective palladium-catalyzed C(sp3)–H cyanomethylation of amino acid and carboxylic acid derivatives","Chemical Communications","2022","","","","","10.1039/D2CC03106J","","x-ray","0.71073","MoKα","","0.0672","0.0535","","","0.1434","0.1517","","","","","","1.174","","","","has coordinates","276197","2022-06-23","21:57:40",""
"7130278","6.7461","0.0001","15.1159","0.0003","22.0277","0.0003","90","","90","","90","","2246.24","0.06","100","0.13","100","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N4 O3 -","- C28 H20 N4 O3 -","- C112 H80 N16 O12 -","4","1","","Garai, Sumit; Ghosh, Krishna Gopal; Biswas, Ashik; Chowdhury, Sushobhan; Sureshkumar, Devarajulu","Diastereoselective palladium-catalyzed C(sp3)–H cyanomethylation of amino acid and carboxylic acid derivatives","Chemical Communications","2022","","","","","10.1039/D2CC03106J","","x-ray","1.54184","CuKα","","0.0361","0.0328","","","0.0837","0.0858","","","","","","1.042","","","","has coordinates","276197","2022-06-23","21:57:40",""
"7130279","26.011","0.005","8.8798","0.0016","29.636","0.005","90","","90","","90","","6845","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H39 La N4 O9 -","- C33 H39 La N4 O9 -","- C264 H312 La8 N32 O72 -","8","1","","Pan, Ting; Wu, Peng; Zhang, Weina; Shen, Yu; Huo, Fengwei","Multi-responsive luminescent coordination polymer nanosheets for selective detection of nitroaromatics","Chemical Communications","2022","","","","","10.1039/D2CC01153K","","","0.71073","MoKα","","0.0544","0.0285","","","0.0612","0.0696","","","","","","1.062","","","","has coordinates,has disorder","276198","2022-06-23","21:58:10",""
"7130280","25.192","0.002","5.6061","0.0005","33.579","0.003","90","","110.115","0.003","90","","4453.1","0.7","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C228 H192 N24 O12 -","12","6","","Wang, Zhen-Hua; Wei, Lei; Jiao, Ke-Jin; Ma, Cong; Mei, Tian-Sheng","Nickel-Catalyzed Decarboxylative Cross-Coupling of Indole-3-acetic Acids with Aryl Bromides by Convergent Paired Electrolysis","Chemical Communications","2022","","","","","10.1039/D2CC02641D","","","0.71073","MoKα","","0.0673","0.0446","","","0.095","0.1086","","","","","","1.043","","","","has coordinates","276199","2022-06-23","21:58:46",""
"7130281","8.3081","0.0005","7.9162","0.0005","44.227","0.002","90","","90","","90","","2908.7","0.3","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N -","- C19 H19 N -","- C152 H152 N8 -","8","1","","Wang, Zhen-Hua; Wei, Lei; Jiao, Ke-Jin; Ma, Cong; Mei, Tian-Sheng","Nickel-Catalyzed Decarboxylative Cross-Coupling of Indole-3-acetic Acids with Aryl Bromides by Convergent Paired Electrolysis","Chemical Communications","2022","","","","","10.1039/D2CC02641D","","","0.71073","MoKα","","0.0566","0.0439","","","0.1058","0.1159","","","","","","1.042","","","","has coordinates","276199","2022-06-23","21:58:46",""
"7130282","8.876","0.0005","20.4157","0.0009","18.432","0.0009","90","","93.526","0.004","90","","3333.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al Ir2 O -","- C32 H47 Al Ir2 O -","- C128 H188 Al4 Ir8 O4 -","4","1","","Escomel, Léon; Abbott, Dan; Mougel, Victor; Veyre, Laurent; Thieuleux, Chloe; Camp, Clément","Highly Dispersed Silica-Supported Iridium and Iridium-Aluminium Catalysts for Methane Activation Prepared via Surface Organometallic Chemistry","Chemical Communications","2022","","","","","10.1039/D2CC02139K","","x-ray","0.71073","MoKα","","0.1013","0.0767","","","0.1824","0.2096","","","","","","1.085","","","","has coordinates","276261","2022-06-24","21:54:19",""
"7130283","6.9713","0.0006","12.0179","0.001","14.2464","0.0011","72.986","0.002","87.232","0.002","83.64","0.002","1134.15","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N7 O5 Zn -","- C22 H21 N7 O5 Zn -","- C44 H42 N14 O10 Zn2 -","2","1","","Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin","Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex","Chemical Communications","2022","","","","","10.1039/D2CC02777A","","","0.71073","MoKα","","0.0771","0.0564","","","0.1384","0.149","","","","","","1.059","","","","has coordinates","276269","2022-06-25","21:52:03",""
"7130284","6.5102","0.0009","7.7166","0.0012","17.682","0.003","102.09","0.009","91.927","0.012","100.163","0.009","852.7","0.2","302","2","302","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","1","","Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin","Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex","Chemical Communications","2022","","","","","10.1039/D2CC02777A","","","1.54178","CuKα","","0.1447","0.1173","","","0.3007","0.3149","","","","","","1.019","","","","has coordinates","276269","2022-06-25","21:52:05",""
"7130285","6.3098","0.001","7.1905","0.0012","20.346","0.003","98.586","0.009","94.474","0.008","91.396","0.009","909.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C36 H32 N12 O12 Zn2 -","2","1","","Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin","Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex","Chemical Communications","2022","","","","","10.1039/D2CC02777A","","","1.54178","CuKα","","0.1271","0.1156","","","0.2807","0.2862","","","","","","1.028","","","","has coordinates","276269","2022-06-25","21:52:05",""
"7130286","22.6978","0.0005","7.32067","0.00011","12.3466","0.0003","90","","121.241","0.003","90","","1754.06","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin","Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction","Chemical Communications","2022","","","","","10.1039/D2CC02225G","","x-ray","1.54184","CuKα","","0.0351","0.0338","","","0.0893","0.0911","","","","","","1.061","","","","has coordinates","276293","2022-06-27","21:52:17",""
"7130287","10.3484","0.0002","10.5112","0.0002","16.0533","0.0003","90","","90","","90","","1746.18","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin","Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction","Chemical Communications","2022","","","","","10.1039/D2CC02225G","","","1.54178","CuKα","","0.0323","0.0312","","","0.0967","0.0989","","","","","","0.862","","","","has coordinates","276293","2022-06-27","21:52:18",""
"7130288","12.3385","0.0005","7.6142","0.0003","19.685","0.0008","90","","99.363","0.004","90","","1824.72","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin","Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction","Chemical Communications","2022","","","","","10.1039/D2CC02225G","","x-ray","1.54184","CuKα","","0.0533","0.0429","","","0.1105","0.1198","","","","","","1.017","","","","has coordinates","276293","2022-06-27","21:52:18",""
"7130289","15.4366","0.0009","21.1309","0.0011","15.9329","0.0009","90","","107.727","0.005","90","","4950.4","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 K La O4.5 Si3 -","- C48 H72 K La O4.5 Si3 -","- C192 H288 K4 La4 O18 Si12 -","4","1","","Sun, Xiaofei; Münzfeld, Luca; Jin, Da; Hauser, Adrian; Roesky, Peter W.","Silole and germole complexes of lanthanum and cerium","Chemical Communications","2022","","","","","10.1039/D2CC02810G","","x-ray","0.71073","MoKα","","0.0408","0.0305","","","0.0767","0.0809","","","","","","1.026","","","","has coordinates,has disorder","276294","2022-06-27","21:53:17",""
"7130290","12.9801","0.0007","23.8817","0.0016","31.57","0.003","90","","96.258","0.006","90","","9728","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H64 Ce2 Ge K2 O2 Si2 -","- C44 H64 Ce2 Ge K2 O2 Si2 -","- C352 H512 Ce16 Ge8 K16 O16 Si16 -","8","1","","Sun, Xiaofei; Münzfeld, Luca; Jin, Da; Hauser, Adrian; Roesky, Peter W.","Silole and germole complexes of lanthanum and cerium","Chemical Communications","2022","","","","","10.1039/D2CC02810G","","x-ray","0.71073","MoKα","","0.0405","0.0299","","","0.073","0.0766","","","","","","1.02","","","","has coordinates,has disorder","276294","2022-06-27","21:53:18",""
"7130291","9.8748","0.0004","13.1071","0.0007","13.4761","0.0007","108.346","0.004","103.835","0.004","94.719","0.004","1583.87","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H96 Ge2 K2 La2 O4 Si4 -","- C56 H96 Ge2 K2 La2 O4 Si4 -","- C56 H96 Ge2 K2 La2 O4 Si4 -","1","0.5","","Sun, Xiaofei; Münzfeld, Luca; Jin, Da; Hauser, Adrian; Roesky, Peter W.","Silole and germole complexes of lanthanum and cerium","Chemical Communications","2022","","","","","10.1039/D2CC02810G","","x-ray","0.71073","MoKα","","0.0623","0.0516","","","0.1378","0.1439","","","","","","1.034","","","","has coordinates,has disorder","276294","2022-06-27","21:53:18",""
"7130292","7.3517","0.0004","20.2201","0.001","11.9402","0.0005","90","","91.625","0.004","90","","1774.22","0.15","116.1","0.1","116.1","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 S2 -","- C18 H14 Br N O2 S2 -","- C72 H56 Br4 N4 O8 S8 -","4","1","","Dong, Ziyang; Ma, Meng-Yao; Xu, Jiaxi; Yang, Zhanhui","Catalytic (3 + 2) umpolung annulations of α-thioacyl carbenes with aryl isothiocyanates","Chemical Communications","2022","","","","","10.1039/D2CC02882D","","x-ray","0.71073","MoKα","","0.0603","0.0421","","","0.0741","0.0807","","","","","","1.036","","","","has coordinates","276366","2022-06-28","21:52:23",""
"7130293","10.6885","0.0008","16.1197","0.0013","15.1271","0.0013","90","","92.152","0.002","90","","2604.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Au Cl N3 -","- C27 H31 Au Cl N3 -","- C108 H124 Au4 Cl4 N12 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0599","0.0487","","","0.115","0.1211","","","","","","0.971","","","","has coordinates","276368","2022-06-28","21:54:18",""
"7130294","8.1502","0.0011","15.359","0.002","17.032","0.002","90","","90","","90","","2132","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Au Cl N3 -","- C21 H27 Au Cl N3 -","- C84 H108 Au4 Cl4 N12 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0467","0.0412","","","0.0901","0.0925","","","","","","1.117","","","","has coordinates","276368","2022-06-28","21:54:23",""
"7130295","8.9407","0.0005","9.6395","0.0006","17.2392","0.001","98.233","0.002","94.272","0.002","106.185","0.002","1401.88","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Au Cl N2 O2 -","- C28 H40 Au Cl N2 O2 -","- C56 H80 Au2 Cl2 N4 O4 -","2","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0226","0.0217","","","0.0492","0.0495","","","","","","1.18","","","","has coordinates,has disorder","276368","2022-06-28","21:54:23",""
"7130296","10.8669","0.0007","11.9595","0.0008","19.9146","0.0012","90","","100.258","0.002","90","","2546.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au Br N3 -","- C27 H31 Au Br N3 -","- C108 H124 Au4 Br4 N12 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0553","0.045","","","0.108","0.1133","","","","","","1.012","","","","has coordinates","276368","2022-06-28","21:54:23",""
"7130297","9.8777","0.0007","13.2885","0.001","19.8719","0.0014","90","","90","","90","","2608.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Au Cl N2 O2 -","- C26 H34 Au Cl N2 O2 -","- C104 H136 Au4 Cl4 N8 O8 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.04","0.0388","","","0.0997","0.1004","","","","","","0.766","","","","has coordinates","276368","2022-06-28","21:54:23",""
"7130298","10.118","0.0014","12.94","0.0018","19.485","0.003","90","","90","","90","","2551.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Au Cl N2 O -","- C25 H34 Au Cl N2 O -","- C100 H136 Au4 Cl4 N8 O4 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0202","0.02","","","0.0535","0.0537","","","","","","1.028","","","","has coordinates","276368","2022-06-28","21:54:24",""
"7130299","18.836","0.0012","7.3826","0.0005","17.1906","0.0011","90","","115.542","0.001","90","","2156.9","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0705","0.0641","","","0.1569","0.1603","","","","","","1.116","","","","has coordinates","276368","2022-06-28","21:54:24",""
"7130300","12.7402","0.0008","13.7979","0.0008","16.0681","0.0009","90","","90","","90","","2824.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Au Cl N2 O -","- C31 H40 Au Cl N2 O -","- C124 H160 Au4 Cl4 N8 O4 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0176","0.0169","","","0.0384","0.0385","","","","","","1.024","","","","has coordinates","276368","2022-06-28","21:54:24",""
"7130301","13.7599","0.0011","18.696","0.0013","22.2335","0.0014","93.739","0.006","107.276","0.007","110.812","0.007","5011","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H144 Mg2 N8 -","- C110 H144 Mg2 N8 -","- C220 H288 Mg4 N16 -","2","1","","Rekhroukh, Feriel; Zhang, Linxing; Kong, Richard Y.; White, Andrew J. P.; Crimmin, Mark Richard","Stereoselective Insertion of Cyclopropenes into Mg–Mg Bonds","Chemical Communications","2022","","","","","10.1039/D2CC02931F","","","0.71073","MoKα","","0.183","0.0872","","","0.2138","0.2439","","","","","","0.932","","","","has coordinates,has disorder","276369","2022-06-28","21:55:46",""
"7130302","27.0624","0.0013","15.1465","0.0004","25.3866","0.0013","90","","121.506","0.007","90","","8872","0.9","173","0.14","173","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C95 H114 Mg2 N8 -","- C90 H102 Mg2 N8 -","- C360 H408 Mg8 N32 -","4","0.5","","Rekhroukh, Feriel; Zhang, Linxing; Kong, Richard Y.; White, Andrew J. P.; Crimmin, Mark Richard","Stereoselective Insertion of Cyclopropenes into Mg–Mg Bonds","Chemical Communications","2022","","","","","10.1039/D2CC02931F","","x-ray","1.54184","CuKα","","0.0993","0.0612","","","0.1525","0.1836","","","","","","1.017","","","","has coordinates","276369","2022-06-28","21:55:46",""
"7130303","16.1095","0.0005","8.073","0.0002","14.4851","0.0005","90","","94.1354","0.0019","90","","1878.91","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 B10 N -","- C15 H23 B10 N -","- C60 H92 B40 N4 -","4","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.1037","0.0576","","","0.1414","0.1702","","","","","","1.037","","","","has coordinates","276406","2022-06-29","21:54:54",""
"7130304","7.245","0.0004","13.3323","0.0008","13.4099","0.0008","112.58","0.0017","97.0506","0.0017","96.461","0.0016","1168.8","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B10 N O3 S -","- C18 H27 B10 N O3 S -","- C36 H54 B20 N2 O6 S2 -","2","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.058","0.0467","","","0.1187","0.1266","","","","","","1.03","","","","has coordinates","276406","2022-06-29","21:54:55",""
"7130305","12.4337","0.0005","25.7985","0.001","11.6316","0.0006","90","","105.754","0.002","90","","3590.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B10 N O2 -","- C11 H20 B10 N O2 -","- C88 H160 B80 N8 O16 -","8","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.1152","0.0728","","","0.2062","0.2458","","","","","","1.012","","","","has coordinates","276406","2022-06-29","21:54:55",""
"7130306","12.3559","0.0008","10.0473","0.0006","13.8323","0.0009","90","","92.944","0.004","90","","1714.92","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B10 N -","- C12 H23 B10 N -","- C48 H92 B40 N4 -","4","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.1378","0.0875","","","0.2369","0.2654","","","","","","1.119","","","","has coordinates","276406","2022-06-29","21:54:55",""
"7130307","11.828","0.0004","12.7569","0.0004","18.5339","0.0007","90","","100.076","0.0012","90","","2753.42","0.16","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 B10 Ir N O2 -","- C20 H40 B10 Ir N O2 -","- C80 H160 B40 Ir4 N4 O8 -","4","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.0339","0.0232","","","0.0498","0.0533","","","","","","1.038","","","","has coordinates","276406","2022-06-29","21:54:56",""
"7130308","7.0638","0.0003","14.7743","0.0008","22.2684","0.0011","90","","92.3578","0.0015","90","","2322","0.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B10 N O2 S -","- C17 H27 B10 N O2 S -","- C68 H108 B40 N4 O8 S4 -","4","1","","Lyu, Hairong; Xie, Zuowei","Transition Metal Catalyzed Selective B(3)-H or B(4)-H Amination of o-Carboranes via Dehydrogenative BH/NH Cross-Coupling","Chemical Communications","2022","","","","","10.1039/D2CC02852B","","","0.71073","MoKα","","0.0938","0.0535","","","0.12","0.1413","","","","","","1.005","","","","has coordinates","276406","2022-06-29","21:54:56",""
"7130309","12.88562","0.00002","12.88562","0.00002","12.88562","0.00002","90","","90","","90","","2139.52","0.006","293","","293","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","[Ag2(1,3-benzenedithiolate)]n","[Ag2(BDT)]n","- C6 H4 Ag2 S2 -","- C6 H4 Ag2 S2 -","- C72 H48 Ag24 S24 -","12","1","","Hawila, Saly; Abdallah, Ahmad; Rukemampunzi, Jean-Luc; Fateeva, Alexandra; Ledoux, Gilles; Debord, Régis; Paihlès, Stéphane; Guillou, Nathalie; Massuyeau, Florian; Gautier, Romain; Mesbah, Adel; Demessence, Aude","A chiral 3D silver(i)–benzenedithiolate coordination polymer exhibiting photoemission and non-linear optical response","Chemical Communications","2022","","","","","10.1039/D2CC02114E","powder diffraction","","0.67122","X-raysynchrotron","","","","","","","","","0.0371","3.81","","","","","","","has coordinates","276407","2022-06-29","21:56:17",""
"7130310","28.3005","0.0004","47.5333","0.001","51.9586","0.0007","90","","90","","90","","69896","2","135","","135","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","634","","- C267 H259 F13 N42 O42 -","- C267 H259 F13 N42 O42 -","- C2136 H2072 F104 N336 O336 -","8","1","","Koehler, Victor; Gauthier, Maxime; Yao, Chenhao; Fournel-Marotte, Karine; Waeles, Philip; Kauffmann, Brice; Huc, Ivan; Coutrot, Frédéric; Ferrand, Yann","[3]Foldarotaxane-Mediated Synthesis of an Improbable [2]Rotaxane","Chemical Communications","2022","","","","","10.1039/D2CC03066G","","x-ray","1.54178","CuKα","","0.1333","0.0953","","","0.2948","0.3297","","","","","","1.159","","","","has coordinates,has disorder","276408","2022-06-29","21:57:08",""
"7130311","6.388","0.003","6.99","0.003","11.658","0.005","83.368","0.005","80.845","0.004","73.214","0.004","490.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H11 Co2.5 O7 -","- C6 H11 Co2.5 O7 -","- C12 H22 Co5 O14 -","2","1","","Ma, Wen; Peng, Chengdong; Song, Xueling; Zhang, Lu; Fei, Honghan","Efficient and Reusable Catalysis of Benzylic C-H Oxidation over Layered [Co5(OH)6]4+ Derivatives","Chemical Communications","2022","","","","","10.1039/D2CC02424A","","","0.71073","MoKα","","0.1233","0.0791","","","0.1911","0.21","","","","","","1.081","","","","has coordinates","276454","2022-06-30","21:52:12",""
"7130312","8.3475","0.0004","18.7873","0.0008","13.0343","0.0006","90","","98.272","0.002","90","","2022.86","0.16","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H32 B F4 N2 O2 S6 -","- C38 H32 B F4 N2 O2 S6 -","- C76 H64 B2 F8 N4 O4 S12 -","2","1","","Yang, Yu-Ming; Zhang, Cairong; Yang, Hanlun; Tang, Zhen-Yu","‘Photo-Catalyzed Acetoxysulfoximination of Styrene with Sulfoximidoyl Thianthrenium Salt","Chemical Communications","2022","","","","","10.1039/D2CC02542F","","","0.71073","MoKα","","0.071","0.0426","","","0.0849","0.093","","","","","","1.022","","","","has coordinates","276488","2022-07-01","21:51:57",""
"7130313","10.6881","0.0001","16.1389","0.0002","17.6877","0.0002","90","","94.49","0.001","90","","3041.66","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au F6 N2 O -","- C30 H37 Au F6 N2 O -","- C120 H148 Au4 F24 N8 O4 -","4","1","","Nolan, Steven P.; Van Hecke, Kristof; Tzouras, Nikolaos V.; Gobbo, Alberto; Bracho, Nestor; Bhandary, Subhrajyoti; Vougioukalakis, Georgios C.; Chalkidis, Savvas","Hydrogen bonding-enabled gold catalysis: Ligand effects in gold-catalyzed cycloisomerizations in hexafluoroisopropanol (HFIP)","Chemical Communications","2022","","","","","10.1039/D2CC03056J","","x-ray","1.54184","CuKα","","0.0477","0.0306","","","0.0565","0.0612","","","","","","1.058","","","","has coordinates,has disorder","276489","2022-07-01","21:52:22",""
"7130314","12.541","0.004","21.466","0.006","12.422","0.004","90","","117.401","0.003","90","","2968.9","1.6","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 N3 S -","- C41 H29 N3 S -","- C164 H116 N12 S4 -","4","1","","Matsumoto, Keito; Tachi, Yoshimitsu; Kozaki, Masatoshi","Fused Polycyclic Compound Containing Phenothiazine and Diazapyrene Skeletons with Weak D-A interactions","Chemical Communications","2022","","","","","10.1039/D2CC02635J","","","0.71075","MoKα","","0.0678","0.0538","","","0.1317","0.1435","","","","","","0.966","","","","has coordinates","276499","2022-07-02","21:52:01",""
"7130315","11.0515","0.0003","21.279","0.0006","9.5549","0.0003","90","","100.608","0.001","90","","2208.58","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","","Zhao, Yang; Niu, Xin-Yue; Yang, Hong; Yang, Jing; Wang, Zhizeng; Wang, Qi-Lin","Substrate-directed divergent synthesis of fused indole polycycles through Rh(II)-catalyzed cascade reactions of bis(diazo)indolin-2-ones","Chemical Communications","2022","","","","","10.1039/D2CC02686D","","","1.54178","CuKα","","0.0424","0.0394","","","0.1","0.1025","","","","","","1.059","","","","has coordinates","276547","2022-07-04","21:51:25",""
"7130316","9.674","0.003","9.935","0.003","10.704","0.003","87.411","0.011","65.196","0.011","76.494","0.012","906.4","0.5","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhao, Yang; Niu, Xin-Yue; Yang, Hong; Yang, Jing; Wang, Zhizeng; Wang, Qi-Lin","Substrate-directed divergent synthesis of fused indole polycycles through Rh(II)-catalyzed cascade reactions of bis(diazo)indolin-2-ones","Chemical Communications","2022","","","","","10.1039/D2CC02686D","","","0.71073","MoKα","","0.1068","0.0814","","","0.2359","0.268","","","","","","1.068","","","","has coordinates,has disorder","276547","2022-07-04","21:51:25",""
"7130317","12.1823","0.0003","13.0452","0.0004","19.3857","0.0005","101.4","0.001","99.006","0.001","101.858","0.001","2892.47","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69.5 H72.25 N3 O9.5 -","- C69.5 H65 N3 O9.5 -","- C139 H130 N6 O19 -","2","1","","Romano, Giammarco Maria; Mummolo, Liviana; Savastano, Matteo; Paoli, Paola; Rossi, Patrizia; Prodi, Luca; Bencini, Andrea","Polyamine receptors containing anthracene as fluorescent probes for ketoprofen in H<sub>2</sub>O/EtOH solution.","Chemical communications (Cambridge, England)","2022","58","50","7022","7025","10.1039/d2cc01107g","","","1.54178","CuKα","","0.0703","0.0631","","","0.1692","0.1763","","","","","","1.012","","","","has coordinates,has disorder","276551","2022-07-04","23:12:37",""
"7130318","7.8248","0.0005","7.9556","0.0004","20.968","0.0011","90","","90","","90","","1305.28","0.13","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-mandelic acid , L-proline (1:1)","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.0535","0.0444","","","0.1134","0.1205","","","","","","1.092","","","","has coordinates","276572","2022-07-05","21:52:16",""
"7130319","14.6468","0.0007","5.7771","0.0002","16.2043","0.0009","90","","107.386","0.006","90","","1308.5","0.11","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-mandelic acid L-proline (1:2)","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","2","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0961","0.1027","","","","","","1.074","","","","has coordinates,has disorder","276572","2022-07-05","21:52:16",""
"7130320","5.9617","0.0014","9.3791","0.0015","16.778","0.003","90","","90.189","0.019","90","","938.1","0.3","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-mandelic acid L-proline (1:1)","","- C18 H26 N2 O7 -","- C18 H26 N2 O7 -","- C36 H52 N4 O14 -","2","1","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.1322","0.0769","","","0.1903","0.2162","","","","","","1.096","","","","has coordinates,has disorder","276572","2022-07-05","21:52:17",""
"7130321","37.176","0.0002","37.176","0.0002","11.9664","0.0001","90","","90","","90","","16538.2","0.19","120.15","","120","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","EA-416_Acetone","","- C87 H140 Cl14 N24 Ni14 O34 -","- C87 H140 Cl14 N24 Ni14 O34 -","- C348 H560 Cl56 N96 Ni56 O136 -","4","0.5","","Brechin, Euan K.; Agapaki, Eleftheria; Singh, Mukesh; Tsanai, Angelos B.; Nichol, Gary Stephen; Schnack, Jürgen","A graceful break-up: serendipitous self-assembly of a ferromagnetically coupled [NiII14] wheel","Chemical Communications","2022","","","","","10.1039/D2CC03445J","","x-ray","0.71073","MoKα","","0.0634","0.057","","","0.1273","0.13","","","","","","1.172","","","","has coordinates,has disorder","276573","2022-07-05","21:52:54",""
"7130322","6.5967","0.0004","12.0859","0.0006","14.3335","0.0007","105.426","0.001","97.881","0.001","103.322","0.001","1047.7","0.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H30 B2 F N O4 -","- C19 H30 B2 F N O4 -","- C38 H60 B4 F2 N2 O8 -","2","1","","Ataie, Saeed; Ovens, Jeffrey S.; Tom Baker, R.","Solvent-free Zn (NSNO) complex-catalysed dihydroboration of nitriles","Chemical Communications","2022","","","","","10.1039/D2CC03517K","","","0.71073","MoKα","","0.0526","0.0391","","","0.1","0.108","","","","","","1.036","","","","has coordinates,has disorder","276574","2022-07-05","21:53:33",""
"7130323","8.4071","0.0019","17.688","0.004","11.345","0.002","90","","103.767","0.007","90","","1638.6","0.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C76 H72 N8 O4 S4 -","4","1","","Ataie, Saeed; Ovens, Jeffrey S.; Tom Baker, R.","Solvent-free Zn (NSNO) complex-catalysed dihydroboration of nitriles","Chemical Communications","2022","","","","","10.1039/D2CC03517K","","","0.71073","MoKα","","0.0697","0.0418","","","0.0844","0.0955","","","","","","1.015","","","","has coordinates","276574","2022-07-05","21:53:33",""
"7130324","9.9532","0.0013","10.9777","0.0014","12.1123","0.0016","88.174","0.002","83.185","0.002","80.99","0.002","1297.7","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H64 N4 O6 S2 Zn2 -","- C54 H64 N4 O6 S2 Zn2 -","- C54 H64 N4 O6 S2 Zn2 -","1","0.5","","Ataie, Saeed; Ovens, Jeffrey S.; Tom Baker, R.","Solvent-free Zn (NSNO) complex-catalysed dihydroboration of nitriles","Chemical Communications","2022","","","","","10.1039/D2CC03517K","","","0.71073","MoKα","","0.0821","0.0487","","","0.1327","0.152","","","","","","1.014","","","","has coordinates,has disorder","276574","2022-07-05","21:53:33",""
"7130325","25.994","0.003","28.344","0.004","11.9777","0.0015","90","","113.851","0.003","90","","8071.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H30 Cl12 F20 O4 S4 -","- C74 H26 F20 O4 S4 -","- C296 H104 F80 O16 S16 -","4","0.5","","Ambhore, Madan Digambar; SHUKLA, PRAGATI; Gonnade, Rajesh G.; Anand, Venkataramanarao Govindan","Tailoring Diradicaloid Properties of Expanded Isophlorinoids with Systematic Core-Modification","Chemical Communications","2022","","","","","10.1039/D2CC02970G","","","0.71073","MoKα","","0.1091","0.0595","","","0.1234","0.1383","","","","","","1.036","","","","has coordinates","276697","2022-07-06","21:54:12",""
"7130326","13.49","0.005","18.005","0.006","19.696","0.007","90.718","0.008","109.418","0.007","98.519","0.008","4452","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H56 F20 S4 Se4 -","- C104 H56 F20 S4 Se4 -","- C208 H112 F40 S8 Se8 -","2","1","","Ambhore, Madan Digambar; SHUKLA, PRAGATI; Gonnade, Rajesh G.; Anand, Venkataramanarao Govindan","Tailoring Diradicaloid Properties of Expanded Isophlorinoids with Systematic Core-Modification","Chemical Communications","2022","","","","","10.1039/D2CC02970G","","","0.71073","MoKα","","0.118","0.0504","","","0.0828","0.1031","","","","","","1.005","","","","has coordinates,has disorder","276697","2022-07-06","21:54:13",""
"7130327","13.895","0.006","15.65","0.007","17.908","0.008","106.352","0.009","94.537","0.009","100.804","0.01","3634","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H29 Cl9 F20 O4 S4 -","- C77 H29 Cl9 F20 O4 S4 -","- C154 H58 Cl18 F40 O8 S8 -","2","1","","Ambhore, Madan Digambar; SHUKLA, PRAGATI; Gonnade, Rajesh G.; Anand, Venkataramanarao Govindan","Tailoring Diradicaloid Properties of Expanded Isophlorinoids with Systematic Core-Modification","Chemical Communications","2022","","","","","10.1039/D2CC02970G","","","0.71073","MoKα","","0.2931","0.1205","","","0.2935","0.3915","","","","","","1.021","","","","has coordinates,has disorder","276697","2022-07-06","21:54:13",""
"7130328","15.1009","0.0006","7.6217","0.0003","19.2497","0.0007","90","","93.892","0.002","90","","2210.43","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C104 H100 N4 O16 -","4","1","","Karjee, Pallab; Mishra, Manmath; Debnath, Bijoy; Punniyamurthy, Tharmalingam","Expedient Ni(OTf)2/visible light photoredox-catalyzed annulation of donor-acceptor cyclopropanes with cyclic secondary amines","Chemical Communications","2022","","","","","10.1039/D2CC02941C","","","0.71073","MoKα","","0.0695","0.0461","","","0.1055","0.1214","","","","","","1.06","","","","has coordinates","276698","2022-07-06","21:54:48",""
"7130329","9.4571","0.0009","9.5073","0.0008","10.3091","0.0009","82.722","0.007","74.531","0.008","73.505","0.008","855.26","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 F3 N O2 S2 -","- C17 H14 F3 N O2 S2 -","- C34 H28 F6 N2 O4 S4 -","2","1","","Chen, Xiaoyu; Pei, Congcong; Liu, Bo; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","Copper-Assisted Trifluoromethylthiolation/Radical Cascade Cyclization of Alkynes to Construct SCF3-Containing Dioxodibenzothiazepines","Chemical Communications","2022","","","","","10.1039/D2CC02171D","","x-ray","1.54184","CuKα","","0.0669","0.0479","","","0.1224","0.1418","","","","","","1.066","","","","has coordinates","276699","2022-07-06","21:55:25",""
"7130330","12.6157","0.0004","15.1843","0.0005","20.1243","0.0007","75.776","0.003","78.631","0.003","84.115","0.003","3657.6","0.2","150.03","0.18","150.03","0.18","","","","","","","","7","P -1","-P 1","2","","","","- C79 H115 Al Cu N2 O P -","- C79 H115 Al Cu N2 O P -","- C158 H230 Al2 Cu2 N4 O2 P2 -","2","1","","McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon","Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC02578G","","x-ray","1.54184","CuKα","","0.08","0.063","","","0.1713","0.1889","","","","","","1.046","","","","has coordinates","276700","2022-07-06","21:56:38",""
"7130331","13.2005","0.0007","13.541","0.001","22.718","0.0011","97.054","0.005","94.267","0.004","115.698","0.006","3594.3","0.4","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H115 Al Cu N2 O P -","- C76 H115 Al Cu N2 O P -","- C152 H230 Al2 Cu2 N4 O2 P2 -","2","1","","McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon","Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC02578G","","x-ray","1.54184","CuKα","","0.1628","0.1253","","","0.3156","0.3547","","","","","","1.217","","","","has coordinates,has disorder","276700","2022-07-06","21:56:38",""
"7130332","13.0581","0.0005","13.3038","0.0007","14.349","0.0005","99.705","0.004","104.191","0.003","98.075","0.004","2338.58","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 Al N2 O -","- C52 H74 Al N2 O -","- C104 H148 Al2 N4 O2 -","2","1","","McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon","Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC02578G","","x-ray","1.54184","CuKα","","0.0558","0.043","","","0.1091","0.1187","","","","","","1.028","","","","has coordinates,has disorder","276700","2022-07-06","21:56:38",""
"7130333","12.1884","0.0002","17.4389","0.0004","19.4541","0.0005","71.108","0.002","79.692","0.002","80.746","0.002","3825.54","0.15","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C71 H101 Al Cu N2 O2 P -","- C71 H101 Al Cu N2 O2 P -","- C142 H202 Al2 Cu2 N4 O4 P2 -","2","1","","McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon","Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC02578G","","x-ray","1.54184","CuKα","","0.0475","0.0409","","","0.1084","0.1148","","","","","","1.043","","","","has coordinates,has disorder","276700","2022-07-06","21:56:38",""
"7130334","13.8505","0.0002","23.4691","0.0004","20.3996","0.0003","90","","92.351","0.002","90","","6625.49","0.18","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H106 Al Cu N2 O2 P -","- C69 H106 Al Cu N2 O2 P -","- C276 H424 Al4 Cu4 N8 O8 P4 -","4","1","","McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon","Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC02578G","","x-ray","1.54184","CuKα","","0.0539","0.0426","","","0.1115","0.1211","","","","","","1.031","","","","has coordinates,has disorder","276700","2022-07-06","21:56:38",""
"7130335","19.1839","0.0014","19.3591","0.0014","21.9788","0.0017","98.356","0.005","109.317","0.005","109.104","0.004","6978.3","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C180 H176 N20 O62 Rh12 -","- C179.999 H175.998 N20 O62 Rh12 -","- C179.999 H175.998 N20 O62 Rh12 -","1","0.5","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","1.54178","CuKα","","0.1575","0.0806","","","0.199","0.2417","","","","","","0.923","","","","has coordinates,has disorder","276785","2022-07-22","22:08:22",""
"7130336","26.59","","26.59","","43.61","","90","","90","","120","","26702.6","","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C228 H264 N12 O66 Rh12 -","- C228 H264 N12 O66 Rh12 -","- C684 H792 N36 O198 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82653","synchrotron","","0.1042","0.0806","","","0.2688","0.297","","","","","","1.058","","","","has coordinates","276785","2022-07-22","22:08:23",""
"7130337","28.4941","0.0002","28.4941","0.0002","46.495","0.0005","90","","90","","120","","32692.4","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H168 N18 O72 Rh12 -","- C204 H168 N18 O72 Rh12 -","- C612 H504 N54 O216 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1821","0.1742","","","0.4732","0.5059","","","","","","2.486","","","","has coordinates","276785","2022-07-22","22:08:23",""
"7130338","33.9017","0.0002","33.9017","0.0002","23.6843","0.0007","90","","90","","120","","23574","0.7","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C234 H252 N24 O60 Rh12 -","- C234 H252 N24 O60 Rh12 -","- C702 H756 N72 O180 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1094","0.0806","","","0.2342","0.2602","","","","","","0.985","","","","has coordinates,has disorder","276785","2022-07-22","22:08:23",""
"7130339","29.1065","0.0005","29.1065","0.0005","56.2463","0.0009","90","","90","","120","","41267.2","1.2","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H120 N6 O66 Rh12 -","- C204 H120 N6 O66 Rh12 -","- C612 H360 N18 O198 Rh36 -","3","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.0864","0.0648","","","0.2102","0.2286","","","","","","1.029","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130340","31.163","","31.163","","69.154","","90","","90","","120","","58160.3","","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","het-Rh-MOP-1","","- C186 H150 N18 O54 Rh12 -","- C186 H150 N18 O54 Rh12 -","- C1116 H900 N108 O324 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1108","0.1002","","","0.3216","0.3418","","","","","","1.366","","","","has coordinates,has disorder","276785","2022-07-22","22:08:24",""
"7130341","31.6843","0.0005","31.6843","0.0005","72.349","0.002","90","","90","","120","","62900","2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C252 H252 N6 O72 Rh12 -","- C252 H252 N6 O72 Rh12 -","- C1512 H1512 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1354","0.1105","","","0.3237","0.3509","","","","","","1.245","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130342","31.48","0.005","31.48","0.005","72.39","0.005","90","","90","","120","","62127","15","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C204 H156 N6 O66 Rh12 -","- C204 H156 N6 O66 Rh12 -","- C1224 H936 N36 O396 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82653","synchrotron","","0.1717","0.1427","","","0.3901","0.4292","","","","","","1.567","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130343","22.9616","0.0005","27.9645","0.0004","29.9154","0.0004","87.892","0.002","68.779","0.002","77.069","0.002","17431.6","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C195 H115 N19 O67 Rh12 -","- C195 H115 N19 O67 Rh12 -","- C390 H230 N38 O134 Rh24 -","2","1","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.1379","0.1123","","","0.3103","0.3414","","","","","","1.17","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130344","31.4131","0.0002","31.4131","0.0002","72.4411","0.0002","90","","90","","120","","61906.6","0.6","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C204 H144 N6 O72 Rh12 -","- C204 H144 N6 O72 Rh12 -","- C1224 H864 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.124","0.1098","","","0.3219","0.3447","","","","","","1.343","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130345","20.10034","0.00007","21.47025","0.00006","23.37885","0.00008","99.5536","0.0003","109.206","0.0003","113.948","0.0007","8166.47","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C206 H182 N14 O68 Rh12 -","- C206 H180 N14 O68 Rh12 -","- C206 H180 N14 O68 Rh12 -","1","0.5","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.0823","0.0796","","","0.2431","0.2478","","","","","","1.043","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130346","31.2593","0.0003","31.2593","0.0003","73.3075","0.001","90","","90","","120","","62035.1","1.2","100","","100","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C216 H180 N6 O72 Rh12 -","- C216 H180 N6 O72 Rh12 -","- C1296 H1080 N36 O432 Rh72 -","6","0.166667","","Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel","Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers","Chemical Communications","2022","","","","","10.1039/D2CC03220A","","","0.82656","synchrotron","","0.0846","0.0695","","","0.2399","0.2525","","","","","","1.057","","","","has coordinates","276785","2022-07-22","22:08:24",""
"7130347","12.1814","0.0002","16.7246","0.0003","17.9169","0.0003","110.87","0.002","91.168","0.002","99.895","0.002","3346.74","0.11","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H68 N8 O10 -","- C74 H68 N8 O10 -","- C148 H136 N16 O20 -","2","1","","Meier, Dennis; Schoof, Benedikt; Wang, Jinhua; Li, Xuesong; Walz, Andreas; Huettig, Annette; Schlichting, Hartmut; Rosu, Frédéric; Gabelica, Valérie; Maurizot, Victor; Reichert, Joachim; Papageorgiou, Anthoula C.; Huc, Ivan; Barth, Johannes V.","Structural adaptations of electrosprayed aromatic oligoamide foldamers on Ag(111)","Chemical Communications","2022","","","","","10.1039/D2CC03286D","","","1.54178","CuKα","","0.0577","0.056","","","0.1585","0.1601","","","","","","1.041","","","","has coordinates,has disorder","276786","2022-07-22","22:09:56",""
"7130348","9.0827","0.0012","14.2076","0.0018","15.2875","0.0019","101.39","0.004","104.212","0.004","96.122","0.005","1849.6","0.4","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H35 N3 O2 -","- C52 H35 N3 O2 -","- C104 H70 N6 O4 -","2","1","","Kantarod, Kritchasorn; Soorukram, Darunee; Kuhakarn, Chutima; Surawatanawong, Panida; Wattanathana, Worawat; Reutrakul, Vichai; Leowanawat, Pawaret","Color-tunable emissive heptagon-embedded polycyclic aromatic dicarboximides","Chemical Communications","2022","","","","","10.1039/D2CC03461A","","x-ray","1.54178","CuKα","K-L~3~","0.0467","0.0426","","","0.1234","0.1274","","","","","","1.058","","","","has coordinates","276787","2022-07-22","22:10:19",""
"7130349","7.4069","0.0006","7.4069","0.0006","7.4069","0.0006","90","","90","","90","","406.36","0.06","296","2","296","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C8 I3 N6 Rb -","- C8 I3 N6 Rb -","- C8 I3 N6 Rb -","1","0.0208333","","Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu","Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I)","Chemical Communications","2022","","","","","10.1039/D2CC02673B","","","0.71073","MoKα","","0.0414","0.0362","","","0.094","0.0972","","","","","","1.201","","","","has coordinates","276788","2022-07-22","22:10:59",""
"7130350","48.9591","0.0006","6.8436","0.0001","9.8667","0.0001","90","","90","","90","","3305.9","0.07","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C35 H80 Br15 N10 Rb5 -","- C35 H80 Br15 N10 Rb5 -","- C70 H160 Br30 N20 Rb10 -","2","0.5","","Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu","Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I)","Chemical Communications","2022","","","","","10.1039/D2CC02673B","","","1.54178","CuKα","","0.0628","0.0611","","","0.1595","0.1617","","","","","","1.019","","","","has coordinates","276788","2022-07-22","22:10:59",""
"7130351","6.944","0.0001","6.944","0.0001","6.944","0.0001","90","","90","","90","","334.834","0.008","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12 Br3 Rb -","- C12 Br2.994 Rb -","- C12 Br2.994 Rb -","1","0.0208333","","Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu","Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I)","Chemical Communications","2022","","","","","10.1039/D2CC02673B","","","1.54178","CuKα","","0.0477","0.0446","","","0.1365","0.1422","","","","","","1.179","","","","has coordinates,has disorder","276788","2022-07-22","22:10:59",""
"7130352","10.5226","0.0003","16.551","0.0005","16.5994","0.0007","90","","104.632","0.001","90","","2797.19","0.17","132","2","132","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Ge N3 Si -","- C26 H47 Ge N3 Si -","- C104 H188 Ge4 N12 Si4 -","4","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0426","0.0317","","","0.0765","0.0816","","","","","","1.035","","","","has coordinates,has disorder","276789","2022-07-22","22:12:27",""
"7130353","12.4653","0.0005","9.4098","0.0004","11.5289","0.0005","90","","106.412","0.001","90","","1297.19","0.09","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N Si Sn -","- C11 H19 N Si Sn -","- C44 H76 N4 Si4 Sn4 -","4","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0182","0.017","","","0.0425","0.0433","","","","","","1.063","","","","has coordinates","276789","2022-07-22","22:12:27",""
"7130354","9.1997","0.0004","26.2141","0.001","10.2037","0.0004","90","","100.75","0.002","90","","2417.56","0.17","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Ge N O5 Si W -","- C20 H27 Ge N O5 Si W -","- C80 H108 Ge4 N4 O20 Si4 W4 -","4","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0299","0.022","","","0.0426","0.0453","","","","","","1.078","","","","has coordinates","276789","2022-07-22","22:12:27",""
"7130355","10.7347","0.0002","18.94","0.0004","17.5783","0.0004","90","","104.541","0.001","90","","3459.46","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N Pb Si -","- C15 H27 N Pb Si -","- C120 H216 N8 Pb8 Si8 -","8","2","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0218","0.0169","","","0.0336","0.0349","","","","","","1.026","","","","has coordinates","276789","2022-07-22","22:12:28",""
"7130356","9.0843","0.0002","15.3056","0.0004","10.2605","0.0003","90","","98.369","0.001","90","","1411.43","0.06","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H47 N3 Pb Si -","- C26 H47 N3 Pb Si -","- C52 H94 N6 Pb2 Si2 -","2","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0147","0.0134","","","0.029","0.0292","","","","","","0.868","","","","has coordinates","276789","2022-07-22","22:12:28",""
"7130357","9.0621","0.0002","15.2311","0.0003","10.2462","0.0002","90","","99.681","0.001","90","","1394.1","0.05","132","2","132","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H47 N3 Si Sn -","- C26 H47 N3 Si Sn -","- C52 H94 N6 Si2 Sn2 -","2","1","","Bischoff, Inga-Alexandra; Morgenstern, Bernd; Schäfer, André","Heavier N-heterocyclic half-sandwich tetrylenes","Chemical Communications","2022","","","","","10.1039/D2CC03107H","","","0.71073","MoKα","","0.0266","0.0226","","","0.0437","0.0454","","","","","","1.014","","","","has coordinates","276789","2022-07-22","22:12:28",""
"7130358","14.653","0.007","14.653","0.007","35.912","0.017","90","","90","","120","","6678","6","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C13.64 H25.22 N O15.67 Zr2 -","- C13.64 H25.22 N O15.6667 Zr2 -","- C122.76 H226.98 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130359","14.63","0.06","14.63","0.06","35.93","0.14","90","","90","","120","","6660","5","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C20.16 H29.79 N2.52 O12.19 Zr2 -","- C20.16 H29.79 N2.52 O12.1867 Zr2 -","- C181.44 H268.11 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130360","14.66","0.03","14.66","0.03","35.98","0.08","90","","90","","120","","6697","2","","","","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C23.96 H37.39 N2.52 O12.19 Zr2 -","- C23.96 H37.39 N2.52 O12.1867 Zr2 -","- C215.64 H336.51 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130361","14.62","0.06","14.62","0.06","35.67","0.15","90","","90","","120","","6603","5","","","298","","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C13.64 H22.22 As N O15.67 Zr2 -","- C13.64 H22.22 As N O15.6667 Zr2 -","- C122.76 H199.98 As9 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130362","14.6","0.03","14.6","0.03","35.81","0.07","90","","90","","120","","6611","2","","","298","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C19.26 H28.04 N2.52 O12.19 Zr2 -","- C19.26 H28.04 N2.52 O12.1867 Zr2 -","- C173.34 H252.36 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130363","14.714","0.005","14.714","0.005","36.044","0.012","90","","90","","120","","6758","4","","","","","","","","","","","see text","5","R 3 :H","R 3","146","","","","- C21.11 H31.69 N2.52 O12.19 Zr2 -","- C21.11 H31.69 N2.52 O12.1867 Zr2 -","- C189.99 H285.21 N22.68 O109.68 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130364","14.62","0.04","14.62","0.04","35.74","0.1","90","","90","","120","","6616","3","","","298","","","","","","","","see text","6","R 3 :H","R 3","146","","","","- C13.64 H24.22 As N O15.67 Zr2 -","- C13.64 H24.22 As N O15.6667 Zr2 -","- C122.76 H217.98 As9 N9 O141 Zr18 -","9","1","","Pournara, Anastasia D.; Rizogianni, Sofia; Evangelou, Dimitrios A.; Andreou, Evangelos K.; Armatas, Gerasimos S.; Manos, Manolis J.","Zr<sup>4+</sup>-terephthalate MOFs with 6-connected structures, highly efficient As(III/V) sorption and superhydrophobic properties.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03090j","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","276790","2022-07-22","22:16:27",""
"7130365","12.2666","0.0011","14.3343","0.0012","18.0514","0.0017","77.57","0.003","89.492","0.003","77.501","0.003","3023.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H81 Cl N2 O12 -","- C66 H81 Cl N2 O12 -","- C132 H162 Cl2 N4 O24 -","2","1","","Ma, Longtao; Tang, Ruowen; Zhou, Youjun; Bei, Jiali; Wang, Yang; Chen, Tingting; Ou, Changjin; Han, Ying; Yan, Chao-Guo; Yao, Yong","Pillar[5]arene-based [1]rotaxanes with salicylaldimine as the stopper: synthesis, characterization and application in the fluorescence turn-on sensing of Zn<sup>2+</sup> in water.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02893j","","","0.71073","MoKα","","0.1988","0.0937","","","0.2368","0.2989","","","","","","1.014","","","","has coordinates","276791","2022-07-22","22:17:48",""
"7130366","12.4109","0.0017","19.955","0.003","25.114","0.004","90","","96.541","0.004","90","","6179.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H77 Cl N2 O12 -","- C64 H77 Cl N2 O12 -","- C256 H308 Cl4 N8 O48 -","4","1","","Ma, Longtao; Tang, Ruowen; Zhou, Youjun; Bei, Jiali; Wang, Yang; Chen, Tingting; Ou, Changjin; Han, Ying; Yan, Chao-Guo; Yao, Yong","Pillar[5]arene-based [1]rotaxanes with salicylaldimine as the stopper: synthesis, characterization and application in the fluorescence turn-on sensing of Zn<sup>2+</sup> in water.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02893j","","","0.71073","MoKα","","0.2344","0.0881","","","0.221","0.2629","","","","","","0.961","","","","has coordinates","276791","2022-07-22","22:17:49",""
"7130367","4.7255","0.0001","22.4433","0.0007","10.8444","0.0003","90","","94.625","0.003","90","","1146.37","0.05","297.56","0.1","297.56","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Cl F3 O3 -","- C11 H6 Cl F3 O3 -","- C44 H24 Cl4 F12 O12 -","4","1","","Zhao, Shuwen; Cai, Xiaojia; Lu, Yuying; Hu, Jinhui; Xiong, Zhuang; Jin, Jingwei; Li, Yin; Wang, Honggen; Wu, Jia-Qiang","Cp*Ir(III) and Cp*Rh(III)-catalyzed annulation of salicylaldehydes with fluorinated vinyl tosylates.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02194c","","x-ray","1.54184","CuKα","","0.074","0.0654","","","0.1875","0.1968","","","","","","1.096","","","","has coordinates,has disorder","276792","2022-07-22","22:18:15",""
"7130368","13.9936","0.0007","44.882","0.002","21.8761","0.0012","90","","102.909","0.002","90","","13392.3","1.2","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C136.5 H172 Au F6 N O4 P3 Pt S2 -","- C98 H128 Au F6 N O4 P3 Pt S2 -","- C392 H512 Au4 F24 N4 O16 P12 Pt4 S8 -","4","1","","Hidalgo, Nereida; de la Cruz-Martinez, Felipe; Martín, M. Trinidad; Nicasio, M. Carmen; Campos, Jesús","A highly constrained cis-dihydride platinum complex trapped by cooperative gold/platinum dihydrogen activation","Chemical Communications","2022","","","","","10.1039/D2CC03089F","","","0.71073","MoKα","","0.1024","0.0967","","","0.2911","0.295","","","","","","1.558","","","","has coordinates","276793","2022-07-22","22:19:15",""
"7130369","13.5057","0.0006","15.9591","0.0007","26.6862","0.0009","83.099","0.001","86.733","0.001","71.238","0.002","5405.8","0.4","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H147 Au F6 N O2 P3 Pt S2 -","- C107 H143 Au P3 Pt -","- C214 H286 Au2 P6 Pt2 -","2","1","","Hidalgo, Nereida; de la Cruz-Martinez, Felipe; Martín, M. Trinidad; Nicasio, M. Carmen; Campos, Jesús","A highly constrained cis-dihydride platinum complex trapped by cooperative gold/platinum dihydrogen activation","Chemical Communications","2022","","","","","10.1039/D2CC03089F","","","0.71073","MoKα","","0.0413","0.0291","","","0.0668","0.0739","","","","","","1.047","","","","has coordinates","276793","2022-07-22","22:19:16",""
"7130370","8.4965","0.0007","20.5064","0.0018","10.5561","0.0009","90","","98.9","0.003","90","","1817.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-cyanopyridinium periodate","","- C6 H5 I N2 O4 -","- C6 H5 I N2 O4 -","- C48 H40 I8 N16 O32 -","8","2","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts","Chemical Communications","2022","","","","","10.1039/D2CC03191D","","","0.71073","MoKα","","0.0548","0.0289","","","0.0577","0.065","","","","","","1.033","","","","has coordinates","276794","2022-07-22","22:20:16",""
"7130371","5.5924","0.0002","16.763","0.0006","10.0824","0.0004","90","","102.879","0.002","90","","921.4","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-carboxypyridinium periodate","","- C6 H6 I N O6 -","- C6 H6 I N O6 -","- C24 H24 I4 N4 O24 -","4","1","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts","Chemical Communications","2022","","","","","10.1039/D2CC03191D","","","0.71073","MoKα","","0.0456","0.0252","","","0.0895","0.1153","","","","","","0.867","","","","has coordinates","276794","2022-07-22","22:20:17",""
"7130372","5.6795","0.0004","19.8304","0.0014","8.0659","0.0006","90","","99.643","0.002","90","","895.6","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-nitropyridinium periodate","","- C5 H5 I N2 O6 -","- C5 H5 I N2 O6 -","- C20 H20 I4 N8 O24 -","4","1","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts","Chemical Communications","2022","","","","","10.1039/D2CC03191D","","","0.71073","MoKα","","0.0241","0.0208","","","0.0467","0.0479","","","","","","1.076","","","","has coordinates","276794","2022-07-22","22:20:17",""
"7130373","5.5213","0.0008","36.592","0.005","8.1602","0.0011","90","","106.381","0.006","90","","1581.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-fluoropyridinium periodate","","- C5 H5 F I N O4 -","- C5 H5 F I N O4 -","- C40 H40 F8 I8 N8 O32 -","8","2","","Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe","Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts","Chemical Communications","2022","","","","","10.1039/D2CC03191D","","","0.71073","MoKα","","0.0396","0.0342","","","0.0706","0.0723","","","","","","1.176","","","","has coordinates","276794","2022-07-22","22:20:17",""
"7130374","12.6152","0.001","17.6943","0.0014","13.8941","0.001","90","","90.118","0.002","90","","3101.4","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 B2 N O2 -","- C41 H31 B2 N O2 -","- C164 H124 B8 N4 O8 -","4","1","","Chan, Chin-Yiu; Suresh, Subeesh Madayanad; Lee, Yi-Ting; Tsuchiya, Youichi; Matulaitis, Tomas; Hall, David; Slawin, Alexandra; Warriner, Stuart; Beljonne, David; Olivier, Yoann; Adachi, Chihaya; Zysman-Colman, Eli","Two Boron Atoms versus One: High-performance Deep-blue Multi-resonance Thermally Activated Delayed Fluorescence Emitters","Chemical Communications","2022","","","","","10.1039/D2CC03347J","","","0.71075","MoKα","","0.0486","0.0422","","","0.1251","0.1305","","","","","","1.086","","","","has coordinates","276795","2022-07-22","22:21:06",""
"7130375","12.472","0.006","27.025","0.01","19.685","0.009","90","","103.424","0.01","90","","6454","5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 B N O2 -","- C41 H34 B N O2 -","- C328 H272 B8 N8 O16 -","8","2","","Chan, Chin-Yiu; Suresh, Subeesh Madayanad; Lee, Yi-Ting; Tsuchiya, Youichi; Matulaitis, Tomas; Hall, David; Slawin, Alexandra; Warriner, Stuart; Beljonne, David; Olivier, Yoann; Adachi, Chihaya; Zysman-Colman, Eli","Two Boron Atoms versus One: High-performance Deep-blue Multi-resonance Thermally Activated Delayed Fluorescence Emitters","Chemical Communications","2022","","","","","10.1039/D2CC03347J","","","0.71075","MoKα","","0.2529","0.0908","","","0.194","0.2799","","","","","","0.95","","","","has coordinates","276795","2022-07-22","22:21:07",""
"7130376","13.7","0.0008","24.3133","0.0011","19.1731","0.0008","90","","93.799","0.005","90","","6372.4","0.5","100","0.3","100","0.3","","","","","","","","8","C 1 c 1","C -2yc","9","","4CZCNPyPzAgP(Ph)2CH3","","- C77 H53 Ag B Cl2 F4 N8 P -","- C77 H53 Ag B Cl2 F4 N8 P -","- C308 H212 Ag4 B4 Cl8 F16 N32 P4 -","4","1","","Cai, Xian-Bao; Liang, Dong; Yang, Mingxue; Wu, Xiao-Yuan; Lu, Can-Zhong; Yu, Rongmin","Efficiently increasing the radiative rate of TADF material with metal coordination.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02930h","","x-ray","0.71073","MoKα","","0.0673","0.0575","","","0.1362","0.15","","","","","","1.062","","","","has coordinates","276796","2022-07-22","22:21:48",""
"7130377","15.3086","0.0005","11.2453","0.0004","26.5143","0.001","90","","93.018","0.003","90","","4558.1","0.3","100","0.13","100","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4CzPN-PyPz","","- C63 H38 N8 -","- C63 H38 N8 -","- C252 H152 N32 -","4","1","","Cai, Xian-Bao; Liang, Dong; Yang, Mingxue; Wu, Xiao-Yuan; Lu, Can-Zhong; Yu, Rongmin","Efficiently increasing the radiative rate of TADF material with metal coordination.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02930h","","x-ray","1.54184","CuKα","","0.0499","0.0416","","","0.1044","0.111","","","","","","1.047","","","","has coordinates","276796","2022-07-22","22:21:48",""
"7130378","7.8741","0.0001","11.4742","0.0002","10.7498","0.0002","90","","100.649","0.002","90","","954.51","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B N3 O2 -","- C20 H30 B N3 O2 -","- C40 H60 B2 N6 O4 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0407","0.0392","","","0.1025","0.1049","","","","","","1.11","","","","has coordinates","276909","2022-07-23","22:06:05",""
"7130379","18.7204","0.0002","10.8134","0.0001","18.6892","0.0002","90","","90","","90","","3783.28","0.07","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H30 Al B F15 N3 O2 -","- C38 H30 Al B F15 N3 O2 -","- C152 H120 Al4 B4 F60 N12 O8 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0244","0.0241","","","0.0622","0.0624","","","","","","1.036","","","","has coordinates","276909","2022-07-23","22:06:06",""
"7130380","9.6186","0.0004","11.4262","0.0006","11.671","0.0006","64.789","0.005","72.278","0.004","76.763","0.004","1098.07","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 B F3 N3 O3 S -","- C20 H31 B F3 N3 O3 S -","- C40 H62 B2 F6 N6 O6 S2 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.042","0.0387","","","0.1036","0.106","","","","","","1.102","","","","has coordinates","276909","2022-07-23","22:06:06",""
"7130381","18.1111","0.0001","19.7951","0.0001","21.8934","0.0001","90","","90","","90","","7849.03","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H33 B2 F15 N3 O2 -","- C41 H33 B2 F15 N3 O2 -","- C328 H264 B16 F120 N24 O16 -","8","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0329","0.0307","","","0.0799","0.0816","","","","","","1.034","","","","has coordinates,has disorder","276909","2022-07-23","22:06:06",""
"7130382","8.02498","0.00014","12.9384","0.0003","17.0652","0.0003","86.1005","0.0017","80.4534","0.0015","80.8641","0.0017","1723.6","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H45 B F3 N3 O5 S Si -","- C30 H45 B F3 N3 O5 S Si -","- C60 H90 B2 F6 N6 O10 S2 Si2 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0392","0.036","","","0.0958","0.0979","","","","","","1.085","","","","has coordinates","276909","2022-07-23","22:06:06",""
"7130383","8.1513","0.0001","12.7879","0.0002","15.9378","0.0003","70.103","0.001","80.363","0.001","89.392","0.001","1538.18","0.04","99.9","0.4","99.9","0.4","","","","","","","","8","P -1","-P 1","2","","","","- C25 H32.5 B Cl0.5 F6 N3 O7 S2 -","- C25 H32.5 B Cl0.5 F6 N3 O7 S2 -","- C50 H65 B2 Cl F12 N6 O14 S4 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54184","CuKα","","0.0474","0.039","","","0.0973","0.1013","","","","","","1.061","","","","has coordinates,has disorder","276909","2022-07-23","22:06:06",""
"7130384","12.9661","0.0001","13.2799","0.0002","15.5932","0.0002","74.551","0.001","83.647","0.001","75.353","0.001","2501.15","0.06","100","0.3","100","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C43 H62 B2 Cl2 F6 N6 O9 S2 -","- C43 H62 B2 Cl2 F6 N6 O9 S2 -","- C86 H124 B4 Cl4 F12 N12 O18 S4 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54184","CuKα","","0.0371","0.0342","","","0.089","0.0913","","","","","","0.949","","","","has coordinates","276909","2022-07-23","22:06:07",""
"7130385","8.7942","0.0002","13.2589","0.0002","18.7602","0.0003","90.241","0.001","101.395","0.002","90.355","0.002","2144.27","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H54 B F6 N3 O8 P S2 -","- C37 H54 B F6 N3 O8 P S2 -","- C74 H108 B2 F12 N6 O16 P2 S4 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0461","0.0377","","","0.0942","0.0985","","","","","","1.046","","","","has coordinates,has disorder","276909","2022-07-23","22:06:07",""
"7130386","18.3096","0.0001","26.0399","0.0003","27.5573","0.0003","90","","90","","90","","13138.8","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C59 H33 Al2 B F30 N3 O2 -","- C59 H33 Al2 B F30 N3 O2 -","- C472 H264 Al16 B8 F240 N24 O16 -","8","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.1268","0.1077","","","0.3191","0.3396","","","","","","1.01","","","","has coordinates","276909","2022-07-23","22:06:07",""
"7130387","14.715","0.003","7.085","0.0014","21.523","0.004","90","","107.03","0.03","90","","2145.5","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 I O5 S -","- C20 H29 I O5 S -","- C80 H116 I4 O20 S4 -","4","1","","He, Jiaxin; Zhang, Jingran; Li, Xuemin; Shi, Haofeng; Du, Yunfei","Aryl iodine-catalysed divergent synthesis of isobenzofuranones and isocoumarins via oxidative 1,2-aryl migration/elimination","Chemical Communications","2022","","","","","10.1039/D2CC03101A","","","0.71073","MoKα","","0.068","0.0512","","","0.1277","0.1382","","","","","","1.063","","","","has coordinates,has disorder","276921","2022-07-25","21:52:46",""
"7130388","5.4454","0.0003","10.6284","0.0007","7.0024","0.0004","90","","90","","90","","405.27","0.04","297.15","","297.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B F H3 K O3 -","- B F H3 K O3 -","- B4 F4 H12 K4 O12 -","4","0.5","","Li, Yang; Chen, Xinglong; Ok, Kang Min","KF·B(OH)3: a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency","Chemical Communications","2022","","","","","10.1039/D2CC03495F","","","0.71073","MoKα","","0.0262","0.0236","","","0.0546","0.0556","","","","","","1.297","","","","has coordinates","276922","2022-07-25","21:53:16",""
"7130389","18.631","0.0002","12.8546","0.0002","25.617","0.0003","90","","96.786","0.001","90","","6092.14","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H91 N O7 Ti -","- C53 H75 N O5 Ti -","- C212 H300 N4 O20 Ti4 -","4","1","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.0876","0.0764","","","0.2378","0.2561","","","","","","1.065","","","","has coordinates,has disorder","276923","2022-07-25","21:55:57",""
"7130390","19.8135","0.0004","22.9853","0.0004","23.1531","0.0004","90","","102.021","0.0017","90","","10313.1","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C94 H126 O14 Ti2 -","- C90 H110 O10 Ti2 -","- C360 H440 O40 Ti8 -","4","1","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.0842","0.0648","","","0.1852","0.2004","","","","","","1.052","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130391","12.0088","0.0004","12.1232","0.0004","18.4541","0.0005","80.451","0.003","76.371","0.003","65.491","0.003","2368.67","0.14","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H136 O16 Ti4 -","- C100 H136 O16 Ti4 -","- C100 H136 O16 Ti4 -","1","0.5","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.0765","0.0541","","","0.1381","0.1519","","","","","","1.074","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130392","12.377","0.0001","12.6781","0.0002","19.3873","0.0002","90.57","0.001","105.973","0.001","114.514","0.001","2634.17","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H142 N2 O16 Ti4 -","- C106 H142 N2 O16 Ti4 -","- C106 H142 N2 O16 Ti4 -","1","0.5","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.0665","0.0537","","","0.1498","0.1568","","","","","","1.073","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130393","15.0667","0.0007","16.2142","0.0008","21.1278","0.0005","98.67","0.003","102.662","0.004","101.765","0.004","4825.8","0.4","149.98","0.11","149.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C100 H132 O14 Ti4 -","- C100 H132 O14 Ti4 -","- C200 H264 O28 Ti8 -","2","1","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.1302","0.0707","","","0.1706","0.195","","","","","","0.957","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130394","33.158","0.0013","33.158","0.0013","31.9101","0.0017","90","","90","","120","","30383","2","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C370 H456 N20 O60 Ti12 -","- C358 H437.999 N14 O60 Ti12 -","- C1074 H1314 N42 O180 Ti36 -","3","0.166667","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","0.71073","MoKα","","0.1211","0.0733","","","0.1856","0.2075","","","","","","0.977","","","","has coordinates,has disorder","276923","2022-07-25","21:55:58",""
"7130395","24.2214","0.0006","21.6454","0.0004","42.7779","0.0008","90","","97.417","0.002","90","","22240","0.8","149.99","0.11","149.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C443 H533 N40 O60 Ti12 -","- C399 H467 N18 O60 Ti12 -","- C798 H934 N36 O120 Ti24 -","2","0.5","","Tian, Yi-Qi; Cui, Yun-Shu; Zhu, Jia-Hui; Xu, Cong-Qiao; Yi, Xiao-Yi; Li, Jun; Liu, Chao","Ancillary ligand-regulated Ti(iv)-based metallocalixarene coordination cages for photocatalytic H2 evolution","Chemical Communications","2022","","","","","10.1039/D2CC03131K","","x-ray","1.54184","CuKα","","0.1249","0.1058","","","0.3227","0.3413","","","","","","1.267","","","","has coordinates,has disorder","276923","2022-07-25","21:55:59",""
"7130396","20.813","0.002","4.3839","0.0003","17.693","0.002","90","","93.952","0.01","90","","1610.5","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uranyl 2,6-bis(pyrazol-1-yl)pyridine-4-carboxylate","","","- C13 H13.5 N5.5 O5.5 U -","- C13 H13.5 N5.5 O5.5 U -","- C52 H54 N22 O22 U4 -","4","1","","Xu, Miaomiao; Lu, Huangjie; Wang, Chunhui; Qiu, Jie; Zheng, Zhaofa; Guo, Xiaofeng; Zhang, Zhi-Hui; He, Mingyang; Qian, Junfeng; Lin, Jian","Enhancing photosensitivity via assembly of a uranyl coordination polymer","Chemical Communications","2022","","","","","10.1039/D2CC02985E","","x-ray","0.71073","MoKα","","0.0753","0.0605","","","0.1434","0.1578","","","","","","1.118","","","","has coordinates,has disorder","276924","2022-07-25","21:58:15",""
"7130397","11.7222","0.001","12.5328","0.0011","9.6047","0.0008","90","","90","","90","","1411","0.2","296","2","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H36 Br7 In N4 O2 -","- C12 H36 Br7 In N4 O2 -","- C24 H72 Br14 In2 N8 O4 -","2","0.5","","Li, Dong-Yang; Sun, Yu-Ming; Xu, Zi-Yan; Xiao, Pan-Chao; Song, Jun-Hua; Lei, Xiao-Wu; Chen, Guang; Yue, Cheng-Yang","0D hybrid indium halides with highly efficient intrinsic broadband light emissions","Chemical Communications","2022","","","","","10.1039/D2CC02148J","","","0.71073","MoKα","","0.0361","0.0272","","","0.0525","0.0544","","","","","","0.95","","","","has coordinates","276925","2022-07-25","21:58:51",""
"7130398","12.1","0.016","9.328","0.012","11.533","0.015","90","","90","","90","","1302","3","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H30 Cl7 In N4 O3 -","- C12 H30 Cl7 In N4 O3 -","- C24 H60 Cl14 In2 N8 O6 -","2","0.5","","Li, Dong-Yang; Sun, Yu-Ming; Xu, Zi-Yan; Xiao, Pan-Chao; Song, Jun-Hua; Lei, Xiao-Wu; Chen, Guang; Yue, Cheng-Yang","0D hybrid indium halides with highly efficient intrinsic broadband light emissions","Chemical Communications","2022","","","","","10.1039/D2CC02148J","","","0.71073","MoKα","","0.0435","0.0389","","","0.102","0.1117","","","","","","0.9901","","","","has coordinates","276925","2022-07-25","21:58:52",""
"7130399","22.823","0.002","26.037","0.002","16.7292","0.0015","90","","103.336","0.002","90","","9673.1","1.4","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H141 I6 N24 O8 P8 U2 -","- C48 H144 I6 N24 O8 P8 U2 -","- C192 H576 I24 N96 O32 P32 U8 -","4","1","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Miró, Pere; Metta-Magaña, Alejandro; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: 2. A neutral uranium bis(anthracenide) sandwich complex and elucidation of its electronic structure","Chemical Communications","2022","","","","","10.1039/D2CC03238D","","","0.71073","MoKα","","0.0403","0.0368","","","0.0915","0.0935","","","","","","1.042","","","","has coordinates","276941","2022-07-26","21:50:31",""
"7130400","11.1073","0.0017","12.4112","0.0019","17.777","0.003","89.209","0.002","73.34","0.002","67.677","0.002","2159.3","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H65 N6 O3 P2 U -","- C44 H65 N6 O3 P2 U -","- C88 H130 N12 O6 P4 U2 -","2","1","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Miró, Pere; Metta-Magaña, Alejandro; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: 2. A neutral uranium bis(anthracenide) sandwich complex and elucidation of its electronic structure","Chemical Communications","2022","","","","","10.1039/D2CC03238D","","x-ray","0.71073","MoKα","","0.0412","0.0324","","","0.0686","0.0734","","","","","","1.03","","","","has coordinates","276941","2022-07-26","21:50:32",""
"7130401","10.3829","0.0007","20.2202","0.0016","19.4228","0.0013","90","","91.291","0.002","90","","4076.7","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H121 N6 O6 P2 U2 -","- C90 H121 N6 O6 P2 U2 -","- C180 H242 N12 O12 P4 U4 -","2","0.5","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Miró, Pere; Metta-Magaña, Alejandro; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: 2. A neutral uranium bis(anthracenide) sandwich complex and elucidation of its electronic structure","Chemical Communications","2022","","","","","10.1039/D2CC03238D","","x-ray","0.71073","MoKα","","0.1196","0.0742","","","0.1333","0.1488","","","","","","1.15","","","","has coordinates,has disorder","276941","2022-07-26","21:50:34",""
"7130402","25.4003","0.0003","25.4003","0.0003","25.4003","0.0003","90","","90","","90","","16387.6","0.3","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H54 N24 Ni8 O6 -","- C72 H54 N24 Ni8 O6 -","- C288 H216 N96 Ni32 O24 -","4","0.0208333","","Freund, Ralph; Kalytta-Mewes, Andreas; Kraft, Maryana; Volkmer, Dirk","Anionic or neutral? The charge of Ni8 cubes in metal-organic framework compounds.","Chemical Communications","2022","","","","","10.1039/D2CC03016K","","","0.71073","MoKα","","0.0269","0.0215","","","0.0582","0.0616","","","","","","1.06","","","","has coordinates,has disorder","276942","2022-07-26","21:52:46",""
"7130403","25.3948","0.0005","25.3948","0.0005","25.3948","0.0005","90","","90","","90","","16377","0.6","150","2","150","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H54 Cs1.76 N24 Ni8 O6 -","- C72 H54 Cs1.752 N24 Ni8 O6 -","- C288 H216 Cs7.008 N96 Ni32 O24 -","4","0.0208333","","Freund, Ralph; Kalytta-Mewes, Andreas; Kraft, Maryana; Volkmer, Dirk","Anionic or neutral? The charge of Ni8 cubes in metal-organic framework compounds.","Chemical Communications","2022","","","","","10.1039/D2CC03016K","","","0.71073","MoKα","","0.0601","0.0457","","","0.1342","0.1428","","","","","","1.072","","","","has coordinates,has disorder","276942","2022-07-26","21:52:47",""
"7130404","25.4123","0.0005","25.4123","0.0005","25.4123","0.0005","90","","90","","90","","16410.9","0.6","150","2","150","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H54 Cs1.27 N24 Ni8 O6 -","- C72 H54 Cs1.2744 N24 Ni8 O6 -","- C288 H216 Cs5.0976 N96 Ni32 O24 -","4","0.0208333","","Freund, Ralph; Kalytta-Mewes, Andreas; Kraft, Maryana; Volkmer, Dirk","Anionic or neutral? The charge of Ni8 cubes in metal-organic framework compounds.","Chemical Communications","2022","","","","","10.1039/D2CC03016K","","","0.71073","MoKα","","0.0425","0.0388","","","0.1272","0.1306","","","","","","1.105","","","","has coordinates,has disorder","276942","2022-07-26","21:52:47",""
"7130405","25.3036","0.0011","25.3036","0.0011","25.3036","0.0011","90","","90","","90","","16201.2","1.2","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H54 N24 Ni8 O6 -","- C72 H54 N24 Ni8 O6 -","- C288 H216 N96 Ni32 O24 -","4","0.0208333","","Freund, Ralph; Kalytta-Mewes, Andreas; Kraft, Maryana; Volkmer, Dirk","Anionic or neutral? The charge of Ni8 cubes in metal-organic framework compounds.","Chemical Communications","2022","","","","","10.1039/D2CC03016K","","","0.71073","MoKα","","0.0308","0.0214","","","0.0551","0.0629","","","","","","1.122","","","","has coordinates,has disorder","276942","2022-07-26","21:52:47",""
"7130406","8.087","0.002","11.905","0.003","28.081","0.007","90","","90","","90","","2703.5","1.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 F6 N3 P -","- C31 H22 F6 N3 P -","- C124 H88 F24 N12 P4 -","4","1","","Xu, Chao; Zhang, Zhensheng; Liu, Tao; Zhang, Wangqin; Zhong, Weihui; Ling, Fei","Hydrogen Evolution Enabled Rhodaelectro-Catalyzed [4+2] Annulations of Purines and 7-Deazapurines with Alkynes","Chemical Communications","2022","","","","","10.1039/D2CC03625H","","x-ray","0.71073","MoKα","","0.1526","0.1275","","","0.3305","0.3474","","","","","","1.171","","","","has coordinates","276943","2022-07-26","21:53:26",""
"7130407","4.1768","0.0008","11.513","0.002","15.476","0.003","78.42","0.03","86.37","0.03","86.54","0.03","726.7","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I N2 O3 -","- C14 H13 I N2 O3 -","- C28 H26 I2 N4 O6 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","","1.54178","CuKα","","0.049","0.0479","","","0.1244","0.1257","","","","","","1.06","","","","has coordinates","276944","2022-07-26","21:55:22",""
"7130408","4.35","0.0001","11.5717","0.0002","15.4381","0.0003","78.041","0.002","88.92","0.002","87.755","0.002","759.61","0.03","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl I N2 O3 -","- C14 H12 Cl I N2 O3 -","- C28 H24 Cl2 I2 N4 O6 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","x-ray","1.54184","CuKα","","0.024","0.0228","","","0.0609","0.0615","","","","","","1.102","","","","has coordinates","276944","2022-07-26","21:55:23",""
"7130409","15.6069","0.0006","4.7766","0.0002","22.7736","0.0008","90","","92.088","0.003","90","","1696.6","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 I N2 O3 -","- C16 H17 I N2 O3 -","- C64 H68 I4 N8 O12 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","","1.54178","CuKα","","0.0702","0.0497","","","0.1418","0.155","","","","","","1.11","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130410","14.2075","0.0008","4.9292","0.0003","22.1266","0.0012","90","","90.025","0.002","90","","1549.56","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 I N2 O3 -","- C15 H15 I N2 O3 -","- C60 H60 I4 N8 O12 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","","1.54178","CuKα","","0.0437","0.0402","","","0.1044","0.1075","","","","","","1.053","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130411","34.113","0.003","4.0412","0.0003","28.573","0.002","90","","124.614","0.003","90","","3241.8","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cl I N2 O3 -","- C15 H14 Cl I N2 O3 -","- C120 H112 Cl8 I8 N16 O24 -","8","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","","1.54178","CuKα","","0.0713","0.0668","","","0.1711","0.1737","","","","","","1.17","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130412","4.5288","0.0002","12.8682","0.0004","15.284","0.0004","97.439","0.002","94.401","0.003","93.065","0.003","878.8","0.05","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 I N2 O3 -","- C17 H19 I N2 O3 -","- C34 H38 I2 N4 O6 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","x-ray","1.54184","CuKα","","0.0454","0.0391","","","0.105","0.1082","","","","","","1.076","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130413","4.7003","0.0003","12.7927","0.0005","14.1635","0.0006","97.664","0.003","93.157","0.005","91.561","0.004","842.24","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Br N2 O3 -","- C17 H19 Br N2 O3 -","- C34 H38 Br2 N4 O6 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","x-ray","1.54184","CuKα","","0.0584","0.056","","","0.154","0.1568","","","","","","1.106","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130414","7.4358","0.0002","10.5039","0.0002","11.7955","0.0003","69.373","0.001","82.684","0.002","73.631","0.002","826.87","0.04","200","2","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 I N2 O3 -","- C16 H17 I N2 O3 -","- C32 H34 I2 N4 O6 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","","1.54178","CuKα","","0.0414","0.0387","","","0.0894","0.0911","","","","","","1.05","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130415","14.0457","0.0006","4.9964","0.0003","21.3687","0.0007","90","","90.928","0.003","90","","1499.41","0.12","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C60 H60 Br4 N8 O12 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","x-ray","1.54184","CuKα","","0.0632","0.0441","","","0.1129","0.13","","","","","","1.022","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130416","15.3651","0.0002","4.47304","0.00005","21.7942","0.0003","90","","106.213","0.0014","90","","1438.32","0.03","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N2 O3 -","- C15 H15 Cl N2 O3 -","- C60 H60 Cl4 N8 O12 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","Evaluating structure-property relationship in a new family of mechanically flexible co-crystals","Chemical Communications","2022","","","","","10.1039/D2CC02047E","","x-ray","1.54184","CuKα","","0.0363","0.0346","","","0.101","0.1024","","","","","","1.085","","","","has coordinates","276944","2022-07-26","21:55:24",""
"7130417","9.537","0.003","19.937","0.003","9.6171","0.0019","90","","95.72","0.03","90","","1819.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Samanta, Apurba; Pramanik, Shyamal; Mondal, Subhashis; Maity, Soumitra","Zinc acetate-promoted blocking of the ATRA process with alkyl halides enabling photochemical alkylamination of olefins.","Chemical communications (Cambridge, England)","2022","58","60","8400","8403","10.1039/d2cc02574d","","","0.71073","MoKα","","0.0967","0.0544","","","0.1459","0.1633","","","","","","1.077","","","","has coordinates","276945","2022-07-26","21:56:24",""
"7130418","18.0493","0.001","8.6789","0.0006","16.1121","0.0011","90","","90","","90","","2523.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Qi, Hongbo; Zhao, Yupeng; Li, Wencong; Chen, Shufeng","Synthesis of 1,4-benzoxazines via Y(OTf)3-catalyzed ring opening/annulation cascade reaction of benzoxazoles with propargylic alcohols","Chemical Communications","2022","","","","","10.1039/D2CC03080B","","x-ray","0.71073","MoKα","","0.0935","0.072","","","0.1479","0.1564","","","","","","1.164","","","","has coordinates","276946","2022-07-26","21:56:57",""
"7130419","9.6932","0.0005","10.1353","0.0005","18.2929","0.0008","90","","108.155","0.003","90","","1707.69","0.15","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Qi, Hongbo; Zhao, Yupeng; Li, Wencong; Chen, Shufeng","Synthesis of 1,4-benzoxazines via Y(OTf)3-catalyzed ring opening/annulation cascade reaction of benzoxazoles with propargylic alcohols","Chemical Communications","2022","","","","","10.1039/D2CC03080B","","","0.71073","MoKα","","0.0642","0.0466","","","0.112","0.1235","","","","","","1.02","","","","has coordinates","276946","2022-07-26","21:56:58",""
"7130420","21.1543","0.0005","14.2842","0.0003","30.5779","0.0007","90","","105.722","0.002","90","","8894.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 F3 N2 O3 -","- C16 H9 F3 N2 O3 -","- C384 H216 F72 N48 O72 -","24","3","","Chen, Leijing; Wang, Zhen; Liu, Hui; Li, Xinyue; Wang, Bin","tert-Butyl nitrite triggered radical cascade reaction for synthesizing isoxazoles by a one-pot multicomponent strategy","Chemical Communications","2022","","","","","10.1039/D2CC02823A","","x-ray","1.54184","CuKα","","0.09","0.0703","","","0.1927","0.2115","","","","","","1.073","","","","has coordinates","276963","2022-07-27","21:49:40",""
"7130421","17.796","0.003","5.2354","0.0007","25.302","0.004","90","","98.005","0.005","90","","2334.4","0.6","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C55 H54 N6 -","- C55 H54 N6 -","- C110 H108 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.1554","0.076","","","0.1619","0.2165","","","","","","1.064","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130422","17.7147","0.0011","5.4402","0.0003","25.128","0.0015","90","","97.604","0.003","90","","2400.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl2 N6 -","- C56 H56 Cl2 N6 -","- C112 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.1209","0.059","","","0.1191","0.153","","","","","","1.06","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130423","17.7583","0.0019","5.3589","0.0006","25.148","0.003","90","","97.803","0.004","90","","2371","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H56 Cl2 N6 -","- C55 H56 Cl2 N6 -","- C110 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.2071","0.0934","","","0.1769","0.2273","","","","","","1.007","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130424","17.7194","0.0016","5.4334","0.0005","25.1","0.002","90","","97.674","0.004","90","","2394.9","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H56 Cl2 N6 -","- C56 H56 Cl2 N6 -","- C112 H112 Cl4 N12 -","2","1","","liu, xin; Alimi, Lukman; Khashab, Niveen M.","Highly selective molecular sieving of cis- over trans-1,2-dichloroethene isomers","Chemical Communications","2022","","","","","10.1039/D2CC03574J","","","0.71073","MoKα","","0.089","0.0476","","","0.1077","0.1391","","","","","","1.129","","","","has coordinates","276964","2022-07-27","21:50:29",""
"7130425","11.6666","0.0012","14.7352","0.0016","13.3183","0.0014","90","","105.646","0.002","90","","2204.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 6","UVX1 Phenol","","- C21 H34 N2 O2 Si -","- C21 H34 N2 O2 Si -","- C84 H136 N8 O8 Si4 -","4","1","","Steffann, Marine; Tisseraud, Marion; Bluet, Guillaume; Roy, Sebastien; Aubert, Catherine; Fouquet, Eric; Hermange, Philippe","Last-step 18F-fluorination of supported 2-(aryl-di-tert-butylsilyl)-N-methyl-imidazole conjugates for applications in positron emission tomography","Chemical Communications","2022","","","","","10.1039/D2CC03258A","","","0.71073","MoKα","","0.0935","0.0565","","","0.1355","0.1573","","","","","","1.029","","","","has coordinates","276965","2022-07-27","21:51:00",""
"7130426","6.5708","0.0005","7.9441","0.0006","17.2086","0.0014","100.632","0.002","93.802","0.002","96.173","0.002","874.32","0.12","111","2","111","2","","","","","","","","5","P -1","-P 1","2","INORGANIC","","","- C30 H42 Cu2 N6 O16 -","- C30 H42 Cu2 N6 O16 -","- C30 H42 Cu2 N6 O16 -","1","0.5","","Debnath, Snehasish; Nair, Ratish R.; Ghosh, Riya; Kiranmai, Gaddam; Radhakishan, Narsini; Nagesh, Narayana; Chatterjee, Pabitra B.","A unique water soluble probe for measuring the cardiac marker homocysteine and its clinical validation","Chemical Communications","2022","","","","","10.1039/D2CC01515C","","","0.71073","MoKα","","0.0246","0.0222","","","0.0588","0.0605","","","","","","1.055","","","","has coordinates","276966","2022-07-27","21:51:48",""
"7130427","7.9174","0.0003","8.2811","0.0003","11.2569","0.0005","73.486","0.001","72.566","0.001","83.895","0.002","674.92","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C30 H36 N4 O6 -","2","1","","Debnath, Snehasish; Nair, Ratish R.; Ghosh, Riya; Kiranmai, Gaddam; Radhakishan, Narsini; Nagesh, Narayana; Chatterjee, Pabitra B.","A unique water soluble probe for measuring the cardiac marker homocysteine and its clinical validation","Chemical Communications","2022","","","","","10.1039/D2CC01515C","","","0.71073","MoKα","","0.0441","0.0392","","","0.1096","0.1146","","","","","","1.04","","","","has coordinates","276966","2022-07-27","21:51:49",""
"7130428","24.1002","0.001","7.601","0.0003","6.9925","0.0003","90","","95.323","0.002","90","","1275.4","0.09","117","2","117","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Debnath, Snehasish; Nair, Ratish R.; Ghosh, Riya; Kiranmai, Gaddam; Radhakishan, Narsini; Nagesh, Narayana; Chatterjee, Pabitra B.","A unique water soluble probe for measuring the cardiac marker homocysteine and its clinical validation","Chemical Communications","2022","","","","","10.1039/D2CC01515C","","","0.71073","MoKα","","0.0984","0.0687","","","0.1764","0.196","","","","","","1.088","","","","has coordinates","276966","2022-07-27","21:51:49",""
"7130429","11.661","0.002","24.12","0.005","10.644","0.002","90","","103.846","0.013","90","","2906.8","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ORGANIC","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Debnath, Snehasish; Nair, Ratish R.; Ghosh, Riya; Kiranmai, Gaddam; Radhakishan, Narsini; Nagesh, Narayana; Chatterjee, Pabitra B.","A unique water soluble probe for measuring the cardiac marker homocysteine and its clinical validation","Chemical Communications","2022","","","","","10.1039/D2CC01515C","","","0.71073","MoKα","","0.0428","0.0393","","","0.1088","0.1122","","","","","","1.036","","","","has coordinates","276966","2022-07-27","21:51:49",""
"7130430","25.6844","0.0003","27.1429","0.0002","36.546","0.0004","90","","91.7718","0.0009","90","","25465.8","0.4","99.9","0.3","99.9","0.3","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C398 H542 Ag50 F36 N18 O74 S32 V10 -","- C360 H472 Ag50 F24 N8 O56 S32 V10 -","- C720 H944 Ag100 F48 N16 O112 S64 V20 -","2","0.5","","Li, Li; Zhu, Yanjie; Han, Baoliang; Wang, Qiongyi; Zheng, Luming; Feng, Lei; Sun, Di; Wang, Zhi","A classical [V10O28]6− anion templated high-nuclearity silver thiolate cluster","Chemical Communications","2022","","","","","10.1039/D2CC03003A","","x-ray","1.54184","CuKα","","0.1575","0.1448","","","0.3506","0.3593","","","","","","1.029","","","","has coordinates,has disorder","276976","2022-07-28","21:52:12",""
"7130431","9.508","0.0005","12.3736","0.0006","20.7192","0.0011","90","","90","","90","","2437.6","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H19 Br N3 O4 -","- C28 H19 Br N2 O4 -","- C112 H76 Br4 N8 O16 -","4","1","","Wang, Baomin; Wei, Xingfu; Huang, Yue; Wang, Wenyao; Wei, Shiqiang; Qu, Jingping","Asymmetric [3 + 2] spiroannulation of pyrazolone-derived Morita–Baylis–Hillman carbonates with alkynyl ketones: facile access to spiro[cyclopentadiene-pyrazolone] scaffolds","Chemical Communications","2022","","","","","10.1039/D2CC02963D","","","0.71073","MoKα","","0.0963","0.0581","","","0.1227","0.1405","","","","","","1.096","","","","has coordinates","276977","2022-07-28","21:52:44",""
"7130432","9.8117","0.0008","9.8216","0.0007","10.5478","0.0008","76.027","0.006","74.128","0.007","60.531","0.008","844.24","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","diethyl (S)-(3-oxo-2-phenylindolin-2-yl)phosphonate","","- C18 H20 N O4 P -","- C18 H20 N O4 P -","- C36 H40 N2 O8 P2 -","2","1","","Zhou, Xingcui; Xiong, Ting; Jiang, Jun","Gold-catalyzed redox cycloisomerization/nucleophilic addition/reduction: direct access to 2-phosphoryl indolin-3-ones.","Chemical communications (Cambridge, England)","2022","58","61","8568","8571","10.1039/d2cc02774g","","x-ray","0.71073","MoKα","","0.0567","0.0483","","","0.1172","0.1239","","","","","","1.063","","","","has coordinates,has disorder","276978","2022-07-28","21:53:23",""
"7130433","13.0253","0.0003","10.4167","0.0003","21.3841","0.0005","90","","90","","90","","2901.41","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C128 H128 F8 N8 O16 -","8","1","","Singh, Ravi Prakash; Tripathi, Krishna N.; Singh, Shashank; Akhtar, Naved; Manna, Kuntal","Visible-Light-Driven Site-selective Alkylation of Benzo Core of Coumarins","Chemical Communications","2022","","","","","10.1039/D2CC03073J","","","0.71073","MoKα","","0.0565","0.0422","","","0.1408","0.1683","","","","","","1.101","","","","has coordinates","276979","2022-07-28","21:53:46",""
"7130434","8.4386","0.0017","11.633","0.002","15.457","0.002","107.939","0.009","94.991","0.008","110.518","0.014","1319.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Br Cl2 N O -","- C12 H12 Br Cl2 N O -","- C48 H48 Br4 Cl8 N4 O4 -","4","2","","Chen, Chao; Liu, Ru-Xin; Xiong, Feng; Li, Zi-Hao; Kang, Jun-Chen; Ding, Tong-Mei; Zhang, Shu-Yu","Electrochemical collective synthesis of labeled pyrroloindoline alkaloids with Freon-type methanes as functional C1 synthons","Chemical Communications","2022","","","","","10.1039/D2CC03301A","","","1.54178","CuKα","","0.0347","0.0312","","","0.0843","0.0865","","","","","","1.049","","","","has coordinates","276980","2022-07-28","21:54:17",""
"7130435","30.3413","0.0016","5.7873","0.0003","15.652","0.0008","90","","97.591","0.003","90","","2724.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 N4 O2 -","- C31 H36 N4 O2 -","- C124 H144 N16 O8 -","4","1","","Chen, Chao; Liu, Ru-Xin; Xiong, Feng; Li, Zi-Hao; Kang, Jun-Chen; Ding, Tong-Mei; Zhang, Shu-Yu","Electrochemical collective synthesis of labeled pyrroloindoline alkaloids with Freon-type methanes as functional C1 synthons","Chemical Communications","2022","","","","","10.1039/D2CC03301A","","","1.54178","CuKα","","0.1106","0.0829","","","0.2286","0.2543","","","","","","1.053","","","","has coordinates","276980","2022-07-28","21:54:18",""
"7130436","12.7305","0.0002","13.2336","0.0002","14.6639","0.0002","81.145","0.001","79.376","0.001","76.024","0.001","2340.65","0.06","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H61 B Cl3 Ir N2 P2 -","- C49 H61 B Cl3 Ir N2 P2 -","- C98 H122 B2 Cl6 Ir2 N4 P4 -","2","1","","Kamada, Kenji; Jung, Jieun; Kametani, Yohei; Wakabayashi, Taku; Shiota, Yoshihito; Yoshizawa, Kazunari; Bae, Seong Hee; Muraki, Manami; Naruto, Masayuki; Sekizawa, Keita; Sato, Shunsuke; Morikawa, Takeshi; Saito, Susumu","Importance of steric bulkiness of iridium photocatalysts with PNNP tetradentate ligands for CO2 reduction","Chemical Communications","2022","","","","","10.1039/D2CC01701F","","x-ray","0.71073","MoKα","","0.0285","0.0243","","","0.0553","0.0564","","","","","","1.04","","","","has coordinates","276981","2022-07-28","21:54:43",""
"7130437","11.507","0.007","11.622","0.007","15.292","0.008","81.31","0.02","69.658","0.019","70.312","0.014","1804.1","1.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Br O5 Si -","- C38 H41 Br O5 Si -","- C76 H82 Br2 O10 Si2 -","2","1","","Bavikar, Suhas Ravindra; Lo, Hong-Jay; Sai Pavan Kumar, Chebolu Naga Sesha; Chein, Rong-Jie","Total synthesis of (-)-panduratin D.","Chemical communications (Cambridge, England)","2022","58","61","8564","8567","10.1039/d2cc02980d","","","0.71073","MoKα","","0.0686","0.0441","","","0.1111","0.125","","","","","","1.004","","","","has coordinates","276982","2022-07-28","21:55:03",""
"7130438","9.4244","0.0008","9.7735","0.0008","16.0599","0.0013","105.511","0.007","106.708","0.007","93.809","0.007","1348.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl F O3 -","- C30 H32 Cl F O3 -","- C60 H64 Cl2 F2 O6 -","2","1","","Wang, Biao; Zhong, Han; Tian, Xu","KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones","Chemical Communications","2022","","","","","10.1039/D2CC03007A","","","1.54184","CuKα","","0.0886","0.0546","","","0.1265","0.1503","","","","","","1.041","","","","has coordinates","276983","2022-07-28","21:55:38",""
"7130439","7.0573","0.0007","18.127","0.002","33.894","0.004","90","","90","","90","","4336","0.8","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br Cl O2 -","- C26 H22 Br Cl O2 -","- C208 H176 Br8 Cl8 O16 -","8","2","","Wang, Biao; Zhong, Han; Tian, Xu","KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones","Chemical Communications","2022","","","","","10.1039/D2CC03007A","","","0.71073","MoKα","","0.0802","0.0418","","","0.0811","0.1079","","","","","","0.975","","","","has coordinates","276983","2022-07-28","21:55:39",""
"7130440","6.4789","0.0005","18.2766","0.0013","22.8772","0.0016","90","","90","","90","","2708.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Xia, Tingting; Xi, Yang; Ding, Haojie; Zhang, Yetong; Fang, Ke; Wu, Xianqing; Qu, Jingping; Chen, Yifeng","Palladium(ii)-catalyzed enantioselective intermolecular oxidative diarylation of internal enamides","Chemical Communications","2022","","","","","10.1039/D2CC03202C","","","1.54178","CuKα","","0.0689","0.0539","","","0.1366","0.1504","","","","","","1.04","","","","has coordinates,has disorder","276996","2022-07-29","21:49:48",""
"7130441","19.1418","0.0019","11.1056","0.0012","20.762","0.002","90","","90.211","0.011","90","","4413.6","0.8","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C160 H184 N8 O32 S8 -","8","2","","Wu, Min; Zhang, Haiman; Wang, Ting; Lin, Shuang; Guo, Ziyang; Gao, Hui; Zhou, Zhi; Yi, Wei","Rh(iii)-Catalyzed chemo-, regio- and stereoselective carboamination of sulfonyl allenes with N-phenoxy amides or N-enoxy imides","Chemical Communications","2022","","","","","10.1039/D2CC02982K","","x-ray","0.71073","MoKα","","0.1213","0.095","","","0.2462","0.2662","","","","","","1.054","","","","has coordinates","276997","2022-07-29","21:50:14",""
"7130442","8.7153","0.0001","9.2902","0.0002","9.5098","0.0001","107.989","0.002","94.973","0.001","92.73","0.002","727.33","0.02","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N -","- C20 H19 N -","- C40 H38 N2 -","2","1","","Wang, Qing; Wang, Sen-Lin; Fan, Jin-Bao; Zeng, Guang-Yao; Zhou, Ying-Jun; Deng, Xu","Acid-promoted intra- and intermolecular [2+2] cycloaddition of indoles to aryl alkynes to access cyclobutene-fused indolines","Chemical Communications","2022","","","","","10.1039/D2CC02840A","","x-ray","1.54184","CuKα","","0.0392","0.0375","","","0.0953","0.0964","","","","","","1.041","","","","has coordinates","276998","2022-07-29","21:50:50",""
"7130443","10.5535","0.0001","11.4171","0.0001","18.3424","0.0002","90","","92.764","0.001","90","","2207.51","0.04","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C104 H104 N8 O8 S4 -","4","1","","Wang, Qing; Wang, Sen-Lin; Fan, Jin-Bao; Zeng, Guang-Yao; Zhou, Ying-Jun; Deng, Xu","Acid-promoted intra- and intermolecular [2+2] cycloaddition of indoles to aryl alkynes to access cyclobutene-fused indolines","Chemical Communications","2022","","","","","10.1039/D2CC02840A","","x-ray","1.54184","CuKα","","0.0345","0.0335","","","0.0917","0.0924","","","","","","1.048","","","","has coordinates","276998","2022-07-29","21:50:51",""
"7130444","7.3004","0.0006","7.2388","0.0007","16.6311","0.0014","90","","99.485","0.008","90","","866.87","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O3 S -","- C20 H19 N O3 S -","- C40 H38 N2 O6 S2 -","2","1","","Liu, Wangsheng; Zhang, Linrui; Liao, Xiaoyun; Chen, Jiean; Huang, Yong","An NHC-Catalyzed [3+2] Cyclization of β-Disubstituted Enals with Benzoyl Cyanides","Chemical Communications","2022","","","","","10.1039/D2CC04025E","","x-ray","0.71073","MoKα","","0.0497","0.0422","","","0.0904","0.0947","","","","","","1.06","","","","has coordinates","277023","2022-08-01","21:49:42",""
"7130445","13.0764","0.0003","16.9176","0.0004","18.5206","0.0004","81.259","0.001","73.079","0.001","86.251","0.001","3873.28","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","[K{crypt.222}][MesTer2As2(EtO(CH)(CH2))]","","- C72 H99.5 As2 K N2 O7.5 -","- C72 H99.5 As2 K N2 O7.5 -","- C144 H199 As4 K2 N4 O15 -","2","1","","Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar","A Diarsene Radical Anion","Chemical Communications","2022","","","","","10.1039/D2CC03237F","","","1.54178","CuKα","","0.0604","0.0526","","","0.1502","0.1587","","","","","","1.045","","","","has coordinates,has disorder","277024","2022-08-01","21:50:52",""
"7130446","10.701","0.006","11.234","0.007","22.349","0.014","97.97","0.05","102.8","0.05","94.98","0.05","2575","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 As2 -","- C48 H50 As2 -","- C96 H100 As4 -","2","1","","Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar","A Diarsene Radical Anion","Chemical Communications","2022","","","","","10.1039/D2CC03237F","","","0.71073","MoKα","","0.1273","0.0736","","","0.1727","0.187","","","","","","0.862","","","","has coordinates","277024","2022-08-01","21:50:53",""
"7130447","11.2536","0.0014","11.3183","0.0014","20.673","0.002","98.509","0.003","99.33","0.004","102.359","0.003","2492.1","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H55 As2 N -","- C54 H55 As2 N -","- C108 H110 As4 N2 -","2","1","","Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar","A Diarsene Radical Anion","Chemical Communications","2022","","","","","10.1039/D2CC03237F","","","0.71073","MoKα","","0.0395","0.0305","","","0.0794","0.0828","","","","","","1.055","","","","has coordinates","277024","2022-08-01","21:50:53",""
"7130448","11.244","0.0005","11.7593","0.0006","11.8985","0.0006","69.008","0.002","67.573","0.002","82.513","0.002","1357.69","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 As2 K O6 -","- C60 H74 As2 K O6 -","- C60 H74 As2 K O6 -","1","0.5","","Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar","A Diarsene Radical Anion","Chemical Communications","2022","","","","","10.1039/D2CC03237F","","","0.71073","MoKα","","0.0317","0.0253","","","0.0576","0.0592","","","","","","1.044","","","","has coordinates","277024","2022-08-01","21:50:53",""
"7130449","12.6616","0.0006","13.6573","0.0007","20.3961","0.0009","91.769","0.002","92.237","0.002","98.385","0.002","3484.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 As2 K O9 -","- C72 H98 As2 K O9 -","- C144 H196 As4 K2 O18 -","2","1","","Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar","A Diarsene Radical Anion","Chemical Communications","2022","","","","","10.1039/D2CC03237F","","","0.71073","MoKα","","0.0883","0.0518","","","0.1014","0.1099","","","","","","1.044","","","","has coordinates","277024","2022-08-01","21:50:53",""
"7130450","5.9449","0.0009","11.5815","0.0017","17.349","0.002","98.128","0.004","96.785","0.004","99.935","0.004","1152.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 Br2 O -","- C27 H26 Br2 O -","- C54 H52 Br4 O2 -","2","1","","Cheng, Susan; Battaglia, Alicia M.; Imperiale, Christian J.; Lough, Alan; Wilson, Mark W. B.; Seferos, Dwight S.","Synthesis and optoelectronic properties of radical conjugated polyfluorenes.","Chemical communications (Cambridge, England)","2022","58","62","8630","8633","10.1039/d2cc02406c","","","0.71073","MoKα","","0.0846","0.0495","","","0.0917","0.1021","","","","","","1.029","","","","has coordinates","277039","2022-08-02","21:51:09",""
"7130451","8.3536","0.0011","10.1478","0.0013","11.5065","0.0015","78.36","0.003","87.561","0.003","83.315","0.003","948.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Galia85b (Pritam)","","","- C14 H16 Cl2 Cu N4 O10 -","- C14 H16 Cl2 Cu N4 O10 -","- C28 H32 Cl4 Cu2 N8 O20 -","2","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.0707","0.0597","","","0.1205","0.1285","","","","","","0.986","","","","has coordinates","277040","2022-08-02","21:52:39",""
"7130452","7.8431","0.0011","25.178","0.003","11.0713","0.0016","90","","90","","90","","2186.3","0.5","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","Galia86b (Pritam)","","","- C16 H19 Cl2 Cu N5 O10 -","- C16 H19 Cl2 Cu N5 O10 -","- C64 H76 Cl8 Cu4 N20 O40 -","4","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1707","0.0577","","","0.0725","0.0944","","","","","","0.887","","","","has coordinates","277040","2022-08-02","21:52:51",""
"7130453","8.341","0.003","10.126","0.004","11.518","0.004","78.746","0.007","87.63","0.008","83.013","0.009","946.9","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Galia104b (Pritam)","","","- C14 H16 Cl2 Cu N4 O10 -","- C14 H16 Cl2 Cu N4 O10 -","- C28 H32 Cl4 Cu2 N8 O20 -","2","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1113","0.0543","","","0.0944","0.1103","","","","","","0.969","","","","has coordinates","277040","2022-08-02","21:52:54",""
"7130454","5.624","0.004","4.719","0.003","37.248","0.003","90","","90.99","0.03","90","","988.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Galia110b (Pritam)","","","- C9 H12 Cl N2 O -","- C9 H12 Cl N2 O -","- C36 H48 Cl4 N8 O4 -","4","2","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1992","0.1379","","","0.3198","0.3659","","","","","","1.074","","","","has coordinates,has disorder","277040","2022-08-02","21:53:03",""
"7130455","7.8052","0.0006","25.0379","0.0018","11.0594","0.0008","90","","90","","90","","2161.3","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","Galia72b (Pritam)","","","- C16 H19 Cl2 Cu N5 O10 -","- C16 H19 Cl2 Cu N5 O10 -","- C64 H76 Cl8 Cu4 N20 O40 -","4","1","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.0497","0.0398","","","0.0876","0.0909","","","","","","0.979","","","","has coordinates","277040","2022-08-02","21:53:13",""
"7130456","17.36","0.003","9.5805","0.0016","24.673","0.004","90","","95.134","0.004","90","","4087.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Galia79b (Pritam)","","","- C70 H84 Cl4 Cu2 N16 O28 -","- C70 H84 Cl4 Cu2 N16 O28 -","- C140 H168 Cl8 Cu4 N32 O56 -","2","0.5","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1915","0.0962","","","0.1919","0.2335","","","","","","1.086","","","","has coordinates,has disorder","277040","2022-08-02","21:53:30",""
"7130457","23.575","0.003","25.656","0.003","21.546","0.004","90","","90","","90","","13032","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Galia77b (Pritam)","","","- C98 H141 Cl8 Cu4 N27 O59 -","- C98 H141 Cl8 Cu4 N27 O59 -","- C392 H564 Cl32 Cu16 N108 O236 -","4","0.5","","Ghosh, Pritam; Ruan, Guilin; Fridman, Natalia; Maayan, Galia","Amide Bond Hydrolysis of Peptoids","Chemical Communications","2022","","","","","10.1039/D2CC02717H","","","0.71073","MoKα","","0.1604","0.0688","","","0.1571","0.2075","","","","","","1.025","","","","has coordinates,has disorder","277040","2022-08-02","21:53:32",""
"7130458","9.2624","0.0006","9.3808","0.0006","25.6699","0.0017","85.931","0.002","83.106","0.002","61.125","0.002","1938.8","0.2","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H72 As2 -","- C36 H72 As2 -","- C72 H144 As4 -","2","1","","Zarcone, Samuel R.; Verardi, Peter J.; Bhuvanesh, Nattamai; Gladysz, John A.","A surprise landing on the <i>terra incognita</i> of macrocyclic dibridgehead diorganoarsines: syntheses, structures, and reactivities.","Chemical communications (Cambridge, England)","2022","58","62","8694","8697","10.1039/d2cc03235j","","","1.54178","CuKα","","0.0341","0.0314","","","0.0855","0.0874","","","","","","1.048","","","","has coordinates","277041","2022-08-02","21:54:57",""
"7130459","8.6319","0.0006","13.4245","0.001","20.7781","0.0015","72.297","0.002","84.548","0.002","88.073","0.002","2283.3","0.3","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H92 As2 O6 -","- C42 H92 As2 O6 -","- C84 H184 As4 O12 -","2","1","","Zarcone, Samuel R.; Verardi, Peter J.; Bhuvanesh, Nattamai; Gladysz, John A.","A surprise landing on the <i>terra incognita</i> of macrocyclic dibridgehead diorganoarsines: syntheses, structures, and reactivities.","Chemical communications (Cambridge, England)","2022","58","62","8694","8697","10.1039/d2cc03235j","","","1.54178","CuKα","","0.0717","0.0678","","","0.1677","0.1707","","","","","","1.169","","","","has coordinates","277041","2022-08-02","21:55:07",""
"7130460","16.3117","0.0005","13.9045","0.0005","20.118","0.0006","90","","91.2943","0.0013","90","","4561.7","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H84 As2 Cl2 Pt -","- C42 H84 As2 Cl2 Pt -","- C168 H336 As8 Cl8 Pt4 -","4","1","","Zarcone, Samuel R.; Verardi, Peter J.; Bhuvanesh, Nattamai; Gladysz, John A.","A surprise landing on the <i>terra incognita</i> of macrocyclic dibridgehead diorganoarsines: syntheses, structures, and reactivities.","Chemical communications (Cambridge, England)","2022","58","62","8694","8697","10.1039/d2cc03235j","","","1.54178","CuKα","","0.0288","0.0265","","","0.0669","0.0688","","","","","","1.06","","","","has coordinates,has disorder","277041","2022-08-02","21:55:13",""
"7130461","12.3614","0.0006","23.4929","0.0013","27.5134","0.0014","98.883","0.002","93.032","0.002","103.195","0.002","7653.4","0.7","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H194 O33 S6 -","- C146 H167 O29 S6 -","- C292 H334 O58 S12 -","2","1","","Luo, Jinwen; Guo, Yunlong; Li, Ping; Sue, Andrew C.-H.; Cheng, Chuyang","Dynamic combinatorial libraries of a dimercapto-pillar[5]arene.","Chemical communications (Cambridge, England)","2022","58","62","8646","8649","10.1039/d2cc02752f","","","0.71073","MoKα","","0.1007","0.061","","","0.1341","0.1555","","","","","","1.014","","","","has coordinates,has disorder","277042","2022-08-02","21:56:15",""
"7130462","15.3974","0.0008","11.039","0.0005","21.288","0.0011","90","","99.266","0.006","90","","3571.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Compound 3ac","","- C40 H44 N2 O3 S -","- C40 H44 N2 O3 S -","- C160 H176 N8 O12 S4 -","4","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","","0.71073","MoKα","","0.1502","0.0684","","","0.1322","0.1779","","","","","","1.015","","","","has coordinates","277043","2022-08-02","21:57:49",""
"7130463","12.2295","0.001","12.9142","0.001","14.2096","0.0012","95.174","0.007","99.059","0.007","113.378","0.008","2005.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Compound 3fa","","- C46 H47 F N2 O4 S -","- C46 H47 F N2 O4 S -","- C92 H94 F2 N4 O8 S2 -","2","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","x-ray","1.54184","CuKα","","0.057","0.0478","","","0.1251","0.1348","","","","","","1.027","","","","has coordinates","277043","2022-08-02","21:57:49",""
"7130464","10.5422","0.0001","12.8934","0.0001","30.3311","0.0004","90","","95.105","0.001","90","","4106.4","0.07","302.48","0.1","302.48","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Compound 3da","","- C47 H50 N2 O4 S -","- C47 H50 N2 O4 S -","- C188 H200 N8 O16 S4 -","4","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","x-ray","1.54184","CuKα","","0.0577","0.0483","","","0.1294","0.1365","","","","","","1.083","","","","has coordinates","277043","2022-08-02","21:57:49",""
"7130465","10.5596","0.0001","12.8691","0.0001","30.3703","0.0003","90","","96.17","0.001","90","","4103.19","0.07","303.78","0.1","303.78","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Compound 3ia","","- C46 H47 Br N2 O4 S -","- C46 H47 Br N2 O4 S -","- C184 H188 Br4 N8 O16 S4 -","4","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","x-ray","1.54184","CuKα","","0.0548","0.047","","","0.126","0.1316","","","","","","1.045","","","","has coordinates","277043","2022-08-02","21:57:50",""
"7130466","12.447","0.0002","13.1078","0.0003","15.0372","0.0002","105.888","0.002","96.944","0.002","114.393","0.002","2070.93","0.09","302.34","0.1","302.34","0.1","","","","","","","","5","P -1","-P 1","2","","Compound 3ea","","- C47 H50 N2 O4 S -","- C47 H50 N2 O4 S -","- C94 H100 N4 O8 S2 -","2","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","x-ray","1.54184","CuKα","","0.0611","0.0469","","","0.1247","0.1344","","","","","","1.05","","","","has coordinates","277043","2022-08-02","21:57:50",""
"7130467","10.5537","0.0001","12.9358","0.0001","30.0737","0.0003","90","","93.782","0.001","90","","4096.74","0.06","291.7","0.2","291.7","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Compound 3ca","","- C47 H50 N2 O4 S -","- C47 H50 N2 O4 S -","- C188 H200 N8 O16 S4 -","4","1","","Yu, Ke-Yin; Ge, Xiao-Min; Fan, Yi-Jun; Liu, Xiao-Tao; Yang, Xue; Yang, Yu-Han; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Iron(III)-catalyzed tandem annulation of indolyl-substituted <i>p</i>-quinone methides with ynamides for the synthesis of cyclopenta[<i>b</i>]indoles.","Chemical communications (Cambridge, England)","2022","58","62","8710","8713","10.1039/d2cc03252j","","x-ray","1.54184","CuKα","","0.0466","0.0424","","","0.117","0.1199","","","","","","1.045","","","","has coordinates","277043","2022-08-02","21:57:50",""
"7130468","16.6702","0.0008","8.6322","0.0003","16.6363","0.0007","90","","116.458","0.006","90","","2143.23","0.19","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N O2 P -","- C24 H30 N O2 P -","- C96 H120 N4 O8 P4 -","4","1","","Wang, Xinmou; Yu, Mo; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin","Palladium metallaphotoredox-catalyzed 3-acylation of indole derivatives","Chemical Communications","2022","","","","","10.1039/D2CC03658D","","x-ray","0.71073","MoKα","","0.0647","0.0479","","","0.1184","0.1296","","","","","","1.034","","","","has coordinates","277054","2022-08-03","21:51:45",""
"7130469","9.0088","0.0002","11.8283","0.0002","12.2176","0.0002","109.579","0.002","91.015","0.002","93.297","0.002","1223.64","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 N O3 S -","- C29 H31 N O3 S -","- C58 H62 N2 O6 S2 -","2","1","","Maji, Kakoli; Thorve, Pradip Ramdas; Rai, Pramod; Maji, Biplab","Enantioselective C–H bond functionalization of aromatic ketones with 1,6-enynes via photoredox/cobalt dual catalysis","Chemical Communications","2022","","","","","10.1039/D2CC03595B","","x-ray","1.54184","CuKα","","0.0474","0.0451","","","0.1259","0.1284","","","","","","1.093","","","","has coordinates","277055","2022-08-03","21:52:20",""
"7130470","9.9212","0.0001","10.4931","0.0001","12.8936","0.0001","74.385","0.001","86.432","0.001","89.032","0.001","1290.23","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","KMC KD 273","","- C32 H29 N O3 S -","- C32 H29 N O3 S -","- C64 H58 N2 O6 S2 -","2","1","","Maji, Kakoli; Thorve, Pradip Ramdas; Rai, Pramod; Maji, Biplab","Enantioselective C–H bond functionalization of aromatic ketones with 1,6-enynes via photoredox/cobalt dual catalysis","Chemical Communications","2022","","","","","10.1039/D2CC03595B","","x-ray","1.54184","CuKα","","0.0597","0.0585","","","0.1387","0.1396","","","","","","1.046","","","","has coordinates","277055","2022-08-03","21:52:21",""
"7130471","14.9296","0.0011","14.9296","0.0011","23.2119","0.0018","90","","90","","120","","4480.6","0.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","NiBL","","","- C39 H60 B N4 Ni P3 -","- C39 H60 B N4 Ni P3 -","- C156 H240 B4 N16 Ni4 P12 -","4","0.333333","","Prat, Jacob R.; Cammarota, Ryan C.; Graziano, Brendan J.; Moore, James T.; Lu, Connie C.","Toggling the Z-type interaction off-on in nickel-boron dihydrogen and anionic hydride complexes.","Chemical communications (Cambridge, England)","2022","58","63","8798","8801","10.1039/d2cc03219h","","","0.71073","MoKα","","0.048","0.0344","","","0.0754","0.0827","","","","","","1.09","","","","has coordinates","277068","2022-08-04","21:51:52",""
"7130472","16.6281","0.0005","13.0544","0.0005","18.4221","0.0007","90","","93.02","0.001","90","","3993.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 B N6 Ni P3 -","- C39 H60 B N6 Ni P3 -","- C156 H240 B4 N24 Ni4 P12 -","4","1","","Prat, Jacob R.; Cammarota, Ryan C.; Graziano, Brendan J.; Moore, James T.; Lu, Connie C.","Toggling the Z-type interaction off-on in nickel-boron dihydrogen and anionic hydride complexes.","Chemical communications (Cambridge, England)","2022","58","63","8798","8801","10.1039/d2cc03219h","","","0.71073","MoKα","","0.0885","0.0455","","","0.0792","0.0914","","","","","","1.012","","","","has coordinates","277068","2022-08-04","21:51:53",""
"7130473","16.9341","0.0014","22.9728","0.0019","18.7504","0.0013","90","","112.891","0.002","90","","6719.9","0.9","125","2","125","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","KCryptHNiBL","","","- C64 H105 B K N6 Ni O6 P3 -","- C64 H105 B K N6 Ni O6 P3 -","- C256 H420 B4 K4 N24 Ni4 O24 P12 -","4","1","","Prat, Jacob R.; Cammarota, Ryan C.; Graziano, Brendan J.; Moore, James T.; Lu, Connie C.","Toggling the Z-type interaction off-on in nickel-boron dihydrogen and anionic hydride complexes.","Chemical communications (Cambridge, England)","2022","58","63","8798","8801","10.1039/d2cc03219h","","","0.71073","MoKα","","0.084","0.045","","","0.0961","0.1138","","","","","","1.036","","","","has coordinates,has disorder","277068","2022-08-04","21:51:53",""
"7130474","14.6141","0.0004","29.7385","0.001","5.6446","0.0002","90","","90","","90","","2453.15","0.14","100","","100.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H26 O6 -","- C30 H26 O6 -","- C120 H104 O24 -","4","1","","Wang, Zhihan; Amjaour, Houssein; Robertson, Joseph E. M.; Azizov, Djavdat; Ugrinov, Angel; Chu, Qianli R.","A recyclable thermoset with built-in thermocleavable group developed from a <i>cis</i>-cyclobutane-1,2-dicarboxylic acid.","Chemical communications (Cambridge, England)","2022","58","63","8850","8853","10.1039/d2cc01502a","","","1.54178","CuKα","","0.0426","0.036","","","0.081","0.0852","","","","","","1.063","","","","has coordinates","277069","2022-08-04","21:54:02",""
"7130475","9.9196","0.0002","6.44705","0.00016","8.1105","0.0002","90","","90","","90","","518.68","0.02","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","5-AtP","5-aminotetrazole-peroxosolvate","","- C H5 N5 O2 -","- C H5 N5 O2 -","- C4 H20 N20 O8 -","4","0.5","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0364","0.0341","","","0.0977","0.1003","","","","","","1.115","","","","has coordinates,has disorder","277070","2022-08-04","21:54:43",""
"7130476","25.6236","0.0002","5.464","0.0001","8.1385","0.0001","90","","96.755","0.001","90","","1131.54","0.03","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","DDP","3,4-diaminofurazan-3,4-dinitro-1H-pyrazole-peroxosolvate","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0247","0.0244","","","0.0616","0.0617","","","","","","1.083","","","","has coordinates","277070","2022-08-04","21:54:44",""
"7130477","5.36177","0.00004","8.07141","0.00005","25.18846","0.00016","90","","90","","90","","1090.08","0.013","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DDH","3,4-diaminofurazan-3,4-dinitro-1H-pyrazole-hydrate","","- C5 H8 N8 O6 -","- C5 H8 N8 O6 -","- C20 H32 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0323","0.0315","","","0.0897","0.0904","","","","","","1.079","","","","has coordinates","277070","2022-08-04","21:54:44",""
"7130478","11.3975","0.0012","13.8907","0.0014","18.5409","0.0019","90","","101.354","0.001","90","","2877.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(1-(4-pyridyl)butane-1,3-dionato)(pyridine)copper(II)1,4-diiodo-2,3,5,6-tetrafluorobenzene","","- C29 H21 Cu F4 I2 N3 O4 -","- C29 H21 Cu F4 I2 N3 O4 -","- C116 H84 Cu4 F16 I8 N12 O16 -","4","1","","Blasi, Delia; Nicolai, Valentina; Gomila, Rosa M.; Mercandelli, Pierluigi; Frontera, Antonio; Carlucci, Lucia","Unprecedented {dz2-CuIIO4}⋯π-hole interactions: the case of a cocrystal of a Cu(ii) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene","Chemical Communications","2022","","","","","10.1039/D2CC03457C","","","0.71073","MoKα","","0.0328","0.0279","","","0.0619","0.0635","","","","","","1.192","","","","has coordinates","277071","2022-08-04","21:55:15",""
"7130479","9.7544","0.0001","10.2325","0.0001","15.2956","0.0002","100.03","0.001","93.778","0.001","106.51","0.001","1430.56","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 Cr N3 O3 -","- C27 H54 Cr N3 O3 -","- C54 H108 Cr2 N6 O6 -","2","1","","Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N.","TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO)","Chemical Communications","2022","","","","","10.1039/D2CC03838B","","x-ray","1.54184","CuKα","","0.0505","0.0487","","","0.1265","0.1285","","","","","","1.061","","","","has coordinates","277079","2022-08-05","21:50:28",""
"7130480","12.058","0.0006","15.6515","0.0005","12.1533","0.0005","90","","118.845","0.006","90","","2009.06","0.19","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Mo N2 O4 -","- C18 H36 Mo N2 O4 -","- C72 H144 Mo4 N8 O16 -","4","1","","Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N.","TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO)","Chemical Communications","2022","","","","","10.1039/D2CC03838B","","x-ray","0.71073","MoKα","","0.0533","0.0476","","","0.1057","0.1095","","","","","","1.132","","","","has coordinates","277079","2022-08-05","21:50:31",""
"7130481","10.1981","0.0001","14.6629","0.0001","27.4065","0.0002","90","","90","","90","","4098.2","0.06","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl Cr N2 O2 -","- C18 H36 Cl Cr N2 O2 -","- C144 H288 Cl8 Cr8 N16 O16 -","8","1","","Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N.","TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO)","Chemical Communications","2022","","","","","10.1039/D2CC03838B","","x-ray","1.54184","CuKα","","0.0292","0.0271","","","0.0708","0.0721","","","","","","1.062","","","","has coordinates","277079","2022-08-05","21:50:34",""
"7130482","12.9181","0.001","23.922","0.002","18.3733","0.0014","90","","96.868","0.003","90","","5637.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 Co N4 -","- C64 H86 Co N4 -","- C256 H344 Co4 N16 -","4","1","","Gomes, Pedro T.; Ferreira, Patrícia S.; Malta, José Francisco; Bandeira, Nuno; Allgaier, Alexander; van Slageren, Joris; Paixão, José António; Almeida, Manuel; Pereira, Laura C. J.","Enhancing SIM behaviour in a mononuclear tetrahedral [Co(N,N’-2-iminopyrrolyl)2] complex","Chemical Communications","2022","","","","","10.1039/D2CC03511A","","x-ray","0.71073","MoKα","","0.1894","0.072","","","0.1365","0.1825","","","","","","0.934","","","","has coordinates","277080","2022-08-05","21:51:13",""
"7130483","17.8813","0.0001","15.8518","0.0001","26.0785","0.0002","90","","98.138","0.001","90","","7317.53","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H53 B Cl F15 N2 O2 -","- C66 H53 B Cl F15 N2 O2 -","- C264 H212 B4 Cl4 F60 N8 O8 -","4","1","","P., Sreejyothi; Sarkar, Pallavi; Dutta, Supriti; Das, Arpan; Pati, Swapan K.; Mandal, Swadhin K.","Regioselective ring-opening of epoxides towards Markovnikov alcohols: a metal-free catalytic approach using abnormal N-heterocyclic carbene","Chemical Communications","2022","","","","","10.1039/D2CC03549A","","x-ray","1.54184","CuKα","","0.0542","0.0494","","","0.1314","0.1346","","","","","","1.032","","","","has coordinates","277081","2022-08-05","21:51:39",""
"7130484","8.5805","0.0004","17.5759","0.0008","21.6097","0.0009","90","","90","","90","","3259","0.3","102","","102","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 F4 O Te -","- C6 H6 F4 O Te -","- C96 H96 F64 O16 Te16 -","16","2","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0313","0.0228","","","0.0426","0.0453","","","","","","1.13","","","","has coordinates","277152","2022-08-08","21:58:54",""
"7130485","10.7027","0.0005","7.5755","0.0003","21.8142","0.0009","90","","96.479","0.002","90","","1757.36","0.13","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H3 F13 K N O Te -","- C14 H3 F13 K N O Te -","- C56 H12 F52 K4 N4 O4 Te4 -","4","1","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0149","0.0143","","","0.0381","0.0384","","","","","","1.111","","","","has coordinates","277152","2022-08-08","21:59:44",""
"7130486","11.2055","0.0003","14.9302","0.0004","15.5064","0.0005","90","","105.243","0.001","90","","2502.96","0.13","299","","299","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F4 O P Te -","- C30 H25 F4 O P Te -","- C120 H100 F16 O4 P4 Te4 -","4","1","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.032","0.0282","","","0.069","0.0714","","","","","","1.067","","","","has coordinates","277152","2022-08-08","22:00:00",""
"7130487","11.3375","0.0012","8.8938","0.0009","13.7471","0.0013","90","","90","","90","","1386.2","0.2","100","2","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 F14 Te -","- C12 F14 Te -","- C48 F56 Te4 -","4","0.5","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0141","0.0138","","","0.0337","0.0339","","","","","","1.129","","","","has coordinates","277152","2022-08-08","22:00:18",""
"7130488","18.4885","0.0008","8.7591","0.0004","11.8083","0.0005","90","","108.111","0.002","90","","1817.53","0.14","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.4 H6.8 F12 O2.8 Te -","- C12 H2 F12 O2 Te -","- C48 H8 F48 O8 Te4 -","4","0.5","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0235","0.0212","","","0.0564","0.059","","","","","","1.0763","","","","has coordinates,has disorder","277152","2022-08-08","22:00:23",""
"7130489","20.7199","0.0008","21.3162","0.0009","21.6663","0.0015","67.507","0.005","70.652","0.005","71.542","0.004","8141.8","0.8","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C208 H292 Ag54 F18 N10 O52 P6 S32 -","- C208 H292 Ag54 F18 N10 O52 P6 S32 -","- C208 H292 Ag54 F18 N10 O52 P6 S32 -","1","0.5","","Gong, Chun-Hua; Sun, Zhi-Bing; Cao, Man; Luo, Xi-Ming; Wu, Jie; Wang, Qian-You; Zang, Shuang-Quan; Mak, Thomas C. W.","Phosphate anion-induced silver-chalcogenide cluster-based metal organic frameworks as dual-functional catalysts for detoxifying chemical warfare agent simulant","Chemical Communications","2022","","","","","10.1039/D2CC03120E","","x-ray","1.54184","CuKα","","0.1399","0.0884","","","0.237","0.279","","","","","","1.061","","","","has coordinates,has disorder","277153","2022-08-08","22:02:18",""
"7130490","14.4671","0.0002","18.4226","0.0002","24.9929","0.0003","74.157","0.001","78.318","0.001","81.167","0.001","6241.14","0.14","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C74 H98 Ag18 N4 O33 P6 S8 Zn -","- C74 H98 Ag18 N4 O33 P6 S8 Zn -","- C148 H196 Ag36 N8 O66 P12 S16 Zn2 -","2","1","","Gong, Chun-Hua; Sun, Zhi-Bing; Cao, Man; Luo, Xi-Ming; Wu, Jie; Wang, Qian-You; Zang, Shuang-Quan; Mak, Thomas C. W.","Phosphate anion-induced silver-chalcogenide cluster-based metal organic frameworks as dual-functional catalysts for detoxifying chemical warfare agent simulant","Chemical Communications","2022","","","","","10.1039/D2CC03120E","","x-ray","1.54184","CuKα","","0.11","0.0984","","","0.2354","0.2421","","","","","","1.013","","","","has coordinates,has disorder","277153","2022-08-08","22:02:29",""
"7130491","21.6428","0.0013","11.8899","0.0008","19.3967","0.0011","90","","107.608","0.003","90","","4757.5","0.5","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C47.5 H71 Cl Ga N3 Si Sn -","- C47.5 H71 Cl Ga N3 Si Sn -","- C190 H284 Cl4 Ga4 N12 Si4 Sn4 -","4","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0707","0.0506","","","0.1334","0.1564","","","","","","1.043","","","","has coordinates,has disorder","277154","2022-08-08","22:08:30",""
"7130492","10.8534","0.001","12.7554","0.0011","20.8891","0.0018","81.618","0.003","83.685","0.003","70.885","0.003","2697.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H77 Cl Ga Ge N3 -","- C60 H77 Cl Ga Ge N3 -","- C120 H154 Cl2 Ga2 Ge2 N6 -","2","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0348","0.0294","","","0.0782","0.0822","","","","","","1.036","","","","has coordinates,has disorder","277154","2022-08-08","22:09:08",""
"7130493","10.8257","0.0009","11.4854","0.0009","21.0914","0.0018","87.639","0.004","87.473","0.004","65.602","0.004","2385.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H66 Cl Ga Ge N2 -","- C53 H66 Cl Ga Ge N2 -","- C106 H132 Cl2 Ga2 Ge2 N4 -","2","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","0.71073","MoKα","","0.078","0.0433","","","0.0888","0.099","","","","","","1.029","","","","has coordinates","277154","2022-08-08","22:09:16",""
"7130494","10.2306","0.0005","12.1923","0.0006","20.7888","0.001","81.3746","0.0013","85.1409","0.0014","67.7274","0.0013","2371.4","0.2","102","2","102","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H71 Cl Ga Ge N3 Si -","- C47.5 H71 Cl Ga Ge N3 Si -","- C95 H142 Cl2 Ga2 Ge2 N6 Si2 -","2","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0244","0.0239","","","0.0628","0.0632","","","","","","1.027","","","","has coordinates,has disorder","277154","2022-08-08","22:09:32",""
"7130495","12.5504","0.0012","16.4542","0.0016","20.1733","0.0019","100.15","0.004","106.824","0.004","93.386","0.004","3898.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H79 B F24 Ga Ge N3 Si -","- C76 H79 B F24 Ga Ge N3 Si -","- C152 H158 B2 F48 Ga2 Ge2 N6 Si2 -","2","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0397","0.0358","","","0.0936","0.0976","","","","","","1.023","","","","has coordinates,has disorder","277154","2022-08-08","22:09:36",""
"7130496","21.375","0.0016","19.8369","0.0015","20.6724","0.0017","90","","113.542","0.003","90","","8035.8","1.1","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H67 Al F36 Ga N3 O4 Si Sn -","- C60 H67 Al F36 Ga N3 O4 Si Sn -","- C240 H268 Al4 F144 Ga4 N12 O16 Si4 Sn4 -","4","1","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0563","0.0502","","","0.1355","0.1436","","","","","","1.024","","","","has coordinates,has disorder","277154","2022-08-08","22:09:42",""
"7130497","25.1362","0.0016","17.414","0.0011","36.805","0.002","90","","96.472","0.002","90","","16007.7","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H69.75 Al F36.75 Ga Ge N2 O4 -","- C72 H68.5 Al F36.5 Ga Ge N2 O4 -","- C576 H548 Al8 F292 Ga8 Ge8 N16 O32 -","8","2","","Bücker, Anna; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan","Structurally characterised intermediate of the oxidative addition of a heteroleptic germylene to gallanediyle","Chemical Communications","2022","","","","","10.1039/D2CC03561H","","","1.54178","CuKα","","0.0514","0.0477","","","0.1227","0.1262","","","","","","1.021","","","","has coordinates,has disorder","277154","2022-08-08","22:09:46",""
"7130498","12.039","0.002","18.483","0.003","22.273","0.004","90","","90","","90","","4956.1","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 -","- C30 H27 N O5 -","- C240 H216 N8 O40 -","8","2","","Settipalli, Poorna Chandrasekhar; Shaik, Anwar","A Triple Cascade Approach Towards Diastereoselective Synthesis of Spiro trans-decalinol Scaffolds","Chemical Communications","2022","","","","","10.1039/D2CC03562F","","","0.71073","MoKα","","0.0836","0.0543","","","0.0989","0.11","","","","","","1.005","","","","has coordinates","277155","2022-08-08","22:12:11",""
"7130499","10.7463","0.0012","16.434","0.0018","14.4097","0.0016","90","","90.654","0.004","90","","2544.7","0.5","110.15","","110.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Au Cl O P -","- C31 H25 Au Cl O P -","- C124 H100 Au4 Cl4 O4 P4 -","4","1","","Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.","Augmenting metallobasicity to modulate gold hydrogen bonding","Chemical Communications","2022","","","","","10.1039/D2CC03328C","","","0.71073","MoKα","","0.0224","0.018","","","0.0398","0.0418","","","","","","1.084","","","","has coordinates","277169","2022-08-09","21:44:59",""
"7130500","9.5116","0.0016","12.37","0.002","12.454","0.002","91.29","0.007","98.003","0.007","97.943","0.007","1435.8","0.4","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Au O P -","- C37 H30 Au O P -","- C74 H60 Au2 O2 P2 -","2","1","","Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.","Augmenting metallobasicity to modulate gold hydrogen bonding","Chemical Communications","2022","","","","","10.1039/D2CC03328C","","","0.71073","MoKα","","0.0402","0.0316","","","0.0635","0.0651","","","","","","1.008","","","","has coordinates","277169","2022-08-09","21:45:00",""
"7130501","11.2905","0.0005","23.3377","0.0009","11.8527","0.0004","90","","112.147","0.001","90","","2892.7","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Au O P -","- C37 H30 Au O P -","- C148 H120 Au4 O4 P4 -","4","1","","Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.","Augmenting metallobasicity to modulate gold hydrogen bonding","Chemical Communications","2022","","","","","10.1039/D2CC03328C","","","0.71073","MoKα","","0.0278","0.0222","","","0.0434","0.0444","","","","","","1.083","","","","has coordinates","277169","2022-08-09","21:45:00",""
"7130502","18.98","0.0003","10.2291","0.0001","31.7739","0.0003","90","","101.418","0.001","90","","6046.76","0.13","110","0.1","110","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H31 Au Cl O P -","- C37.5 H31 Au Cl O P -","- C300 H248 Au8 Cl8 O8 P8 -","8","1","","Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.","Augmenting metallobasicity to modulate gold hydrogen bonding","Chemical Communications","2022","","","","","10.1039/D2CC03328C","","x-ray","0.71073","MoKα","","0.0656","0.033","","","0.0696","0.0831","","","","","","1.059","","","","has coordinates,has disorder","277169","2022-08-09","21:45:00",""
"7130503","11.7751","0.0017","15.553","0.002","20.306","0.003","90","","90","","90","","3718.8","0.9","293.15","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Br O4 -","- C22 H19 Br O4 -","- C176 H152 Br8 O32 -","8","1","","Liu, Wei; Zhang, Le; Liu, Ye; Fan, Shilu; Dai, Jian-Jun; Tao, Wei; Zhu, Huixia; Xiao, Hua","Chemoselective tandem SN2'/SN2''/inter- or intramolecular Diels-Alder reaction of γ-vinyl MBH carbonates with phenols and o-hydroxychalcones","Chemical Communications","2022","","","","","10.1039/D2CC03771H","","","0.71073","MoKα","","0.0648","0.0408","","","0.1005","0.1123","","","","","","1.028","","","","has coordinates","277170","2022-08-09","21:45:43",""
"7130504","6.4832","0.0003","11.8496","0.0006","11.971","0.0005","70.722","0.004","85.965","0.004","89.751","0.004","865.76","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 B N O3 -","- C17 H26 B N O3 -","- C34 H52 B2 N2 O6 -","2","1","","Matsuura, Akihisa; Ano, Yusuke; Chatani, Naoto","Nucleophilic aromatic substitution of non-activated aryl fluorides with aliphatic amides","Chemical Communications","2022","","","","","10.1039/D2CC02999E","","x-ray","0.71073","MoKα","","0.0812","0.0544","","","0.1331","0.1454","","","","","","1.053","","","","has coordinates","277171","2022-08-09","21:46:05",""
"7130505","10.476","0.0005","14.1768","0.0007","14.4461","0.0007","90","","90","","90","","2145.48","0.18","120","2","120","2","","","","","","","synthesized by the authors","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl2 F N O4 S -","- C23 H16 Cl2 F N O4 S -","- C92 H64 Cl8 F4 N4 O16 S4 -","4","1","","Bhosale, Viraj; Cisarova, Ivana; Kamlar, Martin; Vesely, Jan","Catalytic Asymmetric Addition to Cyclic N-Acyl-iminium: Access to Sulfone Bearing Contiguous Quaternary Stereocenters","Chemical Communications","2022","","","","","10.1039/D2CC02667H","","","0.71073","MoKα","","0.0203","0.0202","","","0.0566","0.0567","","","","","","1.12","","","","has coordinates","277172","2022-08-09","21:46:30",""
"7130506","14.8934","0.0004","17.2624","0.0005","30.2493","0.0009","78.553","0.003","77.136","0.002","70.866","0.003","7096.1","0.4","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","dihept-C70H6","","- C218 H118 N20 -","- C211 H110 N20 -","- C422 H220 N40 -","2","1","","Xie, Fang-Fang; Chen, Zuo-Chang; Zhang, Min; Xie, Xiao-Ming; Chen, Ling-Fang; Tian, Hanrui; Deng, Shun-Liu; Xie, Su-Yuan; Zheng, Lansun","Capturing Nonclassical C70 with Double Heptagons in Low-Pressure Combustion","Chemical Communications","2022","","","","","10.1039/D2CC03707F","","","1.54184","CuKα","","0.1265","0.0809","","","0.2139","0.2474","","","","","","1.021","","","","has coordinates,has disorder","277173","2022-08-09","21:47:03",""
"7130507","17.28","0.003","5.9478","0.0009","10.4426","0.0017","90","","90","","90","","1073.3","0.3","121.15","","121.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(tert-butyl)-N-methylpivalamide","","- C10 H21 N O -","- C10 H21 N O -","- C40 H84 N4 O4 -","4","1","","Tomasini, Michele; Zhang, Jin; Zhao, Hui; Besalu, Emili; Falivene, Laura; Caporaso, Lucia; Szostak, Michal; Poater, Albert","A Predictive Journey Towards trans-Thioamides/Amides","Chemical Communications","2022","","","","","10.1039/D2CC04228B","","","1.34138","GaKα","","0.0529","0.05","","","0.1418","0.1464","","","","","","1.159","","","","has coordinates","277190","2022-08-10","21:51:30",""
"7130508","8.8179","0.0011","9.849","0.0011","17.496","0.002","74.38","0.004","87.105","0.004","78.928","0.003","1436.1","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Br N -","- C17 H16 Br N -","- C68 H64 Br4 N4 -","4","2","","Fang, Songjia; Chen, Wenhao; Jiang, Huanfeng; Ma, Ruize; Wu, Wanqing","Palladium-catalyzed oxidative C–H activation/annulation of N-alkylanilines with bromoalkynes: access to functionalized 3-bromoindoles","Chemical Communications","2022","","","","","10.1039/D2CC03298H","","","0.71073","MoKα","","0.1324","0.0743","","","0.1805","0.2215","","","","","","1.066","","","","has coordinates","277191","2022-08-10","21:51:53",""
"7130509","10.1859","0.0004","19.3077","0.0007","24.7773","0.001","90","","92.876","0.002","90","","4866.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 B2 N12 O2 P U -","- C44 H66 B2 N12 O2 P U -","- C176 H264 B8 N48 O8 P4 U4 -","4","1","","Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.","Isolation of uranium(iii) primary phosphido complexes","Chemical Communications","2022","","","","","10.1039/D2CC02207A","","","0.71073","MoKα","","0.0542","0.031","","","0.0623","0.0695","","","","","","1.032","","","","has coordinates,has disorder","277206","2022-08-11","21:50:18",""
"7130510","23.1916","0.0008","10.9114","0.0003","23.5679","0.0008","90","","118.915","0.001","90","","5220.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 B2 N12 P U -","- C48 H74 B2 N12 P U -","- C192 H296 B8 N48 P4 U4 -","4","1","","Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.","Isolation of uranium(iii) primary phosphido complexes","Chemical Communications","2022","","","","","10.1039/D2CC02207A","","","1.54178","CuKα","","0.0518","0.0397","","","0.075","0.078","","","","","","1.097","","","","has coordinates","277206","2022-08-11","21:50:18",""
"7130511","10.9713","0.0008","11.9909","0.0011","17.0052","0.0012","78.759","0.005","75.724","0.004","86.939","0.005","2126.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55 B2 N12 P U -","- C39 H55 B2 N12 P U -","- C78 H110 B4 N24 P2 U2 -","2","1","","Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.","Isolation of uranium(iii) primary phosphido complexes","Chemical Communications","2022","","","","","10.1039/D2CC02207A","","","1.54178","CuKα","","0.0911","0.0645","","","0.176","0.1945","","","","","","1.042","","","","has coordinates","277206","2022-08-11","21:50:19",""
"7130512","13.1649","0.0004","13.9998","0.0004","18.9583","0.0006","97.82","0.002","94.859","0.002","116.996","0.001","3041.7","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H92 B2 N12 O2 P U -","- C56 H92 B2 N12 O2 P U -","- C112 H184 B4 N24 O4 P2 U2 -","2","1","","Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.","Isolation of uranium(iii) primary phosphido complexes","Chemical Communications","2022","","","","","10.1039/D2CC02207A","","","1.54178","CuKα","","0.0346","0.0288","","","0.0573","0.0596","","","","","","1.092","","","","has coordinates","277206","2022-08-11","21:50:19",""
"7130513","18.3227","0.0008","6.1273","0.0003","54.463","0.002","90","","92.615","0.002","90","","6108.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C138 H120 F6 N6 O18 S6 -","- C138 H120 F6 N6 O18 S6 -","- C276 H240 F12 N12 O36 S12 -","2","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.1171","0.0816","","","0.1774","0.207","","","","","","1.045","","","","has coordinates","277213","2022-08-12","21:50:49",""
"7130514","9.7902","0.0002","8.5037","0.0002","11.6291","0.0003","90","","93.196","0.001","90","","966.65","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 F N O2 S -","- C23 H20 F N O2 S -","- C46 H40 F2 N2 O4 S2 -","2","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.0298","0.0284","","","0.0716","0.0728","","","","","","1.05","","","","has coordinates","277213","2022-08-12","21:50:49",""
"7130515","11.3514","0.0003","13.3056","0.0004","14.4521","0.0004","72.846","0.002","79.748","0.002","68.951","0.002","1940.17","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C88 H76 N4 O12 S4 -","- C88 H76 N4 O12 S4 -","- C88 H76 N4 O12 S4 -","1","1","","Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua","Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre","Chemical Communications","2022","","","","","10.1039/D2CC03443C","","","1.54178","CuKα","","0.0418","0.0359","","","0.0751","0.0787","","","","","","1.066","","","","has coordinates,has disorder","277213","2022-08-12","21:50:49",""
"7130516","16.905","0.005","16.905","0.005","8.039","0.003","90","","90","","120","","1989.6","1.1","90","2","90","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C30 H51 B -","- C30 H51 B -","- C90 H153 B3 -","3","0.333333","","Mears, Kristian; Kutzleb, Michelle; Stennett, Cary; Fettinger, James C.; Kaseman, Derrick; Yu, Ping; Vasko, Petra; Power, Philip P.","Terpene Dispersion Energy Donor Ligands in Borane Complexes","Chemical Communications","2022","","","","","10.1039/D2CC04203G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0918","0.0927","","","","","","1.076","","","","has coordinates","277214","2022-08-12","21:51:32",""
"7130517","18.59","0.002","18.59","0.002","7.7698","0.0009","90","","90","","120","","2325.4","0.4","90","2","90","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C33 H60 B P -","- C33 H60 B P -","- C99 H180 B3 P3 -","3","0.333333","","Mears, Kristian; Kutzleb, Michelle; Stennett, Cary; Fettinger, James C.; Kaseman, Derrick; Yu, Ping; Vasko, Petra; Power, Philip P.","Terpene Dispersion Energy Donor Ligands in Borane Complexes","Chemical Communications","2022","","","","","10.1039/D2CC04203G","","","0.71073","MoKα","","0.0258","0.0251","","","0.0608","0.0614","","","","","","1.06","","","","has coordinates","277214","2022-08-12","21:51:33",""
"7130518","9.933","0.004","10.34","0.003","11.952","0.003","78.12","0.02","89.8","0.03","71.83","0.02","1138.9","0.7","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 B Br N P -","- C22 H36 B Br N P -","- C44 H72 B2 Br2 N2 P2 -","2","1","","Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborinium cation: a synthon for cationic B-P bond systems","Chemical Communications","2022","","","","","10.1039/D2CC02933B","","","0.71073","MoKα","","0.0469","0.0343","","","0.0865","0.0907","","","","","","1.06","","","","has coordinates","277215","2022-08-12","21:53:16",""
"7130519","12.7439","0.0009","15.5369","0.0012","16.9795","0.0012","108.554","0.005","92.179","0.006","107.303","0.006","3010.1","0.4","120","2","120","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H46 Al B F36 N O5 P -","- C51 H46 Al B F36 N O5 P -","- C102 H92 Al2 B2 F72 N2 O10 P2 -","2","1","","Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborinium cation: a synthon for cationic B-P bond systems","Chemical Communications","2022","","","","","10.1039/D2CC02933B","","","0.71073","MoKα","","0.1165","0.0686","","","0.1768","0.2064","","","","","","1.034","","","","has coordinates","277215","2022-08-12","21:53:16",""
"7130520","14.6428","0.0008","15.3495","0.001","25.7474","0.0014","90","","105.268","0.004","90","","5582.7","0.6","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Al B Cl4 F36 N O4 P -","- C40 H40 Al B Cl4 F36 N O4 P -","- C160 H160 Al4 B4 Cl16 F144 N4 O16 P4 -","4","1","","Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborinium cation: a synthon for cationic B-P bond systems","Chemical Communications","2022","","","","","10.1039/D2CC02933B","","","0.71073","MoKα","","0.1132","0.0869","","","0.2461","0.2717","","","","","","1.025","","","","has coordinates,has disorder","277215","2022-08-12","21:53:17",""
"7130521","12.7391","0.0003","15.3673","0.0004","20.1094","0.0005","89.963","0.002","74.734","0.002","73.552","0.002","3630.76","0.17","120","2","120","","","","","","","","","9","P -1","-P 1","2","","","","- C57 H64 Al B2 Cl3 F36 N2 O4 P2 -","- C57 H64 Al B2 Cl3 F36 N2 O4 P2 -","- C114 H128 Al2 B4 Cl6 F72 N4 O8 P4 -","2","1","","Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborinium cation: a synthon for cationic B-P bond systems","Chemical Communications","2022","","","","","10.1039/D2CC02933B","","","0.71073","MoKα","","0.0576","0.0407","","","0.1056","0.1121","","","","","","1.066","","","","has coordinates,has disorder","277215","2022-08-12","21:53:17",""
"7130522","12.081","0.003","14.55","0.003","15.91","0.005","76.92","0.02","79.54","0.02","76.776","0.018","2626.9","1.2","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C38 H37 Al B Br F36 N O4 P -","- C38 H37 Al B Br F36 N O4 P -","- C76 H74 Al2 B2 Br2 F72 N2 O8 P2 -","2","1","","Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał","Phosphinoborinium cation: a synthon for cationic B-P bond systems","Chemical Communications","2022","","","","","10.1039/D2CC02933B","","","0.71073","MoKα","","0.1091","0.0786","","","0.2148","0.2415","","","","","","1.051","","","","has coordinates","277215","2022-08-12","21:53:17",""
"7130523","11.7622","0.0004","14.0804","0.0003","16.2304","0.0005","90","","105.57","0.003","90","","2589.38","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O5 S -","- C28 H33 N O5 S -","- C112 H132 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Fartade, Dipak J.; Gupta, Krishna S.; Patel, Raj K.","Transposition of an acrylate moiety in TMSOTf-mediated reaction of alkynyl vinylogous carbonates gives heterocyclic dienes","Chemical Communications","2022","","","","","10.1039/D2CC03802A","","x-ray","0.71073","MoKα","","0.0611","0.0463","","","0.1153","0.1255","","","","","","1.064","","","","has coordinates","277216","2022-08-12","21:54:13",""
"7130524","8.831","0.0004","10.8732","0.0004","16.2743","0.0009","90","","103.292","0.005","90","","1520.82","0.13","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Gharpure, Santosh J.; Fartade, Dipak J.; Gupta, Krishna S.; Patel, Raj K.","Transposition of an acrylate moiety in TMSOTf-mediated reaction of alkynyl vinylogous carbonates gives heterocyclic dienes","Chemical Communications","2022","","","","","10.1039/D2CC03802A","","x-ray","0.71073","MoKα","","0.063","0.0521","","","0.1336","0.142","","","","","","1.061","","","","has coordinates","277216","2022-08-12","21:54:13",""
"7130525","22.9527","0.0006","22.9527","0.0006","43.0513","0.0017","90","","90","","90","","22680.6","1.2","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C66 H65 Fe N5 -","- C52 H49 Fe N5 -","- C832 H784 Fe16 N80 -","16","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.0747","0.0541","","","0.1221","0.1304","","","","","","1.032","","","","has coordinates","277217","2022-08-12","21:58:09",""
"7130526","15.2588","0.0003","25.6179","0.0005","23.7754","0.0005","90","","92.006","0.001","90","","9288.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C101 H104 Fe2 N10 -","- C101 H104 Fe2 N10 -","- C404 H416 Fe8 N40 -","4","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.047","0.0376","","","0.0891","0.094","","","","","","1.018","","","","has coordinates","277217","2022-08-12","21:58:10",""
"7130527","12.2636","0.0006","21.0134","0.001","17.2202","0.0009","90","","92.9872","0.0017","90","","4431.6","0.4","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Fe N5 -","- C54 H53 Fe N5 -","- C216 H212 Fe4 N20 -","4","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.054","0.039","","","0.086","0.095","","","","","","1.026","","","","has coordinates","277217","2022-08-12","21:58:10",""
"7130528","11.5262","0.0002","18.7664","0.0004","18.3183","0.0004","90","","93.69","0.001","90","","3954.13","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H44 D3 Fe N5 -","- C49 H44 D3 Fe N5 -","- C196 H176 D12 Fe4 N20 -","4","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.047","0.0373","","","0.094","0.1003","","","","","","1.041","","","","has coordinates","277217","2022-08-12","21:58:10",""
"7130529","12.0209","0.0002","24.1592","0.0003","17.9381","0.0002","90","","92.99","","90","","5202.41","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H71 Fe N4 O P Si2 -","- C56 H71 Fe N4 O P Si2 -","- C224 H284 Fe4 N16 O4 P4 Si8 -","4","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.042","0.0347","","","0.0876","0.0933","","","","","","1.037","","","","has coordinates,has disorder","277217","2022-08-12","21:58:10",""
"7130530","12.8919","0.0005","13.2891","0.0005","21.1112","0.0007","74.366","0.001","76.428","0.001","89.359","0.001","3380.5","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H67 Fe N4 P -","- C72 H67 Fe N4 P -","- C144 H134 Fe2 N8 P2 -","2","1","","Najera, Daniel C.; Peñas-Defrutos, Marconi N.; García-Melchor, Max; Fout, Alison R.","γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes","Chemical Communications","2022","","","","","10.1039/D2CC03260K","","x-ray","0.71073","MoKα","","0.0436","0.0362","","","0.0959","0.1006","","","","","","1.035","","","","has coordinates","277217","2022-08-12","21:58:11",""
"7130531","17.3763","0.0003","9.1712","0.0002","25.6188","0.0005","90","","90.187","0.002","90","","4082.63","0.14","100","0.1","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","B-NO2","","- C43.5 H28 B Cl3 F2 N6 O6 -","- C43.5 H28 B Cl3 F2 N6 O6 -","- C174 H112 B4 Cl12 F8 N24 O24 -","4","1","","Zhang, Dongsheng; Xiong, Ming-Chen; Niu, Li-Ya; Yang, Qing-Zheng","Nano-assemblies from J‑aggregated dyes to improve the selectivity of H2S-activatable photosensitizer","Chemical Communications","2022","","","","","10.1039/D2CC04191J","","","1.54184","CuKα","","0.0622","0.0479","","","0.1122","0.1199","","","","","","1.0358","","","","has coordinates,has disorder","277239","2022-08-13","21:50:27",""
"7130532","5.9743","0.0005","10.7749","0.0009","14.314","0.0013","90.934","0.004","95.031","0.004","105.858","0.003","882.17","0.13","300","2","300","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Mandal, Mou; Balamurugan, Rengarajan","TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone","Chemical Communications","2022","","","","","10.1039/D2CC03730K","","","0.71073","MoKα","","0.101","0.0679","","","0.17","0.1896","","","","","","1.08","","","","has coordinates","277244","2022-08-15","21:51:15",""
"7130533","11.716","0.006","14.621","0.007","10.413","0.005","90","","107.26","0.02","90","","1703.4","1.5","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Mandal, Mou; Balamurugan, Rengarajan","TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone","Chemical Communications","2022","","","","","10.1039/D2CC03730K","","","0.71073","MoKα","","0.1864","0.1195","","","0.2841","0.3502","","","","","","1.313","","","","has coordinates","277244","2022-08-15","21:51:15",""
"7130534","10.6702","0.0004","9.9677","0.0004","15.8095","0.0008","90","","109.575","0.005","90","","1584.27","0.13","297.42","0.1","297.42","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Mandal, Mou; Balamurugan, Rengarajan","TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone","Chemical Communications","2022","","","","","10.1039/D2CC03730K","","","0.71073","MoKα","","0.0724","0.0495","","","0.129","0.1437","","","","","","1.06","","","","has coordinates","277244","2022-08-15","21:51:15",""
"7130535","11.0647","0.0002","12.8133","0.0002","15.8157","0.0003","111.413","0.002","91.06","0.001","102.444","0.001","2026.78","0.07","297.8","0.8","297.8","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","2","","Mandal, Mou; Balamurugan, Rengarajan","TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone","Chemical Communications","2022","","","","","10.1039/D2CC03730K","","x-ray","0.71073","MoKα","","0.0673","0.0464","","","0.1151","0.1279","","","","","","1.048","","","","has coordinates","277244","2022-08-15","21:51:15",""
"7130536","19.4449","0.0008","5.9085","0.0002","19.6048","0.0008","90","","116.246","0.005","90","","2020.19","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Mandal, Mou; Balamurugan, Rengarajan","TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone","Chemical Communications","2022","","","","","10.1039/D2CC03730K","","x-ray","0.71073","MoKα","","0.0881","0.0514","","","0.126","0.1502","","","","","","1.053","","","","has coordinates","277244","2022-08-15","21:51:16",""
"7130537","60.951","0.006","17.6644","0.0017","9.8809","0.001","90","","90","","90","","10638.4","1.8","200","2","200","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C33 H76 B18 K2 N2 O7 -","- C33 H76 B18 K2 N2 O7 -","- C264 H608 B144 K16 N16 O56 -","8","1","","Tej, Varun; McArthur, Sarah; Banda, Isaac; Gregory, Aaron; Fisher, Steven P.; McArthur, Scott; Lavallo, Vince","Fusing 10-vertex closo-Carborane Anions with N-Heterocyclic Carbenes","Chemical Communications","2022","","","","","10.1039/D2CC02596E","","","0.71073","MoKα","","0.063","0.059","","","0.1698","0.1747","","","","","","1.1","","","","has coordinates,has disorder","277281","2022-08-17","21:55:16",""
"7130538","9.5622","0.001","18.2827","0.0019","18.5319","0.0019","114.057","0.0016","100.875","0.0017","102.675","0.0017","2742","0.5","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.83 H82.67 B18 Li3 N2 O7.96 -","- C36.832 H82.664 B18 Li3 N2 O7.958 -","- C73.664 H165.328 B36 Li6 N4 O15.916 -","2","1","","Tej, Varun; McArthur, Sarah; Banda, Isaac; Gregory, Aaron; Fisher, Steven P.; McArthur, Scott; Lavallo, Vince","Fusing 10-vertex closo-Carborane Anions with N-Heterocyclic Carbenes","Chemical Communications","2022","","","","","10.1039/D2CC02596E","","","0.71073","MoKα","","0.0949","0.0703","","","0.1722","0.1904","","","","","","1.06","","","","has coordinates,has disorder","277281","2022-08-17","21:55:17",""
"7130539","7.831","0.0016","8.275","0.0017","22.589","0.005","90","","90","","90","","1463.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 S -","- C14 H21 N O3 S -","- C56 H84 N4 O12 S4 -","4","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.71073","Synchrotron","","0.0337","0.0335","","","0.0893","0.0895","","","","","","1.06","","","","has coordinates","277282","2022-08-17","21:56:32",""
"7130540","12.307","0.003","10.929","0.002","10.159","0.002","90","","90.12","0.03","90","","1366.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.71073","Synchrotron","","0.0683","0.065","","","0.196","0.2008","","","","","","1.066","","","","has coordinates,has disorder","277282","2022-08-17","21:56:32",""
"7130541","7.985","0.0016","6.685","0.0013","9.44","0.0019","90","","100.86","0.03","90","","494.88","0.18","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C24 H26 N2 O4 -","2","0.5","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.7108","Synchrotron","","0.0382","0.0372","","","0.1112","0.1126","","","","","","1.103","","","","has coordinates,has disorder","277282","2022-08-17","21:56:32",""
"7130542","11.509","0.002","14.815","0.003","7.056","0.0014","90","","90","","90","","1203.1","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.7108","Synchrotron","","0.0344","0.0343","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","277282","2022-08-17","21:56:32",""
"7130543","18.8169","0.0006","6.4663","0.0002","22.5305","0.0007","90","","96.669","0.003","90","","2722.87","0.15","100.1","0.2","100.1","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 F6 N P -","- C12 H16 F6 N P -","- C96 H128 F48 N8 P8 -","8","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","x-ray","0.56087","AgKα","","0.0406","0.0372","","","0.1046","0.1073","","","","","","1.062","","","","has coordinates","277282","2022-08-17","21:56:33",""
"7130544","6.9742","0.0004","7.0347","0.0004","13.2993","0.0008","93.645","0.002","99.323","0.002","119.262","0.002","553.93","0.06","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B6 Ba2 O13 Zn2 -","- B6 Ba2 O13 Zn2 -","- B12 Ba4 O26 Zn4 -","2","1","","Zhang, Rui; Su, Xin; Zhang, Jie; Wen, Dulin; Huang, Yi-Neng","Ba2Zn2B6O13: Coplanar [B2O5] in Unnoted U-Shaped [B6O13] Groups Achieving Large Birefringence","Chemical Communications","2022","","","","","10.1039/D2CC03529D","","","0.71073","MoKα","","0.025","0.024","","","0.079","0.0797","","","","","","1.04","","","","has coordinates","277283","2022-08-17","21:58:03",""
"7130545","15.6982","0.0009","12.4059","0.0008","7.6199","0.0005","90","","100.261","0.002","90","","1460.24","0.16","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N O3 -","- C18 H12 Cl N O3 -","- C72 H48 Cl4 N4 O12 -","4","1","","Yan, Sheng-Jiao; Chen, Li; Li, Yuan-Da; Lv, Ying; Lu, Zi-Han","Cu-Catalyzed Decarboxylative Annulation of N-Substituted Glycines with 3-Formylchromones: Synthesis of Functionalized Chromeno[2,3-b]pyrrol-4(1H)-ones","Chemical Communications","2022","","","","","10.1039/D2CC03816A","","","0.71073","MoKα","","0.0635","0.0437","","","0.1133","0.1412","","","","","","1.091","","","","has coordinates","277284","2022-08-17","21:58:28",""
"7130546","7.7052","0.0001","7.7052","0.0001","36.3563","0.0005","90","","90","","90","","2158.48","0.05","300","2","300","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","","1.54184","CuKα","","0.0388","0.0363","","","0.0975","0.099","","","","","","1.069","","","","has coordinates","277285","2022-08-17","21:59:04",""
"7130547","7.7025","0.0001","7.7025","0.0001","36.3548","0.0005","90","","90","","90","","2156.88","0.05","301.63","0.1","301.63","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.1065","0.1086","","","","","","1.069","","","","has coordinates","277285","2022-08-17","21:59:07",""
"7130548","7.746","0.0002","7.0232","0.0001","12.3152","0.0003","90","","98.185","0.002","90","","663.14","0.03","301","2","301","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","","1.54184","CuKα","","0.048","0.0476","","","0.1235","0.1243","","","","","","1.12","","","","has coordinates","277285","2022-08-17","21:59:09",""
"7130549","7.7428","0.0003","7.0274","0.0002","12.3154","0.0004","90","","98.214","0.003","90","","663.23","0.04","292.6","0.2","292.6","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Song, Xian-Jiang; Tang, Shu-Yu; Chen, Xiao-Gang; Ai, Yong","Chemical Design Homochiral Heterocyclic Organic Ferroelectric Crystals","Chemical Communications","2022","","","","","10.1039/D2CC03881A","","x-ray","0.71073","MoKα","","0.0275","0.026","","","0.0729","0.074","","","","","","1.049","","","","has coordinates","277285","2022-08-17","21:59:09",""
"7130550","20.5246","0.0007","10.7303","0.0003","9.5805","0.0003","90","","99.499","0.003","90","","2081.03","0.11","290.45","0.1","290.45","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F N O2 S -","- C24 H24 F N O2 S -","- C96 H96 F4 N4 O8 S4 -","4","1","","Liang, Yuqing; Xu, Yi-Xin; Cai, Zhong-Jian; Ji, Shun-Jun","Visible-light photocatalytic radical addition-translocation-cyclization to construct sulfonyl-containing azacycles","Chemical Communications","2022","","","","","10.1039/D2CC03799H","","","1.54184","CuKα","","0.0771","0.0661","","","0.1711","0.1907","","","","","","1.031","","","","has coordinates","277286","2022-08-17","21:59:37",""
"7130551","11.224","0.001","11.5166","0.001","13.5262","0.001","90.56","0.02","112.57","0.02","109.78","0.02","1499.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 B2 F8 Fe N5 Pd -","- C29 H25 B2 F8 Fe N5 Pd -","- C58 H50 B4 F16 Fe2 N10 Pd2 -","2","1","","Li, Zikang; Lau, Mei-Tung; Li, Jiahua; Qiu, Feng; Meng, Zhengong; Wong, Wai-Yeung","Seeded-growth self-assembled polymerization of a ferrocene-bearing palladium(II)-terpyridyl bimetallic complex.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02375j","","","0.71073","MoKα","","0.0582","0.0461","","","0.1101","0.1211","","","","","","1.127","","","","has coordinates","277287","2022-08-17","22:00:02",""
"7130552","8.7776","0.0012","7.9372","0.001","25.632","0.004","90","","90.543","0.005","90","","1785.7","0.4","220","2","220","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C12 H36 Ag Bi Br11.03 Cl0.97 N4 -","- C12 H36 Ag Bi Br11.04 Cl0.96 N4 -","- C24 H72 Ag2 Bi2 Br22.08 Cl1.92 N8 -","2","1","","Siwach, Puneet; Sikarwar, Poonam; Rajput, Shubham Ajaykumar; Antharjanam, P. K. Sudhadevi; Chandiran, Aravind Kumar","Effect of halogenated spacer cation on structural symmetry breaking in 2D halide double perovskites","Chemical Communications","2022","","","","","10.1039/D2CC02747J","","","0.71073","MoKα","","0.0885","0.0787","","","0.2067","0.2195","","","","","","1.09","","","","has coordinates,has disorder","277288","2022-08-17","22:00:46",""
"7130553","8.8204","0.0005","7.9482","0.0006","25.6987","0.0017","90","","91.046","0.002","90","","1801.3","0.2","220","2","220","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C12 H36 Ag Bi Br12 N4 -","- C12 H36 Ag Bi Br12 N4 -","- C24 H72 Ag2 Bi2 Br24 N8 -","2","1","","Siwach, Puneet; Sikarwar, Poonam; Rajput, Shubham Ajaykumar; Antharjanam, P. K. Sudhadevi; Chandiran, Aravind Kumar","Effect of halogenated spacer cation on structural symmetry breaking in 2D halide double perovskites","Chemical Communications","2022","","","","","10.1039/D2CC02747J","","","0.71073","MoKα","","0.0873","0.0736","","","0.1853","0.1966","","","","","","1.082","","","","has coordinates,has disorder","277288","2022-08-17","22:00:46",""
"7130554","8.316","0.0003","10.2395","0.0005","12.7297","0.0006","83.941","0.002","84.824","0.002","74.004","0.002","1034.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Baire, Beeraiah; Roy, Debayan; Tharra, Prabhakararao","An approach to functionalized carbazoles from Z-enoate propargylic alcohols. A unified total synthesis of N-Me-carazostatin, N-Me-carbazoquinocin C and N-Me-Lipocarbazole A4","Chemical Communications","2022","","","","","10.1039/D2CC03526J","","","0.71073","MoKα","","0.0611","0.0403","","","0.0977","0.1103","","","","","","1.026","","","","has coordinates","277289","2022-08-17","22:01:17",""
"7130555","32.0896","0.0006","9.7834","0.0002","20.0973","0.0003","90","","96.478","0.002","90","","6269.2","0.2","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H30 Br Mn N6 O3 -","- C33 H30 Br Mn N6 O3 -","- C264 H240 Br8 Mn8 N48 O24 -","8","2","","Carné-Sánchez, Arnau; Ikemura, Shuya; Sakaguchi, Reiko; Craig, Gavin A.; Furukawa, Shuhei","Photoactive carbon monoxide-releasing coordination polymer particles","Chemical Communications","2022","","","","","10.1039/D2CC03907A","","x-ray","0.71073","MoKα","","0.0583","0.0528","","","0.1341","0.1384","","","","","","1.011","","","","has coordinates","277290","2022-08-17","22:01:45",""
"7130556","35.8398","0.0012","4.6033","0.0001","15.1676","0.0005","90","","112.825","0.002","90","","2306.42","0.12","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 N2 O -","- C35 H24 N2 O -","- C140 H96 N8 O4 -","4","0.5","","Ohata, Jun; Hall, Yvonne D. D.; Uzoewulu, Chiamaka; Nizam, Zeinab M.; Ishizawa, Seiya; El-Shaffey, Hisham","Phosphine-Mediated Three-Component Bioconjugation of Amino- and Azidosaccharides in Ionic Liquids","Chemical Communications","2022","","","","","10.1039/D2CC04013A","","","1.5418","CuKα","","0.0792","0.0643","","0.1829","0.1625","0.1829","","","","","","1.0249","","","","has coordinates","277321","2022-08-19","21:52:41",""
"7130557","25.301","0.002","8.6273","0.0006","25.933","0.002","90","","100.502","0.003","90","","5565.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N O7 S2 -","- C30 H27 N O7 S2 -","- C240 H216 N8 O56 S16 -","8","1","","Jiang, Bo; Ji, Xiao-Shuang; Zuo, Hong-Dong; Shen, Yi-Ting; Hao, Wen-Juan; Tu, Shu-Jiang","Electrochemical selective annulative amino-ketalization and amino-oxygenation of 1,6-enynes","Chemical Communications","2022","","","","","10.1039/D2CC03922B","","","0.71073","MoKα","","0.112","0.0593","","","0.1305","0.1506","","","","","","1.015","","","","has coordinates","277322","2022-08-19","21:53:16",""
"7130558","14.7146","0.0007","9.8698","0.0005","25.4906","0.0012","90","","102.876","0.001","90","","3608.9","0.3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C97 H70 Cl2 O4 -","- C97 H70 Cl2 O4 -","- C194 H140 Cl4 O8 -","2","1","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1388","0.0829","","","0.203","0.2438","","","","","","1.044","","","","has coordinates","277323","2022-08-19","21:54:53",""
"7130559","10.5253","0.0013","12.6297","0.0015","14.6251","0.0016","113.373","0.003","100.425","0.003","100.824","0.004","1681","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 O2 -","- C48 H34 O2 -","- C96 H68 O4 -","2","1","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1803","0.0728","","","0.1206","0.1633","","","","","","1.048","","","","has coordinates","277323","2022-08-19","21:54:53",""
"7130560","28.682","0.002","11.1603","0.0009","27.232","0.003","90","","112.691","0.003","90","","8042.3","1.2","170","","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H34 O2 -","- C48 H34 O2 -","- C384 H272 O16 -","8","2","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1227","0.0704","","","0.1628","0.1987","","","","","","1.018","","","","has coordinates","277323","2022-08-19","21:54:53",""
"7130561","10.2979","0.0005","17.4037","0.001","17.5627","0.0009","69.825","0.002","80.955","0.002","81.076","0.002","2900.4","0.3","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C48 H34 O2 -","- C48 H34 O2 -","- C144 H102 O6 -","3","3","","Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang","Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC04139A","","","0.71073","MoKα","","0.1391","0.1096","","","0.3006","0.3364","","","","","","1.27","","","","has coordinates","277323","2022-08-19","21:54:54",""
"7130562","9.5958","0.00009","11.62912","0.0001","11.80883","0.0001","96.0575","0.0007","90.7961","0.0007","107.81","0.0008","1246.12","0.02","294.4","0.6","294.4","0.6","","","","","","","","4","P -1","-P 1","2","","(1R,2R,3R,4R,5S,6S)-6-hydroxy-6-(2-(pyridin-2-yl)ethyl)cyclohexane-1,2,3,4,5-pentayl pentaacetate","","- C23 H29 N O11 -","- C23 H29 N O11 -","- C46 H58 N2 O22 -","2","1","","Cao, Haonan; Guo, Tianyun; Deng, Xuemei; Huo, Xing; Tang, Shouchu; Liu, Jian; Wang, Xiaolei","Site-selective C–H alkylation of myo-inositol via organic photoredox catalysis","Chemical Communications","2022","","","","","10.1039/D2CC03569C","","x-ray","1.54184","CuKα","","0.0475","0.0458","","","0.1179","0.1191","","","","","","1.052","","","","has coordinates","277324","2022-08-19","21:55:30",""
"7130563","8.4213","0.0003","15.4832","0.0009","14.0343","0.0006","90","","94.125","0.003","90","","1825.17","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br Fe O -","- C23 H19 Br Fe O -","- C92 H76 Br4 Fe4 O4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0814","0.0774","","","0.2037","0.2131","","","","","","1.052","","","","has coordinates","277325","2022-08-19","21:59:05",""
"7130564","13.1689","0.0006","16.769","0.001","16.6399","0.0007","90","","100.403","0.004","90","","3614.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br Fe N -","- C24 H18 Br Fe N -","- C192 H144 Br8 Fe8 N8 -","8","2","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0648","0.0439","","","0.1027","0.116","","","","","","1.145","","","","has coordinates","277325","2022-08-19","21:59:07",""
"7130565","9.2002","0.0005","19.8156","0.0013","10.6277","0.0006","90","","92.43","0.004","90","","1935.8","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B Br F4 Fe -","- C23 H18 B Br F4 Fe -","- C92 H72 B4 Br4 F16 Fe4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0797","0.0742","","","0.2207","0.2267","","","","","","1.059","","","","has coordinates","277325","2022-08-19","21:59:07",""
"7130566","10.1852","0.0008","12.9446","0.0011","13.39","0.002","85.398","0.01","71.395","0.009","70.741","0.007","1578.9","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H33 Fe N2 P -","- C42 H33 Fe N2 P -","- C84 H66 Fe2 N4 P2 -","2","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0496","0.0365","","","0.0906","0.0959","","","","","","1.056","","","","has coordinates","277325","2022-08-19","21:59:08",""
"7130567","8.573","0.0005","16.7375","0.0006","14.4353","0.0008","90","","94.502","0.004","90","","2064.94","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe N2 -","- C24 H20 Fe N2 -","- C96 H80 Fe4 N8 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0794","0.0743","","","0.2069","0.2153","","","","","","1.054","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130568","10.2684","0.0003","16.9671","0.0007","33.776","0.0011","90","","90","","90","","5884.6","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H30 F3 Fe N O3 S -","- C34 H30 F3 Fe N O3 S -","- C272 H240 F24 Fe8 N8 O24 S8 -","8","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","1.54186","CuKα","","0.0637","0.0435","","","0.104","0.1163","","","","","","1.03","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130569","22.178","0.004","8.7425","0.0009","17.501","0.003","90","","100.855","0.014","90","","3332.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Fe N -","- C24 H19 Fe N -","- C192 H152 Fe8 N8 -","8","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.1172","0.0679","","","0.1568","0.1878","","","","","","1.024","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130570","9.2168","0.0007","12.0164","0.001","13.5831","0.001","64.005","0.006","72.937","0.006","88.83","0.007","1282.37","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 B F4 Fe N -","- C31 H28 B F4 Fe N -","- C62 H56 B2 F8 Fe2 N2 -","2","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0434","0.0348","","","0.0892","0.094","","","","","","1.057","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130571","8.9255","0.0009","11.1122","0.0014","14.004","0.004","66.471","0.018","77.129","0.018","76.442","0.009","1224.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H55 B2 F8 Fe2 N2 -","- C59 H55 B2 F8 Fe2 N2 -","- C59 H55 B2 F8 Fe2 N2 -","1","0.5","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0671","0.0426","","","0.0957","0.1053","","","","","","1.017","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130572","21.4874","0.0015","11.2129","0.0013","23.4835","0.0016","90","","96.238","0.006","90","","5624.5","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 Cl Cu Fe N -","- C33 H29 Cl Cu Fe N -","- C264 H232 Cl8 Cu8 Fe8 N8 -","8","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0421","0.037","","","0.1038","0.1069","","","","","","1.059","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130573","9.6742","0.0015","16.056","0.003","15.509","0.003","90","","90.684","0.013","90","","2408.8","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Fe N -","- C33 H29 Fe N -","- C132 H116 Fe4 N4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","1.54186","CuKα","","0.1251","0.0797","","","0.179","0.2101","","","","","","1.082","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130574","14.8451","0.0009","13.9999","0.0011","12.1839","0.0009","90","","90","","90","","2532.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H29 Fe N Se -","- C33 H29 Fe N Se -","- C132 H116 Fe4 N4 Se4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.1103","0.1333","","","","","","1.045","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130575","14.0999","0.0006","12.5596","0.0004","14.9583","0.0005","90","","98.956","0.003","90","","2616.66","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au Cl Fe N -","- C33 H29 Au Cl Fe N -","- C132 H116 Au4 Cl4 Fe4 N4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0363","0.0255","","","0.0582","0.0615","","","","","","1.019","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130576","8.9516","0.0006","12.6216","0.0009","12.8792","0.001","104.324","0.006","96.718","0.006","105.38","0.005","1333.19","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 Cl2 Fe2 N2 O2 Rh2 -","- C68 H58 Cl2 Fe2 N2 O2 Rh2 -","- C68 H58 Cl2 Fe2 N2 O2 Rh2 -","1","0.5","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0848","0.0517","","","0.106","0.1208","","","","","","1.027","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130577","12.226","0.0007","8.7422","0.0004","23.4931","0.0014","90","","97.775","0.005","90","","2487.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Fe N S -","- C33 H29 Fe N S -","- C132 H116 Fe4 N4 S4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.0494","0.0373","","","0.0954","0.1009","","","","","","1.049","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130578","7.6164","0.0003","24.9493","0.0008","13.651","0.0006","90","","91.328","0.003","90","","2593.32","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Fe N O -","- C34 H29 Fe N O -","- C136 H116 Fe4 N4 O4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.1042","0.0538","","","0.1145","0.133","","","","","","0.963","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130579","14.3896","0.0019","13.9176","0.0015","18.1112","0.0017","90","","109.42","0.009","90","","3420.7","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl Fe N O2 Rh -","- C42 H37 Cl Fe N O2 Rh -","- C168 H148 Cl4 Fe4 N4 O8 Rh4 -","4","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","1.54186","CuKα","","0.1044","0.0722","","","0.1869","0.2188","","","","","","1.055","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130580","9.7854","0.0006","16.1188","0.001","18.4923","0.0012","108.724","0.005","89.85","0.005","102.09","0.005","2694.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Fe N O2 Rh -","- C35 H28 Fe N O2 Rh -","- C140 H112 Fe4 N4 O8 Rh4 -","4","2","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","0.71073","MoKα","","0.1227","0.074","","","0.1855","0.2167","","","","","","1.038","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130581","24.8763","0.0007","11.9118","0.0002","24.1323","0.0007","90","","92.528","0.002","90","","7144","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Fe N -","- C33 H29 Fe N -","- C396 H348 Fe12 N12 -","12","3","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","1.54186","CuKα","","0.0454","0.0352","","","0.0853","0.0914","","","","","","1.035","","","","has coordinates","277325","2022-08-19","21:59:10",""
"7130582","9.7593","0.001","12.185","0.0014","13.8693","0.0015","108.767","0.005","107.547","0.004","94.641","0.003","1459.8","0.3","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N6 O7 S3 -","- C20 H26 F6 N6 O7 S3 -","- C40 H52 F12 N12 O14 S6 -","2","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.1125","0.0704","","","0.2162","0.2453","","","","","","1.078","","","","has coordinates","277326","2022-08-19","22:03:02",""
"7130583","8.5676","0.0009","12.7491","0.001","13.1888","0.0013","89.126","0.005","78.034","0.005","87.794","0.005","1408.2","0.2","150.71","","150.71","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 F6 N4 O7 S3 -","- C25 H18 F6 N4 O7 S3 -","- C50 H36 F12 N8 O14 S6 -","2","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.1209","0.054","","","0.106","0.1284","","","","","","1.015","","","","has coordinates,has disorder","277326","2022-08-19","22:03:03",""
"7130584","8.6157","0.0009","11.1675","0.0011","19.509","0.002","94.582","0.004","93.015","0.004","98.97","0.004","1844.2","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F3 O3.5 P S -","- C19 H15 F3 O3.5 P S -","- C76 H60 F12 O14 P4 S4 -","4","2","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.09","0.0469","","","0.1014","0.1178","","","","","","1.021","","","","has coordinates","277326","2022-08-19","22:03:03",""
"7130585","7.9129","0.0003","24.4411","0.001","11.8839","0.0005","90","","93.087","0.003","90","","2295.01","0.16","149.82","","149.82","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu F6 N4 O6 S2 -","- C16 H14 Cu F6 N4 O6 S2 -","- C64 H56 Cu4 F24 N16 O24 S8 -","4","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.084","0.0423","","","0.0833","0.0974","","","","","","1.008","","","","has coordinates","277326","2022-08-19","22:03:03",""
"7130586","16.5696","0.0019","12.2385","0.0013","22.989","0.002","90","","90","","90","","4661.9","0.8","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F6 N4 O7 S3 -","- C16 H14 F6 N4 O7 S3 -","- C128 H112 F48 N32 O56 S24 -","8","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.0907","0.0612","","","0.1444","0.1567","","","","","","1.126","","","","has coordinates","277326","2022-08-19","22:03:03",""
"7130587","29.7305","0.0011","8.0563","0.0003","22.7955","0.0009","90","","128.183","0.002","90","","4291.7","0.3","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 F6 N3 O7 S3 -","- C17 H11 F6 N3 O7 S3 -","- C136 H88 F48 N24 O56 S24 -","8","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.0565","0.0383","","","0.1037","0.1165","","","","","","1.0089","","","","has coordinates,has disorder","277326","2022-08-19","22:03:03",""
"7130588","5.5665","0.0003","23.9215","0.0016","13.9094","0.0009","90","","91.355","0.003","90","","1851.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 F N4 O -","- C22 H17 F N4 O -","- C88 H68 F4 N16 O4 -","4","1","","Zhang, Yi-Kang; Li, Meng; Ruan, Lan; An, Peng","Tetrazole-ene Photoactivatable Fluorophore with Improved Brightness and Stability in Protic Solution","Chemical Communications","2022","","","","","10.1039/D2CC03482D","","","0.71073","MoKα","","0.1634","0.0777","","","0.1981","0.2642","","","","","","1.038","","","","has coordinates","277327","2022-08-19","22:03:54",""
"7130589","8.0328","0.0006","10.5896","0.001","14.2584","0.001","79.176","0.003","77.012","0.003","75.686","0.003","1133.87","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl3 N5 O4 S -","- C18 H18 Cl3 N5 O4 S -","- C36 H36 Cl6 N10 O8 S2 -","2","1","","Zhao, Xiaolei; Yan, Chenxu; Qiu, Wanshan; Yu, Tao; Wang, Wujin; Zhu, Weihong","A pH-activated fluorescence probe via transformation of azo and hydrazone forms for lysosomal pH imaging","Chemical Communications","2022","","","","","10.1039/D2CC03999K","","","0.71073","MoKα","","0.0904","0.0688","","","0.1726","0.1867","","","","","","1.067","","","","has coordinates","277343","2022-08-22","21:50:50",""
"7130590","28.428","0.003","11.5247","0.0012","16.15","0.0018","90","","98.154","0.003","90","","5237.6","1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl N2 Sb -","- C16 H26 Cl N2 Sb -","- C192 H312 Cl12 N24 Sb12 -","12","3","","Sen, Nilanjana; Gothe, Prachi; Sarkar, Pallavi; Das, Shubhajit; Tothadi, Srinu; Pati, Swapan K.; Khan, Shabana","Donor free stibenium cation as efficient cyanosilylation catalyst","Chemical Communications","2022","","","","","10.1039/D2CC03158B","","","0.71073","MoKα","","0.0325","0.0264","","","0.0508","0.0526","","","","","","1.167","","","","has coordinates","277344","2022-08-22","21:51:52",""
"7130591","8.8486","0.0006","11.4722","0.0009","9.9293","0.0008","90","","95.05","0.003","90","","1004.04","0.13","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 F3 N2 O3 S Sb -","- C17 H26 F3 N2 O3 S Sb -","- C34 H52 F6 N4 O6 S2 Sb2 -","2","1","","Sen, Nilanjana; Gothe, Prachi; Sarkar, Pallavi; Das, Shubhajit; Tothadi, Srinu; Pati, Swapan K.; Khan, Shabana","Donor free stibenium cation as efficient cyanosilylation catalyst","Chemical Communications","2022","","","","","10.1039/D2CC03158B","","","0.71073","MoKα","","0.0166","0.015","","","0.0325","0.0331","","","","","","1.077","","","","has coordinates","277344","2022-08-22","21:51:53",""
"7130592","11.2599","0.0014","11.4547","0.0015","16.001","0.002","90","","92.702","0.003","90","","2061.5","0.5","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F6 N2 Sb2 -","- C16 H26 F6 N2 Sb2 -","- C64 H104 F24 N8 Sb8 -","4","1","","Sen, Nilanjana; Gothe, Prachi; Sarkar, Pallavi; Das, Shubhajit; Tothadi, Srinu; Pati, Swapan K.; Khan, Shabana","Donor free stibenium cation as efficient cyanosilylation catalyst","Chemical Communications","2022","","","","","10.1039/D2CC03158B","","","0.71073","MoKα","","0.016","0.0144","","","0.0345","0.0355","","","","","","1.109","","","","has coordinates","277344","2022-08-22","21:51:53",""
"7130593","19.79296","0.00016","12.46075","0.00009","26.05702","0.00019","90","","97.9035","0.0007","90","","6365.53","0.08","120.02","0.1","120.02","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H83 Al N4 O Si2 Zn -","- C51 H75 Al N4 O Si2 Zn -","- C204 H300 Al4 N16 O4 Si8 Zn4 -","4","0.5","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0329","0.0314","","","0.0882","0.0893","","","","","","1.021","","","","has coordinates","277358","2022-08-23","21:51:33",""
"7130594","14.3252","0.0002","19.0153","0.0003","22.8866","0.0003","73.2612","0.0013","86.3624","0.0013","71.2352","0.0015","5649.84","0.15","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C215 H308 Al4 N16 O12 Si8 Zn4 -","- C215 H308 Al4 N16 O12 Si8 Zn4 -","- C215 H308 Al4 N16 O12 Si8 Zn4 -","1","0.5","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0404","0.0352","","","0.0915","0.0955","","","","","","1.018","","","","has coordinates,has disorder","277358","2022-08-23","21:51:39",""
"7130595","11.5558","0.0002","18.8726","0.0003","24.3018","0.0004","90","","90.5318","0.0013","90","","5299.7","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H75 Al Mg N4 O Si2 -","- C51 H75 Al Mg N4 O Si2 -","- C204 H300 Al4 Mg4 N16 O4 Si8 -","4","1","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0491","0.0397","","","0.1021","0.1092","","","","","","1.044","","","","has coordinates","277358","2022-08-23","21:51:40",""
"7130596","19.079","0.0002","26.4548","0.0003","26.1164","0.0003","90","","96.4642","0.001","90","","13098","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H182 Al2 N8 O4 Si4 Zn2 -","- C102 H150 Al2 N8 O4 Si4 Zn2 -","- C408 H600 Al8 N32 O16 Si16 Zn8 -","4","1","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0625","0.0511","","","0.1539","0.1619","","","","","","1.082","","","","has coordinates,has disorder","277358","2022-08-23","21:51:40",""
"7130597","16.8558","0.0007","17.0958","0.0008","19.1","0.0006","115.826","0.004","93.517","0.003","114.756","0.004","4294.2","0.4","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H132 Al2 Mg N4 O13 Si4 -","- C78 H132 Al2 Mg N4 O13 Si4 -","- C156 H264 Al4 Mg2 N8 O26 Si8 -","2","1","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0954","0.0783","","","0.2096","0.2228","","","","","","1.059","","","","has coordinates,has disorder","277358","2022-08-23","21:51:40",""
"7130598","14.56239","0.00017","15.0196","0.0002","25.1167","0.0003","90","","97.885","0.001","90","","5441.62","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 Al N4 O4 Si2 Zn -","- C52 H75 Al N4 O4 Si2 Zn -","- C208 H300 Al4 N16 O16 Si8 Zn4 -","4","1","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.041","0.0337","","","0.0875","0.0933","","","","","","1.012","","","","has coordinates","277358","2022-08-23","21:51:40",""
"7130599","19.0112","0.0004","26.6902","0.0005","26.0942","0.0006","90","","96.081","0.002","90","","13166","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H182 Al2 Mg2 N8 O4 Si4 -","- C102 H150 Al2 Mg2 N8 O4 Si4 -","- C408 H600 Al8 Mg8 N32 O16 Si16 -","4","1","","Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.","Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)","Chemical Communications","2022","","","","","10.1039/D2CC04028J","","x-ray","1.54184","CuKα","","0.0893","0.0679","","","0.1931","0.211","","","","","","0.947","","","","has coordinates","277358","2022-08-23","21:51:40",""
"7130600","14.21","0.0001","15.2504","0.0001","17.8288","0.0001","90","","100.225","0.001","90","","3802.29","0.04","103","6","103","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Cl4 Co2 N2 P2 -","- C40 H41 Cl4 Co2 N2 P2 -","- C160 H164 Cl16 Co8 N8 P8 -","4","1","","Sharma, Anuja; So, Sangho; Kim, Jun-Hyeong; MacMillan, Samantha N.; Baik, Mu-Hyun; Trovitch, Ryan J.","An Aryl Diimine Cobalt(I) Catalyst for Carbonyl Hydrosilylation","Chemical Communications","2022","","","","","10.1039/D2CC04089A","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1142","0.1173","","","","","","1.058","","","","has coordinates","277389","2022-08-24","21:51:14",""
"7130601","17.46782","0.00006","20.13749","0.00009","19.21388","0.00007","90","","92.7683","0.0003","90","","6750.75","0.05","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Co N2 P2 -","- C40 H41 Co N2 P2 -","- C320 H328 Co8 N16 P16 -","8","2","","Sharma, Anuja; So, Sangho; Kim, Jun-Hyeong; MacMillan, Samantha N.; Baik, Mu-Hyun; Trovitch, Ryan J.","An Aryl Diimine Cobalt(I) Catalyst for Carbonyl Hydrosilylation","Chemical Communications","2022","","","","","10.1039/D2CC04089A","","x-ray","1.54184","CuKα","","0.0336","0.0309","","","0.0809","0.0827","","","","","","1.025","","","","has coordinates","277389","2022-08-24","21:51:14",""
"7130602","11.121","0.0007","16.5576","0.001","14.9717","0.0009","90","","102.333","0.003","90","","2693.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O6 -","- C30 H27 Cl N2 O6 -","- C120 H108 Cl4 N8 O24 -","4","1","","Li, Jian; Xiao, Yao; Peng, Xin; Shen, Jie; Cui, Lei; Lu, Shanya; Jia, Xueshun; Li, Chunju","Cascade reaction of o-enoyl arylisocyanide and o-hydroxy aromatic aldimine: a diastereoselective access to polycyclic spirobenzoxazine chromeno[4,3-b]pyrrole derivative","Chemical Communications","2022","","","","","10.1039/D2CC02454C","","","1.54178","CuKα","","0.038","0.0356","","","0.0928","0.0946","","","","","","1.054","","","","has coordinates,has disorder","277402","2022-08-25","21:54:14",""
"7130603","11.35547","0.00013","16.3842","0.00016","12.90723","0.00015","90","","113.063","0.0014","90","","2209.46","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C108 H96 N8 O16 -","4","1","","Li, Jian; Xiao, Yao; Peng, Xin; Shen, Jie; Cui, Lei; Lu, Shanya; Jia, Xueshun; Li, Chunju","Cascade reaction of o-enoyl arylisocyanide and o-hydroxy aromatic aldimine: a diastereoselective access to polycyclic spirobenzoxazine chromeno[4,3-b]pyrrole derivative","Chemical Communications","2022","","","","","10.1039/D2CC02454C","","x-ray","1.54184","CuKα","","0.0395","0.0364","","","0.0921","0.0943","","","","","","1.062","","","","has coordinates","277402","2022-08-25","21:54:15",""
"7130604","5.1547","0.0003","8.9527","0.0005","27.1544","0.0014","90","","90","","90","","1253.13","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","10","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.0609","0.0389","","","0.0896","0.0997","","","","","","1.046","","","","has coordinates","277411","2022-08-26","22:16:47",""
"7130605","9.1212","0.0003","5.4427","0.0002","11.9771","0.0004","90","","104.859","0.001","90","","574.71","0.03","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O -","- C12 H12 Br N O -","- C24 H24 Br2 N2 O2 -","2","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.0297","0.0246","","","0.0513","0.0536","","","","","","1.038","","","","has coordinates","277411","2022-08-26","22:16:48",""
"7130606","20.352","0.006","9.238","0.003","24.982","0.009","90","","113.392","0.007","90","","4311","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C184 H192 Br8 N8 O24 -","8","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.1392","0.0777","","","0.2233","0.2676","","","","","","1.056","","","","has coordinates","277411","2022-08-26","22:16:48",""
"7130607","11.3323","0.0006","11.0667","0.0005","14.5237","0.0008","90","","112.634","0.002","90","","1681.15","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.0605","0.0438","","","0.106","0.1179","","","","","","1.036","","","","has coordinates","277411","2022-08-26","22:16:48",""
"7130608","36.079","0.004","36.079","0.004","36.079","0.004","90","","90","","90","","46964","9","100","","100","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","Y-CU-45","","","- C360 H96 F128 O412.8 Y96 -","- C360 H96 F128 O412.8 Y96 -","- C360 H96 F128 O412.8 Y96 -","1","0.00520833","","Bicalho, Hudson A.; Saraci, Felix; Velazquez-Garcia, Jose de J; Titi, Hatem M.; Howarth, Ashlee J.","Unravelling the synthesis of a rare-earth cluster-based metal-organic framework with spn topology.","Chemical communications (Cambridge, England)","2022","58","78","10925","10928","10.1039/d2cc03575h","","","0.61992","synchrotron","","0.0422","0.0395","","","0.1276","0.1313","","","","","","1.128","","","","has coordinates","278398","2022-10-07","00:41:06",""
"7130609","11.4653","0.0008","17.7458","0.0013","12.8064","0.001","90","","107.437","0.003","90","","2485.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N O -","- C30 H35 N O -","- C120 H140 N4 O4 -","4","1","","Kaliyamoorthy, Alagiri; Rayaroth, Amritha; Elikkottil, Afna; Chithra , M J; A. V. , Kalyanakrishnan; Reddy, Vennapusa Sivaranjana","Regioselective Allenylation and Propargylation of Various para-Quinone Methides Using Alkynyl Azaarenes as Pronucleophile","Chemical Communications","2022","","","","","10.1039/D2CC03439E","","","0.71073","MoKα","","0.0721","0.0427","","","0.0954","0.1114","","","","","","1.016","","","","has coordinates","277413","2022-08-26","22:19:43",""
"7130610","9.5519","0.0012","10.6336","0.0013","14.3558","0.0018","92.316","0.004","109.059","0.004","113.435","0.004","1239.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O -","- C29 H33 N O -","- C58 H66 N2 O2 -","2","1","","Kaliyamoorthy, Alagiri; Rayaroth, Amritha; Elikkottil, Afna; Chithra , M J; A. V. , Kalyanakrishnan; Reddy, Vennapusa Sivaranjana","Regioselective Allenylation and Propargylation of Various para-Quinone Methides Using Alkynyl Azaarenes as Pronucleophile","Chemical Communications","2022","","","","","10.1039/D2CC03439E","","","0.71073","MoKα","","0.0741","0.0487","","","0.1254","0.149","","","","","","1.023","","","","has coordinates","277413","2022-08-26","22:19:43",""
"7130611","13.2143","0.0001","22.6998","0.0001","19.2129","0.0001","90","","96.13","0.001","90","","5730.19","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H75 N5 O3 Si2 U -","- C60 H75 N5 O3 Si2 U -","- C240 H300 N20 O12 Si8 U4 -","4","1","","Valerio, Leyla R.; Hakey, Brett; Brennessel, William W.; Matson, Ellen","Quantitative U=O bond activation in uranyl complexes via silyl radical transfer","Chemical Communications","2022","","","","","10.1039/D2CC04424B","","x-ray","1.54184","CuKα","","0.0308","0.0286","","","0.0763","0.0776","","","","","","1.106","","","","has coordinates","277465","2022-08-30","21:53:57",""
"7130612","30.86731","0.00015","18.79028","0.00009","19.81812","0.00009","90","","97.3495","0.0005","90","","11400.2","0.09","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H57 N7 O2 U -","- C57 H57 N7 O2 U -","- C456 H456 N56 O16 U8 -","8","1","","Valerio, Leyla R.; Hakey, Brett; Brennessel, William W.; Matson, Ellen","Quantitative U=O bond activation in uranyl complexes via silyl radical transfer","Chemical Communications","2022","","","","","10.1039/D2CC04424B","","x-ray","1.54184","CuKα","","0.0295","0.025","","","0.0632","0.0648","","","","","","1.095","","","","has coordinates,has disorder","277465","2022-08-30","21:53:58",""
"7130613","17.01","0.09","27.26","0.14","26.21","0.13","90","","94.7","0.2","90","","12113","11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 Bi10 Br40 O25 -","- C60 Bi10 Br40 O25 -","- C240 Bi40 Br160 O100 -","4","1","","Svensson Grape, Erik; Willhammar, Tom; Inge, Andrew Ken","Triple helix and rod structures of the antiseptic drug bibrocathol revealed by electron crystallography","Chemical Communications","2022","","","","","10.1039/D2CC04209F","","","0.0251","electron","","0.2979","0.2346","","","0.5186","0.5555","","","","","","1.114","","","","has coordinates","277466","2022-08-30","21:55:07",""
"7130614","25.16","0.13","25.16","0.13","13.98","0.07","90","","90","","90","","8850","8","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 Bi Br8 O5 -","- C12 Bi Br8 O5 -","- C192 Bi16 Br128 O80 -","16","1","","Svensson Grape, Erik; Willhammar, Tom; Inge, Andrew Ken","Triple helix and rod structures of the antiseptic drug bibrocathol revealed by electron crystallography","Chemical Communications","2022","","","","","10.1039/D2CC04209F","","","0.0251","electron","","0.2537","0.2112","","","0.4127","0.4293","","","","","","1.122","","","","has coordinates","277466","2022-08-30","21:55:07",""
"7130615","8.0888","0.0005","12.0248","0.0007","8.893","0.0005","90","","110.94","0.003","90","","807.86","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl N2 -","- C8 H7 Cl N2 -","- C32 H28 Cl4 N8 -","4","1","","Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang","N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering","Chemical Communications","2022","","","","","10.1039/D2CC03971K","","x-ray","0.71073","MoKα","","0.0529","0.0358","","","0.0901","0.1022","","","","","","1.076","","","","has coordinates","277467","2022-08-30","21:56:24",""
"7130616","7.9412","0.0015","9.2207","0.0016","10.7738","0.0015","90","","98.837","0.009","90","","779.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl2 N2 -","- C7 H4 Cl2 N2 -","- C28 H16 Cl8 N8 -","4","1","","Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang","N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering","Chemical Communications","2022","","","","","10.1039/D2CC03971K","","x-ray","0.71073","MoKα","","0.079","0.0403","","","0.0788","0.0935","","","","","","1.043","","","","has coordinates","277467","2022-08-30","21:56:25",""
"7130617","9.3593","0.0011","12.3411","0.0018","13.8369","0.0019","90","","90","","90","","1598.2","0.4","296","2","296","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C7 H4 Br Cl N2 -","- C7 H4 Br Cl N2 -","- C56 H32 Br8 Cl8 N16 -","8","1","","Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang","N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering","Chemical Communications","2022","","","","","10.1039/D2CC03971K","","x-ray","0.71073","MoKα","","0.1036","0.047","","","0.0728","0.0851","","","","","","0.983","","","","has coordinates","277467","2022-08-30","21:56:25",""
"7130618","3.9218","0.0004","12.4195","0.0011","18.9195","0.0016","90","","94.528","0.003","90","","918.63","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl3 N2 -","- C8 H5 Cl3 N2 -","- C32 H20 Cl12 N8 -","4","1","","Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang","N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering","Chemical Communications","2022","","","","","10.1039/D2CC03971K","","x-ray","0.71073","MoKα","","0.0477","0.0354","","","0.0787","0.0844","","","","","","1.059","","","","has coordinates","277467","2022-08-30","21:56:25",""
"7130619","9.831","0.004","9.988","0.007","14.908","0.007","91.97","0.02","97.09","0.012","103.993","0.018","1406.4","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C56 H60 N12 O4 S4 -","4","2","","Saha, Shuvendu; Maji, Modhu Sudan","Cp*Co(III)-catalyzed thiocarbamate directed C−H aminocarbonyl-ation, amination, and cascade annulation of pyrroles","Chemical Communications","2022","","","","","10.1039/D2CC03992C","","","0.71073","MoKα","","0.0653","0.0473","","","0.1285","0.1451","","","","","","1.049","","","","has coordinates","277468","2022-08-30","21:57:17",""
"7130620","9.1959","0.0007","9.4051","0.0006","17.0462","0.0015","81.503","0.006","82.539","0.007","82.743","0.006","1437.12","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C56 H60 N12 O4 S4 -","4","2","","Saha, Shuvendu; Maji, Modhu Sudan","Cp*Co(III)-catalyzed thiocarbamate directed C−H aminocarbonyl-ation, amination, and cascade annulation of pyrroles","Chemical Communications","2022","","","","","10.1039/D2CC03992C","","x-ray","0.71073","MoKα","","0.2145","0.0679","","","0.1571","0.2289","","","","","","0.934","","","","has coordinates","277468","2022-08-30","21:57:18",""
"7130621","11.6677","0.0006","16.6259","0.0012","22.4682","0.0015","90","","90","","90","","4358.5","0.5","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Al N S3 -","- C16 H38 Al N S3 -","- C128 H304 Al8 N8 S24 -","8","1","","Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, Kamal; Sawant, Sanghapal D.","Visible-light-promoted iron catalyzed C–H functionalization of 1,4-naphthoquinones via oxidative coupling with sulfoximines","Chemical Communications","2022","","","","","10.1039/D2CC03319D","","","1.54178","CuKα","","0.047","0.0342","","0.0848","0.0757","","","","1.031","1.072","1.072","","","","","has coordinates","277505","2022-08-31","21:53:52",""
"7130622","11.73919","","6.86049","","11.46433","","90","","90","","90","","923.298","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","Cesium-0.31 Potassium-0.69 Hexaselenophosphate","","- Cs0.31 K0.69 P Se6 -","- Cs K P Se6 -","- Cs4 K4 P4 Se24 -","4","1","","Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, Kamal; Sawant, Sanghapal D.","Visible-light-promoted iron catalyzed C–H functionalization of 1,4-naphthoquinones via oxidative coupling with sulfoximines","Chemical Communications","2022","","","","","10.1039/D2CC03319D","","","","","","","","","","","","","","","","","","","","","has coordinates","277505","2022-08-31","21:53:52",""
"7130623","9.817","0.0005","9.5192","0.0005","26.5971","0.0012","90","","96.935","0.002","90","","2467.3","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 Cd N4 O8 -","- C54 H54 Cd N4 O8 -","- C108 H108 Cd2 N8 O16 -","2","0.5","","Cai, Xuting; Xiong, Zuping; Zhan, Jiale; Ping, Xinni; Zhu, Yuqing; Zuo, Jiaqi; Feng, Hui; Qian, Zhaosheng","Dramatic Emission Enhancement of Aggregation-Induced Emission Luminogens by Dynamic Metal Coordination Bonds and Anti-Heavy-Atom Effect","Chemical Communications","2022","","","","","10.1039/D2CC03809A","","","0.71073","MoKα","","0.0455","0.0325","","","0.0778","0.086","","","","","","1.042","","","","has coordinates,has disorder","277506","2022-08-31","21:54:58",""
"7130624","8.1837","0.0018","13.428","0.003","15.086","0.004","86.984","0.008","85.155","0.008","89.371","0.008","1649.6","0.7","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H63 N9 O8 Zn2 -","- C66 H63 N9 O8 Zn2 -","- C66 H63 N9 O8 Zn2 -","1","0.5","","Cai, Xuting; Xiong, Zuping; Zhan, Jiale; Ping, Xinni; Zhu, Yuqing; Zuo, Jiaqi; Feng, Hui; Qian, Zhaosheng","Dramatic Emission Enhancement of Aggregation-Induced Emission Luminogens by Dynamic Metal Coordination Bonds and Anti-Heavy-Atom Effect","Chemical Communications","2022","","","","","10.1039/D2CC03809A","","x-ray","0.71073","MoKα","","0.0665","0.0482","","","0.1368","0.1524","","","","","","1.034","","","","has coordinates,has disorder","277506","2022-08-31","21:55:00",""
"7130625","17.162","0.0012","21.5993","0.0015","8.1568","0.0005","90","","90.374","0.002","90","","3023.6","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H64 Hg2 N4 O12 -","- C64 H64 Hg2 N4 O12 -","- C128 H128 Hg4 N8 O24 -","2","0.25","","Cai, Xuting; Xiong, Zuping; Zhan, Jiale; Ping, Xinni; Zhu, Yuqing; Zuo, Jiaqi; Feng, Hui; Qian, Zhaosheng","Dramatic Emission Enhancement of Aggregation-Induced Emission Luminogens by Dynamic Metal Coordination Bonds and Anti-Heavy-Atom Effect","Chemical Communications","2022","","","","","10.1039/D2CC03809A","","x-ray","0.71073","MoKα","","0.0518","0.0361","","","0.0728","0.0795","","","","","","1.077","","","","has coordinates,has disorder","277506","2022-08-31","21:55:00",""
"7130626","11.7964","0.0002","12.7829","0.0002","16.2814","0.0003","90","","90","","90","","2455.11","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O7 -","- C29 H23 N O7 -","- C116 H92 N4 O28 -","4","1","","Li, Ning; Lu, Wenjing; Gu, Weizhi; Li, Kuiliang; Li, Jindong; Lu, Yangmian; Zha, Zhenggen; Wang, Zhiyong","Construction of spirocyclic oxindole derivatives by copper-catalyzed enantioselective Michael/hemiketalization in aqueous media.","Chemical communications (Cambridge, England)","2022","58","78","10957","10960","10.1039/d2cc04370j","","x-ray","1.54184","CuKα","","0.0555","0.045","","","0.1112","0.1194","","","","","","1.067","","","","has coordinates","278403","2022-10-07","00:43:11",""
"7130627","26.1313","0.0009","18.4166","0.0006","16.7444","0.0005","90","","92.392","0.003","90","","8051.2","0.5","200.1","0.9","200.1","0.9","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 Cl8 Ir2 N6 O4 -","- C58 H56 Cl8 Ir2 N6 O4 -","- C232 H224 Cl32 Ir8 N24 O16 -","4","0.5","","Gutiérrez-Peña, Cristian L.; Poyatos, Macarena; Peris, Eduardo","A redox-switchable catalyst with an ‘unplugged’ redox tag","Chemical Communications","2022","","","","","10.1039/D2CC02497G","","x-ray","1.54184","CuKα","","0.0682","0.0577","","","0.1894","0.2028","","","","","","1.087","","","","has coordinates","277561","2022-09-01","21:53:19",""
"7130628","7.1738","0.0008","8.3136","0.001","19.948","0.003","90","","95.253","0.004","90","","1184.7","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.1639","0.0704","","","0.1654","0.2094","","","","","","1.069","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130629","7.1538","0.0011","8.258","0.0014","19.83","0.003","90","","95.353","0.005","90","","1166.4","0.3","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.1026","0.0715","","","0.1668","0.183","","","","","","1.107","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130630","6.2935","0.0003","11.7191","0.0005","15.8519","0.0007","90","","90","","90","","1169.14","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.0583","0.0392","","","0.0835","0.0945","","","","","","1.045","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130631","6.274","0.0004","11.6263","0.0007","15.694","0.0009","90","","90","","90","","1144.77","0.12","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.0711","0.0435","","","0.0845","0.0975","","","","","","1.075","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130632","21.8743","0.001","5.4117","0.0002","16.0179","0.0007","90","","94.488","0.004","90","","1890.34","0.14","119.97","0.11","119.97","0.11","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","","Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren","Photo-induced metal-free dehydrogenative N-N homo-coupling.","Chemical communications (Cambridge, England)","2022","58","78","10977","10980","10.1039/d2cc04204e","","x-ray","0.71073","MoKα","","0.0493","0.0446","","","0.1152","0.1192","","","","","","1.096","","","","has coordinates","278402","2022-10-07","00:43:01",""
"7130633","10.5392","0.0007","14.9833","0.0009","27.796","0.0016","90","","90","","90","","4389.3","0.5","120","0.1","120","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H12 Br4 N -","- C25 H12 Br4 N -","- C200 H96 Br32 N8 -","8","1","","Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren","Photo-induced metal-free dehydrogenative N-N homo-coupling.","Chemical communications (Cambridge, England)","2022","58","78","10977","10980","10.1039/d2cc04204e","","x-ray","0.71073","MoKα","","0.0882","0.0516","","","0.1052","0.1216","","","","","","1.07","","","","has coordinates","278402","2022-10-07","00:43:01",""
"7130634","12.6606","0.0001","35.4705","0.0002","12.0147","0.0001","90","","90","","90","","5395.54","0.07","229.99","0.1","229.99","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C288 H240 N24 -","12","1.5","","Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren","Photo-induced metal-free dehydrogenative N-N homo-coupling.","Chemical communications (Cambridge, England)","2022","58","78","10977","10980","10.1039/d2cc04204e","","x-ray","1.54184","CuKα","","0.0299","0.0289","","","0.0763","0.0776","","","","","","1.045","","","","has coordinates","278402","2022-10-07","00:43:01",""
"7130635","14.604","0.0002","16.8168","0.0002","17.4073","0.0002","90","","99.876","0.0012","90","","4211.75","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H67 Al Fe N3 P3 -","- C39 H67 Al Fe N3 P3 -","- C156 H268 Al4 Fe4 N12 P12 -","4","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0521","0.0385","","","0.0893","0.0968","","","","","","1.031","","","","has coordinates","277602","2022-09-02","21:58:03",""
"7130636","22.1904","0.0004","11.6107","0.0002","17.3595","0.0003","90","","103.656","0.002","90","","4346.17","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H71 Al Fe N4 O0.5 P3 -","- C39 H71 Al Fe N4 O0.5 P3 -","- C156 H284 Al4 Fe4 N16 O2 P12 -","4","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0986","0.0623","","","0.1606","0.1749","","","","","","0.941","","","","has coordinates,has disorder","277602","2022-09-02","21:58:03",""
"7130637","12.84139","0.00014","18.42462","0.00019","17.8629","0.0002","90","","102.324","0.0011","90","","4128.94","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Al Fe N3 P3 -","- C38 H65 Al Fe N3 P3 -","- C152 H260 Al4 Fe4 N12 P12 -","4","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0442","0.035","","","0.086","0.0933","","","","","","1.022","","","","has coordinates","277602","2022-09-02","21:58:03",""
"7130638","12.86606","0.00017","18.343","0.0002","18.3536","0.0003","90","","103.061","0.0014","90","","4219.43","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H67 Al Fe N3 P3 -","- C39 H67 Al Fe N3 P3 -","- C156 H268 Al4 Fe4 N12 P12 -","4","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.06","0.046","","","0.1127","0.1265","","","","","","1.03","","","","has coordinates","277602","2022-09-02","21:58:03",""
"7130639","16.6412","0.0004","30.2391","0.0008","16.654","0.0008","90","","90","","90","","8380.5","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C38 H65 Al Fe N3 P3 -","- C38 H65 Al Fe N3 P3 -","- C304 H520 Al8 Fe8 N24 P24 -","8","0.5","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0797","0.0511","","","0.1152","0.1376","","","","","","1.042","","","","has coordinates,has disorder","277602","2022-09-02","21:58:03",""
"7130640","20.9505","0.0004","15.47","0.0003","22.5791","0.0004","90","","92.0326","0.0015","90","","7313.4","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H58 Al Fe N2 P3 -","- C32 H58 Al Fe N2 P3 -","- C256 H464 Al8 Fe8 N16 P24 -","8","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0618","0.0487","","","0.1193","0.129","","","","","","1.027","","","","has coordinates,has disorder","277602","2022-09-02","21:58:03",""
"7130641","9.8273","0.0004","32.5702","0.001","11.6532","0.0004","90","","101.048","0.004","90","","3660.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Zn-PTIA-TPT","pMOF","","- C62 H66 N24 O25 Zn4 -","- C62 H66 N24 O25 Zn4 -","- C124 H132 N48 O50 Zn8 -","2","1","","Zhang, Hao; Zhang, Ling-hua; Zhong, Yue; Zhou, Jiaqi; Li, Yuanyuan; Zhang, Ping; Xi, Junting; Shi, Wei; Qian, Hai","A radical photochromic metal-organic framework for boosting NIR-II photothermal conversion and therapy","Chemical Communications","2022","","","","","10.1039/D2CC04064F","","","1.54178","CuKα","","0.0649","0.0518","","","0.1261","0.1359","","","","","","1.051","","","","has coordinates","277603","2022-09-02","21:59:03",""
"7130642","12.1154","0.0011","34.301","0.003","14.2847","0.0014","90","","92.73","0.004","90","","5929.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H37 B Bi Cl2 F24 N5 -","- C57 H37 B Bi Cl2 F24 N5 -","- C228 H148 B4 Bi4 Cl8 F96 N20 -","4","1","","Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin","Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.","Chemical communications (Cambridge, England)","2022","58","70","9826","9829","10.1039/d2cc04017d","","","0.71073","MoKα","","0.1338","0.0594","","","0.0938","0.1167","","","","","","1.015","","","","has coordinates","277617","2022-09-05","02:17:31",""
"7130643","8.9149","0.0013","9.1675","0.0016","11.3283","0.0018","106.444","0.008","90.005","0.007","117.801","0.007","775.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Bi2 I6 N4 -","- C20 H20 Bi2 I6 N4 -","- C20 H20 Bi2 I6 N4 -","1","0.5","","Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin","Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.","Chemical communications (Cambridge, England)","2022","58","70","9826","9829","10.1039/d2cc04017d","","","0.71073","MoKα","","0.0376","0.0323","","","0.0631","0.065","","","","","","1.077","","","","has coordinates","277617","2022-09-05","02:17:32",""
"7130644","7.5209","0.0013","16.657","0.002","13.686","0.002","90","","93.262","0.01","90","","1711.7","0.4","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C10 H10 Bi Br3 N2 -","- C10 H10 Bi Br3 N2 -","- C40 H40 Bi4 Br12 N8 -","4","0.5","","Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin","Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.","Chemical communications (Cambridge, England)","2022","58","70","9826","9829","10.1039/d2cc04017d","","","0.71073","MoKα","","0.0137","0.0135","","","0.0378","0.0379","","","","","","1.022","","","","has coordinates","277617","2022-09-05","02:17:32",""
"7130645","14.61","0.005","16.55","0.006","7.346","0.003","90","","114.522","0.007","90","","1616","1","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Bi2 Cl6 N4 -","- C20 H20 Bi2 Cl6 N4 -","- C40 H40 Bi4 Cl12 N8 -","2","0.25","","Ramler, Jacqueline; Stoy, Andreas; Preitschopf, Tobias; Kettner, Janosch; Fischer, Ingo; Roling, Bernhard; Fantuzzi, Felipe; Lichtenberg, Crispin","Dihalo bismuth cations: unusual coordination properties and inverse solvent effects in Lewis acidity.","Chemical communications (Cambridge, England)","2022","58","70","9826","9829","10.1039/d2cc04017d","","","0.71073","MoKα","","0.0662","0.045","","","0.094","0.1023","","","","","","0.967","","","","has coordinates","277617","2022-09-05","02:17:33",""
"7130646","26.2351","0.001","28.6675","0.001","36.1762","0.0013","90","","101.005","0.007","90","","26707.6","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H129 N22 O14 Zn2 -","- C86 H87 N8 O14 Zn2 -","- C688 H696 N64 O112 Zn16 -","8","1","","Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu","Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.","Chemical communications (Cambridge, England)","2022","58","64","9026","9029","10.1039/d2cc02772k","","","0.4128","synchrotron","","0.143","0.0997","","","0.2859","0.3187","","","","","","1.047","","","","has coordinates","277618","2022-09-05","02:28:07",""
"7130647","26.173","0.013","28.219","0.014","35.844","0.018","90","","104.199","0.007","90","","25665","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95.5 H106 Cl19 N8 O14 Zn2 -","- C86 H87 N8 O14 Zn2 -","- C688 H696 N64 O112 Zn16 -","8","1","","Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu","Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.","Chemical communications (Cambridge, England)","2022","58","64","9026","9029","10.1039/d2cc02772k","","","0.4125","synchrotron","","0.1483","0.1146","","","0.3275","0.3471","","","","","","1.141","","","","has coordinates,has disorder","277618","2022-09-05","02:28:08",""
"7130648","26.1988","0.0009","28.612","0.0009","36.1248","0.001","90","","103.038","0.003","90","","26381.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C121 H127 N8 O14 Zn2 -","- C86 H87 N8 O14 Zn2 -","- C688 H696 N64 O112 Zn16 -","8","1","","Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu","Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.","Chemical communications (Cambridge, England)","2022","58","64","9026","9029","10.1039/d2cc02772k","","x-ray","0.71073","MoKα","","0.1369","0.0934","","","0.2933","0.3228","","","","","","1.075","","","","has coordinates,has disorder","277618","2022-09-05","02:28:08",""
"7130649","26.112","0.011","28.57","0.017","36.062","0.014","90","","102.016","0.01","90","","26314","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C131 H177 N8 O29 Zn2 -","- C86 H87 N8 O14 Zn2 -","- C688 H696 N64 O112 Zn16 -","8","1","","Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu","Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.","Chemical communications (Cambridge, England)","2022","58","64","9026","9029","10.1039/d2cc02772k","","","0.4128","synchrotron","","0.1269","0.0904","","","0.2673","0.2888","","","","","","0.972","","","","has coordinates,has disorder","277618","2022-09-05","02:28:08",""
"7130650","24.9389","0.0012","29.7495","0.001","36.3325","0.0011","90","","96.591","0.003","90","","26777.6","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H115 N12 O18 Zn2 -","- C86 H87 N8 O14 Zn2 -","- C688 H696 N64 O112 Zn16 -","8","1","","Wang, Ping; Xue, Ziqian; Ken-Ichi, Otake; Kitagawa, Susumu","Nitroxyl radical-containing flexible porous coordination polymer for controllable size-aelective aerobic oxidation of alcohols.","Chemical communications (Cambridge, England)","2022","58","64","9026","9029","10.1039/d2cc02772k","","x-ray","0.71073","MoKα","","0.2014","0.1187","","","0.326","0.3887","","","","","","1.043","","","","has coordinates","277618","2022-09-05","02:28:08",""
"7130651","10.8179","0.0002","20.9974","0.0005","13.8796","0.0002","90","","112.673","0.001","90","","2909.08","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C63 H89 N3 O10 -","- C63 H89 N3 O10 -","- C126 H178 N6 O20 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0394","0.0365","","","0.0881","0.0902","","","","","","1.024","","","","has coordinates","277619","2022-09-05","02:30:51",""
"7130652","6.9728","0.0005","16.9243","0.0013","21.2573","0.0015","90","","90","","90","","2508.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N2 O4 V -","- C28 H31 N2 O4 V -","- C112 H124 N8 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0877","0.0616","","","0.1505","0.1684","","","","","","0.931","","","","has coordinates","277619","2022-09-05","02:31:05",""
"7130653","20.07","0.002","8.2","0.0008","15.4395","0.0016","90","","123.721","0.006","90","","2113.4","0.4","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H28 N O4 V -","- C22 H28 N O4 V -","- C88 H112 N4 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0451","0.0324","","","0.0755","0.081","","","","","","1.032","","","","has coordinates","277619","2022-09-05","02:31:15",""
"7130654","12.4889","0.0007","7.0833","0.0004","28.1105","0.0016","90","","93.256","0.002","90","","2482.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H70 N4 O7 -","- C56 H70 N4 O7 -","- C112 H140 N8 O14 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.05","0.0476","","","0.1241","0.1266","","","","","","1.04","","","","has coordinates","277619","2022-09-05","02:31:20",""
"7130655","8.3617","0.0012","9.8925","0.0016","25.026","0.004","90","","90","","90","","2070.1","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N O4 V -","- C21 H26 N O4 V -","- C84 H104 N4 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0743","0.0448","","","0.1044","0.1263","","","","","","1.163","","","","has coordinates","277619","2022-09-05","02:31:32",""
"7130656","10.9618","0.0008","21.0542","0.0014","14.0676","0.0009","90","","111.39","0.002","90","","3023.1","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C63 H89 N3 O10 -","- C63 H88.988 N3 O9.994 -","- C126 H177.976 N6 O19.988 -","2","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0469","0.041","","","0.1004","0.1058","","","","","","1.066","","","","has coordinates,has disorder","277619","2022-09-05","02:31:37",""
"7130657","8.4626","0.0005","11.4719","0.0007","22.4492","0.0015","90","","90","","90","","2179.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N2 O4 V -","- C23 H29 N2 O4 V -","- C92 H116 N8 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0307","0.026","","","0.0634","0.0665","","","","","","1.06","","","","has coordinates","277619","2022-09-05","02:31:51",""
"7130658","41.05","0.005","19.763","0.002","29.763","0.004","90","","110.885","0.005","90","","22559","5","296","","296.3","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C52 H148 As4 Cl4 N16 Na5.34 O192 Rh5.66 S2 W40 -","- C52 H48 As4 Cl4 N16 Na5.34 O146 Rh5.66 S2 W40 -","- C208 H192 As16 Cl16 N64 Na21.36 O584 Rh22.64 S8 W160 -","4","0.5","","Chen, Wenjing; Li, Huafeng; Jin, Yuzhen; Wu, Che; Yuan, Zelong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","An intriguing tetranuclear Rh-based polyoxometalate for the reduction of nitroarene and oxidation of aniline.","Chemical communications (Cambridge, England)","2022","58","71","9902","9905","10.1039/d2cc03076d","","","0.71073","MoKα","","0.0579","0.0402","","","0.0987","0.1101","","","","","","1.049","","","","has coordinates,has disorder","277620","2022-09-05","02:35:08",""
"7130659","11.8089","0.0009","12.2573","0.001","17.3475","0.0015","80.827","0.003","78.14","0.003","66.538","0.003","2245.8","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H43 Cl4 N3 Ni S -","- C51 H43 Cl4 N3 Ni S -","- C102 H86 Cl8 N6 Ni2 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.71073","MoKα","","0.1439","0.1028","","","0.2512","0.2839","","","","","","1.043","","","","has coordinates,has disorder","277621","2022-09-05","02:38:16",""
"7130660","14.864","0.003","23.185","0.004","21.949","0.004","90","","90","","90","","7564","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H36 Cl N3 Ni O S -","- C48 H36 Cl N3 Ni O S -","- C384 H288 Cl8 N24 Ni8 O8 S8 -","8","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.4125","Synchrotron","","0.04","0.0391","","","0.0938","0.0944","","","","","","1.085","","","","has coordinates,has disorder","277621","2022-09-05","02:38:16",""
"7130661","12.3536","0.0004","13.2407","0.0004","14.7731","0.0005","83.126","0.003","84.024","0.003","81.561","0.003","2363.86","0.13","90","2","90","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H35 B Cl F6 N5 Ni O3 S -","- C55 H35 B Cl F6 N5 Ni O3 S -","- C110 H70 B2 Cl2 F12 N10 Ni2 O6 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.81063","Synchrotron","","0.0559","0.0519","","","0.1183","0.1206","","","","","","1.127","","","","has coordinates,has disorder","277621","2022-09-05","02:38:17",""
"7130662","13.2112","0.0003","15.9096","0.0004","16.7024","0.0004","62.936","0.002","87.227","0.002","74.503","0.002","3001.55","0.14","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H33 B Cl F20 N3 Ni S -","- C74 H33 B Cl F20 N3 Ni S -","- C148 H66 B2 Cl2 F40 N6 Ni2 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.81106","Synchrotron","","0.0691","0.0673","","","0.1463","0.1474","","","","","","1.066","","","","has coordinates,has disorder","288176","2023-12-08","08:35:41",""
"7130663","13.066","0.003","13.295","0.003","15.987","0.004","113.935","0.009","91.484","0.008","92.34","0.008","2533.5","1","90","2","90","2","","","","","","","","9","P -1","-P 1","2","","","","- C56.28 H39.56 B Cl3.56 F2 N5 Ni O2 S -","- C56.258 H39.516 B Cl3.516 F2 N5 Ni O2 S -","- C112.516 H79.032 B2 Cl7.032 F4 N10 Ni2 O4 S2 -","2","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.71073","MoKα","","0.1187","0.0963","","","0.2626","0.2881","","","","","","1.016","","","","has coordinates,has disorder","277621","2022-09-05","02:38:17",""
"7130664","13.771","0.003","16.0517","0.0019","19.023","0.003","90","","90.485","0.006","90","","4204.8","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl4 F6 N3 Ni P S -","- C46 H32 Cl4 F6 N3 Ni P S -","- C184 H128 Cl16 F24 N12 Ni4 P4 S4 -","4","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.4125","Synchrotron","","0.0771","0.0764","","","0.18","0.1804","","","","","","1.06","","","","has coordinates,has disorder","277621","2022-09-05","02:38:17",""
"7130665","13.9345","0.0012","15.3744","0.0014","24.075","0.002","79.22","0.004","89.861","0.003","69.239","0.004","4726.2","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Cl4 N8 Ni S -","- C56 H32 Cl4 N8 Ni S -","- C224 H128 Cl16 N32 Ni4 S4 -","4","2","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.71073","MoKα","","0.1349","0.0811","","","0.1775","0.2069","","","","","","1.049","","","","has coordinates,has disorder","277621","2022-09-05","02:38:17",""
"7130666","12.962","0.009","17.107","0.012","27.519","0.015","90","","102.088","0.018","90","","5967","7","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 B Cl9 F2 N5 Ni O2 S -","- C65 H53 B Cl9 F2 N5 Ni O2 S -","- C260 H212 B4 Cl36 F8 N20 Ni4 O8 S4 -","4","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.4127","Synchrotron","","0.1089","0.1067","","","0.3905","0.3949","","","","","","1.997","","","","has coordinates,has disorder","277621","2022-09-05","02:38:17",""
"7130667","7.7171","0.0008","8.91","0.0007","12.9401","0.0008","82.729","0.006","84.143","0.007","80.754","0.008","868.09","0.13","149.9","0.2","149.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Br O Si -","- C17 H25 Br O Si -","- C34 H50 Br2 O2 Si2 -","2","1","","Fernández-Canelas, Paula; Miguélez, Rubén; Rubio, Eduardo; González, José Manuel; Barrio, Pablo","Intramolecular activation of strong Si-O bonds by gold(I): regioselective synthesis of 3-bromo-2-silylbenzofurans.","Chemical communications (Cambridge, England)","2022","58","66","9250","9253","10.1039/d2cc03060h","","","1.54184","CuKα","","0.0595","0.0543","","","0.1557","0.17","","","","","","1.137","","","","has coordinates","277622","2022-09-05","02:41:10",""
"7130668","12.526","0.0009","19.107","0.0014","18.9963","0.0014","90","","92.192","0.001","90","","4543.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H81 O3 Y3 -","- C46 H81 O3 Y3 -","- C184 H324 O12 Y12 -","4","1","","Buschmann, Dennis A.; Schumacher, Lion; Anwander, Reiner","Rare-earth-metal half-sandwich complexes incorporating methyl, methylidene, and hydrido ligands.","Chemical communications (Cambridge, England)","2022","58","65","9132","9135","10.1039/d2cc03532d","","","0.71073","MoKα","","0.0592","0.0343","","","0.0707","0.0789","","","","","","1.008","","","","has coordinates,has disorder","277623","2022-09-05","02:45:33",""
"7130669","11.3103","0.0007","11.9001","0.0007","21.1333","0.0012","97.942","0.002","91.931","0.002","114.983","0.002","2540.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H81 Dy3 O3 -","- C46 H81 Dy3 O3 -","- C92 H162 Dy6 O6 -","2","1","","Buschmann, Dennis A.; Schumacher, Lion; Anwander, Reiner","Rare-earth-metal half-sandwich complexes incorporating methyl, methylidene, and hydrido ligands.","Chemical communications (Cambridge, England)","2022","58","65","9132","9135","10.1039/d2cc03532d","","","0.71073","MoKα","","0.0491","0.0332","","","0.0697","0.0763","","","","","","1.019","","","","has coordinates","277623","2022-09-05","02:45:34",""
"7130670","43.7224","0.0017","14.194","0.0006","8.7864","0.0003","90","","90","","90","","5452.8","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C256 H224 N32 O32 -","16","1","","Yuan, Sitian; Liu, Yi; Ni, Mengjia; Hao, Tianxin; Peng, Yiyuan; Ding, Qiuping","Fe(acac)<sub>2</sub>/TBHP-promoted synthesis of 11-functionalized dibenzodiazepines <i>via</i> alkoxycarbonylation and carboxamidation of <i>o</i>-isocyanodiaryl amines.","Chemical communications (Cambridge, England)","2022","58","78","10985","10988","10.1039/d2cc04348c","","x-ray","0.71073","MoKα","","0.0358","0.0344","","","0.0819","0.0829","","","","","","0.93","","","","has coordinates","278400","2022-10-07","00:41:54",""
"7130671","8.4266","0.0007","13.3424","0.0011","13.1891","0.0012","90","","95.252","0.009","90","","1476.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Yuan, Sitian; Liu, Yi; Ni, Mengjia; Hao, Tianxin; Peng, Yiyuan; Ding, Qiuping","Fe(acac)<sub>2</sub>/TBHP-promoted synthesis of 11-functionalized dibenzodiazepines <i>via</i> alkoxycarbonylation and carboxamidation of <i>o</i>-isocyanodiaryl amines.","Chemical communications (Cambridge, England)","2022","58","78","10985","10988","10.1039/d2cc04348c","","x-ray","0.71073","MoKα","","0.0672","0.0515","","","0.1212","0.1309","","","","","","1.033","","","","has coordinates","278400","2022-10-07","00:41:55",""
"7130672","14.0671","0.0018","9.5855","0.0011","17.307","0.003","90","","110.01","0.005","90","","2192.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F3 N O3 S Sb -","- C19 H23 F3 N O3 S Sb -","- C76 H92 F12 N4 O12 S4 Sb4 -","4","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0458","0.0304","","","0.0645","0.0709","","","","","","1.024","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130673","8.6015","0.0006","12.9734","0.0009","15.5648","0.001","90","","103.132","0.002","90","","1691.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N Sb -","- C17 H21 Cl N Sb -","- C68 H84 Cl4 N4 Sb4 -","4","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0297","0.0235","","","0.0563","0.0592","","","","","","1.075","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130674","12.3903","0.0018","15.266","0.002","17.646","0.003","99.484","0.005","109.81","0.005","106.208","0.004","2888.5","0.8","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H33 Al Cl2 F36 N O5 Sb -","- C47 H33 Al Cl2 F36 N O5 Sb -","- C94 H66 Al2 Cl4 F72 N2 O10 Sb2 -","2","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0809","0.053","","","0.1135","0.1319","","","","","","1.041","","","","has coordinates,has disorder","278399","2022-10-07","00:41:35",""
"7130675","8.7795","0.0016","9.5084","0.0015","20.932","0.004","90","","99.156","0.006","90","","1725.1","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl N Sb -","- C18 H23 Cl N Sb -","- C72 H92 Cl4 N4 Sb4 -","4","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0325","0.0252","","","0.0566","0.0594","","","","","","1.045","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130676","13.7542","0.0011","14.4647","0.0012","15.6531","0.0013","97.575","0.003","112.199","0.002","98.467","0.003","2791.5","0.4","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33 Al F36 N O5 Sb -","- C47 H33 Al F36 N O5 Sb -","- C94 H66 Al2 F72 N2 O10 Sb2 -","2","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0397","0.0312","","","0.0693","0.0747","","","","","","1.031","","","","has coordinates,has disorder","278399","2022-10-07","00:41:35",""
"7130677","12.346","0.0007","22.8428","0.0013","17.8648","0.001","90","","103.197","0.002","90","","4905.1","0.5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 B Cl8 N O P Sb -","- C47 H48 B Cl8 N O P Sb -","- C188 H192 B4 Cl32 N4 O4 P4 Sb4 -","4","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0511","0.0362","","","0.0841","0.0927","","","","","","1.049","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130678","8.401","0.005","9.453","0.006","25.467","0.016","90","","96.737","0.013","90","","2008","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 F3 N O3 S Sb -","- C18 H21 F3 N O3 S Sb -","- C72 H84 F12 N4 O12 S4 Sb4 -","4","1","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0789","0.0624","","","0.1376","0.1454","","","","","","1.166","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130679","20.494","0.0018","12.5955","0.0011","20.8355","0.0018","90","","100.742","0.002","90","","5284.1","0.8","140","2","140","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H52 B Cl10 N O P Sb -","- C49 H52 B Cl10 N O P Sb -","- C196 H208 B4 Cl40 N4 O4 P4 Sb4 -","4","2","","Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay","Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.","Chemical communications (Cambridge, England)","2022","58","78","11009","11012","10.1039/d2cc04027a","","","0.71073","MoKα","","0.0614","0.044","","","0.0854","0.092","","","","","","1.037","","","","has coordinates","278399","2022-10-07","00:41:35",""
"7130680","6.1897","0.0015","16.131","0.004","14.212","0.004","90","","90.346","0.009","90","","1419","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H12 N2 O2 -","- C6 H12 N2 O2 -","- C48 H96 N16 O16 -","8","4","","Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo","Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence","Chemical Communications","2022","","","","","10.1039/D2CC04521D","","","0.71073","MoKα","","0.1122","0.0818","","","0.2114","0.2454","","","","","","1.036","","","","has coordinates","277635","2022-09-05","21:56:04",""
"7130681","4.8117","0.0014","5.783","0.0018","13.449","0.004","84.087","0.007","87.255","0.007","83.055","0.007","369.27","0.19","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H16 Cl2 N2 O2 -","- C15 H16 Cl2 N2 O2 -","- C15 H16 Cl2 N2 O2 -","1","1","","Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo","Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence","Chemical Communications","2022","","","","","10.1039/D2CC04521D","","","0.71073","MoKα","","0.0615","0.0403","","","0.0679","0.0775","","","","","","1.007","","","","has coordinates","277635","2022-09-05","21:56:05",""
"7130682","5.797","0.002","9.419","0.003","25.137","0.008","100.79","0.009","89.021","0.01","90.079","0.009","1348.1","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","2","","Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo","Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence","Chemical Communications","2022","","","","","10.1039/D2CC04521D","","","0.71076","MoKα","","0.1614","0.0647","","","0.1333","0.1571","","","","","","1.039","","","","has coordinates","277635","2022-09-05","21:56:05",""
"7130683","7.333","0.006","24.251","0.018","8.222","0.004","90","","101.073","0.016","90","","1434.9","1.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","FeIII(acacen)(Cl)","","- C12 H18 Cl Fe N2 O2 -","- C12 H18 Cl Fe N2 O2 -","- C48 H72 Cl4 Fe4 N8 O8 -","4","1","","Shen, Chang; Dagnaw, Wasihun Menberu; Fong, Ching Wai; Lau, Kai Chung; Chow, Cheuk-Fai","Selective functionalization of C(sp3)–H bonds: catalytic chlorination and bromination by IronIII-acacen-halide under ambient condition","Chemical Communications","2022","","","","","10.1039/D2CC02924C","","","0.71073","MoKα","","0.0359","0.0326","","","0.0831","0.0852","","","","","","1.088","","","","has coordinates,has disorder","277713","2022-09-07","22:00:03",""
"7130684","7.3529","0.0016","24.649","0.005","8.2656","0.0014","90","","101.458","0.005","90","","1468.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","FeIII(acacen)(Br)","","- C12 H18 Br Fe N2 O2 -","- C12 H18 Br Fe N2 O2 -","- C48 H72 Br4 Fe4 N8 O8 -","4","1","","Shen, Chang; Dagnaw, Wasihun Menberu; Fong, Ching Wai; Lau, Kai Chung; Chow, Cheuk-Fai","Selective functionalization of C(sp3)–H bonds: catalytic chlorination and bromination by IronIII-acacen-halide under ambient condition","Chemical Communications","2022","","","","","10.1039/D2CC02924C","","","0.71073","MoKα","","0.048","0.036","","","0.0856","0.0907","","","","","","1.101","","","","has coordinates,has disorder","277713","2022-09-07","22:00:04",""
"7130685","11.898","0.003","15.695","0.004","18.524","0.005","74.294","0.008","76.163","0.008","67.892","0.007","3048.4","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[FeIII(acacen)]2–(μO)","","- C25 H38 Cl2 Fe2 N4 O5 -","- C25 H38 Cl2 Fe2 N4 O5 -","- C100 H152 Cl8 Fe8 N16 O20 -","4","2","","Shen, Chang; Dagnaw, Wasihun Menberu; Fong, Ching Wai; Lau, Kai Chung; Chow, Cheuk-Fai","Selective functionalization of C(sp3)–H bonds: catalytic chlorination and bromination by IronIII-acacen-halide under ambient condition","Chemical Communications","2022","","","","","10.1039/D2CC02924C","","","0.71073","MoKα","","0.0503","0.0443","","","0.1153","0.1201","","","","","","1.052","","","","has coordinates","277713","2022-09-07","22:00:04",""
"7130686","14.3015","0.0002","13.2978","0.0001","17.4919","0.0002","90","","97.094","0.001","90","","3301.12","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Mg N2 O -","- C37 H48 Mg N2 O -","- C148 H192 Mg4 N8 O4 -","4","1","","Okokhere-Edeghoghon, Bibian; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Diverse reactivity of a magnesium silanide toward ketones","Chemical Communications","2022","","","","","10.1039/D2CC03966D","","x-ray","1.54184","CuKα","","0.0523","0.0438","","","0.1138","0.1189","","","","","","1.038","","","","has coordinates","277714","2022-09-07","22:01:25",""
"7130687","19.7577","0.0007","13.5109","0.0003","22.2296","0.0008","90","","114.878","0.004","90","","5383.4","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H70 F2 Mg N2 O2 Si -","- C63 H70 F2 Mg N2 O2 Si -","- C252 H280 F8 Mg4 N8 O8 Si4 -","4","1","","Okokhere-Edeghoghon, Bibian; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Diverse reactivity of a magnesium silanide toward ketones","Chemical Communications","2022","","","","","10.1039/D2CC03966D","","x-ray","1.54184","CuKα","","0.0926","0.0604","","","0.1544","0.175","","","","","","1.021","","","","has coordinates,has disorder","277714","2022-09-07","22:01:26",""
"7130688","11.7538","0.0002","12.6949","0.0003","17.859","0.0004","90.407","0.002","96.484","0.002","94.539","0.002","2639.1","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H68 Mg N2 O2 Si -","- C63 H68 Mg N2 O2 Si -","- C126 H136 Mg2 N4 O4 Si2 -","2","1","","Okokhere-Edeghoghon, Bibian; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Diverse reactivity of a magnesium silanide toward ketones","Chemical Communications","2022","","","","","10.1039/D2CC03966D","","x-ray","1.54184","CuKα","","0.0437","0.0394","","","0.0992","0.1023","","","","","","1.02","","","","has coordinates","277714","2022-09-07","22:01:30",""
"7130689","9.833","0.0003","10.8375","0.0004","21.322","0.0008","95.428","0.003","92.237","0.003","100.071","0.003","2223.56","0.14","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Mg N2 O Si -","- C50 H62 Mg N2 O Si -","- C100 H124 Mg2 N4 O2 Si2 -","2","1","","Okokhere-Edeghoghon, Bibian; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Diverse reactivity of a magnesium silanide toward ketones","Chemical Communications","2022","","","","","10.1039/D2CC03966D","","x-ray","1.54184","CuKα","","0.059","0.0443","","","0.1054","0.1124","","","","","","1.022","","","","has coordinates","277714","2022-09-07","22:01:30",""
"7130690","25.2847","0.0005","13.3933","0.0003","28.4487","0.0005","90","","92.09","0.002","90","","9627.6","0.3","150","0.1","150","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C43 H45 B F6 N6 O2 P2 S W -","- C43 H45 B F5.9972 N6 O2 P2 S W -","- C344 H360 B8 F47.9776 N48 O16 P16 S8 W8 -","8","1","","Burt, Liam K.; Hill, Anthony F.; Jones, Stephanie L.","Thiocarbonylphosphorane and arsorane ligands.","Chemical communications (Cambridge, England)","2022","58","79","11091","11094","10.1039/d2cc03747e","","x-ray","1.54184","CuKα","","0.0675","0.0636","","","0.1681","0.1734","","","","","","1.017","","","","has coordinates,has disorder","278395","2022-10-07","00:39:05",""
"7130691","9.2673","0.0001","18.2717","0.0002","25.4905","0.0002","90","","91.331","0.001","90","","4315.12","0.07","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 B F6 Mo N6 O3 P2 -","- C40 H45 B F6 Mo N6 O3 P2 -","- C160 H180 B4 F24 Mo4 N24 O12 P8 -","4","1","","Burt, Liam K.; Hill, Anthony F.; Jones, Stephanie L.","Thiocarbonylphosphorane and arsorane ligands.","Chemical communications (Cambridge, England)","2022","58","79","11091","11094","10.1039/d2cc03747e","","x-ray","1.54184","CuKα","","0.0355","0.0309","","","0.0777","0.0806","","","","","","1.038","","","","has coordinates,has disorder","278395","2022-10-07","00:39:06",""
"7130692","14.171","0.0002","13.2958","0.0001","22.833","0.0003","90","","103.452","0.001","90","","4184.05","0.09","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 B F6 N8 O2 P2 S W -","- C35 H41 B F6 N8 O2 P2 S W -","- C140 H164 B4 F24 N32 O8 P8 S4 W4 -","4","1","","Burt, Liam K.; Hill, Anthony F.; Jones, Stephanie L.","Thiocarbonylphosphorane and arsorane ligands.","Chemical communications (Cambridge, England)","2022","58","79","11091","11094","10.1039/d2cc03747e","","x-ray","1.54184","CuKα","","0.0324","0.0272","","","0.062","0.0646","","","","","","1.014","","","","has coordinates","278395","2022-10-07","00:39:06",""
"7130693","12.3891","0.0004","14.7381","0.0005","21.5181","0.0007","98.368","0.003","91.608","0.003","110.971","0.003","3616","0.2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H69.5 B3.5 F14 N12.5 O5 Pd2 -","- C56.5 H69.5 B3.5 F14 N12.5 O5 Pd2 -","- C113 H139 B7 F28 N25 O10 Pd4 -","2","1","","Abe, Tsukasa; Horiuchi, Shinnosuke; Hiraoka, Shuichi","Kinetically controlled narcissistic self-sorting of Pd(ii)-linked self-assemblies from structurally similar tritopic ligands","Chemical Communications","2022","","","","","10.1039/D2CC04496J","","","1.54184","CuKα","","0.0607","0.049","","","0.1318","0.142","","","","","","1.035","","","","has coordinates,has disorder","277716","2022-09-07","22:04:16",""
"7130694","16.6805","0.0005","16.6805","0.0005","24.152","0.0013","90","","90","","120","","5819.7","0.4","180","2","180","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C60 H78 F41 N12 P7 Pd3 -","- C60 H78 F41 N12 P7 Pd3 -","- C120 H156 F82 N24 P14 Pd6 -","2","0.166667","","Abe, Tsukasa; Horiuchi, Shinnosuke; Hiraoka, Shuichi","Kinetically controlled narcissistic self-sorting of Pd(ii)-linked self-assemblies from structurally similar tritopic ligands","Chemical Communications","2022","","","","","10.1039/D2CC04496J","","","1.54184","CuKα","","0.1016","0.083","","","0.2268","0.2556","","","","","","1.036","","","","has coordinates,has disorder","277716","2022-09-07","22:04:16",""
"7130695","10.5223","0.0018","10.5223","0.0018","8.68","0.002","90","","90","","120","","832.3","0.3","296","2","296","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- Ge2 O4 Sr3 Te3 -","- Ge2 O3.9999 Sr3 Te3 -","- Ge6 O11.9997 Sr9 Te9 -","3","0.166667","","Sun, Mengran; Xing, Wenhao; Lee, Ming-Hsien; Yao, Jiyong","Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr<sub>3</sub>Ge<sub>2</sub>O<sub>4</sub>Te<sub>3</sub>.","Chemical communications (Cambridge, England)","2022","58","79","11167","11170","10.1039/d2cc03979f","","","0.71073","MoKα","","0.0528","0.0339","","","0.0476","0.053","","","","","","1.051","","","","has coordinates","278397","2022-10-07","00:39:25",""
"7130696","17.2482","0.0008","26.1224","0.0012","18.8989","0.0009","90","","105.11","0.002","90","","8220.8","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C83 H70 F18 Fe2 N18 O2 P2 Si -","- C82 H66 F18 Fe2 N18 O P2 Si -","- C328 H264 F72 Fe8 N72 O4 P8 Si4 -","4","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.7288","synchrotron","","0.0791","0.0682","","","0.2064","0.219","","","","","","1.064","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130697","18.685","0.002","19.364","0.002","19.401","0.002","68.021","0.006","88.515","0.007","67.719","0.006","5968.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H120 Cl4 Fe2 N38 O16 -","- C92 H72 Cl4 Fe2 N22 O16 -","- C184 H144 Cl8 Fe4 N44 O32 -","2","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.71073","MoKα","","0.1385","0.0999","","","0.2821","0.3245","","","","","","1.069","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130698","22.696","0.004","27.095","0.005","17.87","0.004","90","","125.911","0.01","90","","8900","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C91 H80 F18 Fe2 N18 O2 P2 Si -","- C84 H72 F18 Fe2 N18 O2 P2 Si -","- C336 H288 F72 Fe8 N72 O8 P8 Si4 -","4","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72931","synchrotron","","0.0536","0.0526","","","0.1483","0.1496","","","","","","1.061","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130699","23.217","0.005","17.634","0.003","27.292","0.005","90","","95.498","0.003","90","","11122","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99.67 H114.67 Cl4 Fe2 N18 O27.67 -","- C98.6667 H94.6668 Cl4 Fe2 N18 O26.6667 -","- C394.667 H378.667 Cl16 Fe8 N72 O106.667 -","4","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72932","","","0.1389","0.1285","","","0.4025","0.4114","","","","","","1.043","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130700","17.31","0.003","25.07","0.005","18.781","0.004","90","","105.202","0.005","90","","7865","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C79 H60 B2 F14 Fe2 N18 O Si -","- C78 H56 B2 F14 Fe2 N18 Si -","- C312 H224 B8 F56 Fe8 N72 Si4 -","4","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72932","","","0.1307","0.1137","","","0.2796","0.2921","","","","","","1.019","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130701","30.215","0.004","30.215","0.004","21.126","0.004","90","","90","","90","","19287","5","100","2","100","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C95 H96 B2 F14 Fe2 N22 O5 Si -","- C88 H78 B2 F14 Fe2 N20 O2 Si -","- C704 H624 B16 F112 Fe16 N160 O16 Si8 -","8","1","","Capó, Nuria; Barrios, Leoní A; Cardona, Joan; Ribas-Ariño, Jordi; Teat, Simon J.; Roubeau, Olivier; Aromí, Guillem","The template effect of a SiF<sub>6</sub><sup>2-</sup> guest drives the formation of a heteroleptic Fe(II) coordination helicate.","Chemical communications (Cambridge, England)","2022","58","78","10969","10972","10.1039/d2cc04559a","","","0.72932","","","0.0838","0.0799","","","0.2312","0.2422","","","","","","1.038","","","","has coordinates,has disorder","278401","2022-10-07","00:42:45",""
"7130702","14.117","0.0003","14.3635","0.0004","17.2002","0.0004","87.62","0.002","75.874","0.002","75.664","0.002","3276.23","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H56 Kr N4 Ni -","- C108 H56 Kr N4 Ni -","- C216 H112 Kr2 N8 Ni2 -","2","1","","Hoffman, Gabriela; Bacanu, George Razvan; Marsden, Elizabeth S.; Walkey, Mark C.; Sabba, Mohamed; Bloodworth, Sally; Tizzard, Graham J.; Levitt, Malcolm H.; Whitby, Richard J.","Synthesis and 83Kr NMR Spectroscopy of Kr@C60","Chemical Communications","2022","","","","","10.1039/D2CC03398D","","x-ray","0.71075","MoKα","K-L~3~","0.0765","0.0517","","","0.0943","0.1013","","","","","","1.031","","","","has coordinates","277773","2022-09-12","21:54:26",""
"7130703","16.423","0.003","18.511","0.004","22.079","0.004","83.12","0.03","71.77","0.03","65.34","0.03","5793","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H92 N28 O27 Pd4 -","- C86 H92 N28 O27 Pd4 -","- C172 H184 N56 O54 Pd8 -","2","1","","Ahmed, Shakil; Howlader, Prodip; Bhattacharyya, Soumalya; Mondal, Surajit; Zangrando, Ennio; Mukherjee, Partha Sarathi","Fluorescence enhancement via structural rigidification inside a self-assembled Pd4 molecular vessel","Chemical Communications","2022","","","","","10.1039/D2CC04561C","","","0.7","synchrotron","","0.0638","0.0573","","","0.1528","0.1576","","","","","","1.038","","","","has coordinates","277774","2022-09-12","21:54:57",""
"7130704","9.6139","0.001","14.7059","0.0013","10.8929","0.001","90","","100.759","0.003","90","","1513","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Chaudhary, Dhananjay; Yadav, Suman; Maurya, Naveen Kumar; Kumar, Dharmendra; Km, Ishu; Kuram, Malleswara Rao","Regiodivergent cascade cyclization/alkoxylation of allenamides via N-protecting group driven rearrangement to access indole and indoline derivatives","Chemical Communications","2022","","","","","10.1039/D2CC03174D","","","0.71073","MoKα","","0.0452","0.0362","","","0.0877","0.0927","","","","","","0.994","","","","has coordinates","277775","2022-09-12","21:55:22",""
"7130705","22.013","0.003","11.4171","0.0016","11.6725","0.0017","90","","90","","90","","2933.6","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H25 N3 O22 Zn3 -","- C20 H12 N3 O22 Zn3 -","- C80 H48 N12 O88 Zn12 -","4","1","","Garai, Abhijit; Goswami, Anindita; Biradha, Kumar","In situ conversion of MOG to crystalline MOF: A case study on solvent-dependent gelation and crystallization","Chemical Communications","2022","","","","","10.1039/D2CC04724A","","","0.71073","MoKα","","0.1836","0.0781","","","0.1606","0.2084","","","","","","0.926","","","","has coordinates","277808","2022-09-13","21:52:25",""
"7130706","11.683","0.005","20.206","0.013","11.397","0.006","90","","90","","90","","2690","3","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C32 H28 N4 O48 S Zn6 -","- C32 H6 N4 O49 S Zn6 -","- C64 H12 N8 O98 S2 Zn12 -","2","0.25","","Garai, Abhijit; Goswami, Anindita; Biradha, Kumar","In situ conversion of MOG to crystalline MOF: A case study on solvent-dependent gelation and crystallization","Chemical Communications","2022","","","","","10.1039/D2CC04724A","","","0.71073","MoKα","","0.0532","0.0397","","","0.1173","0.1237","","","","","","1.066","","","","has coordinates","277808","2022-09-13","21:52:26",""
"7130707","10.7846","0.0012","16.668","0.0018","16.942","0.002","90","","98.592","0.011","90","","3011.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O3 S -","- C13 H16 F N O3 S -","- C104 H128 F8 N8 O24 S8 -","8","2","","Wang, Tong-Tong; Zhao, Li-Ming","Synthesis of 2-arylethenesulfonyl fluorides and isoindolinones: Ru-catalyzed C-H activation of nitrones with ethenesulfonyl fluoride.","Chemical communications (Cambridge, England)","2022","58","79","11099","11102","10.1039/d2cc03418b","","x-ray","0.71073","MoKα","","0.133","0.0715","","","0.1632","0.1998","","","","","","1.016","","","","has coordinates","278396","2022-10-07","00:39:16",""
"7130708","8.3486","0.0002","10.8563","0.0002","11.6441","0.0002","62.4089","0.0009","80.6019","0.0009","88.2485","0.001","921.56","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C46 H48 O6 -","2","1","","Corcoran, James C.; Guo, Rui; Xia, Yue; Wang, Yiming","Vinyl Cation-Mediated Intramolecular Hydroarylation of Alkynes Using Pyridinium Reagents","Chemical Communications","2022","","","","","10.1039/D2CC03794G","","","1.54178","CuKα","","0.0474","0.0445","","","0.1186","0.1221","","","","","","1.089","","","","has coordinates","277810","2022-09-13","21:53:19",""
"7130709","10.6856","0.0003","9.205","0.0002","10.7124","0.0002","90","","118.687","0.003","90","","924.35","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 N S -","- C9 H15 N S -","- C36 H60 N4 S4 -","4","1","","Tang, Shi-Zhong; Xiang, Kai; Ye, Rui; Chen, Meng-En; Yu, Jian-Chang; He, Zhi-Juan; Zhang, Fu-Min","Preparation of thioamides from alkyl bromides, nitriles, and hydrogen sulfide through a thio-Ritter-type reaction","Chemical Communications","2022","","","","","10.1039/D2CC04210J","","x-ray","1.54184","CuKα","","0.0415","0.04","","","0.0997","0.1007","","","","","","1.088","","","","has coordinates,has disorder","277895","2022-09-15","21:53:40",""
"7130710","11.16255","0.00017","10.98512","0.00017","10.23216","0.00013","90","","94.9987","0.0013","90","","1249.92","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N S -","- C13 H21 N S -","- C52 H84 N4 S4 -","4","1","","Tang, Shi-Zhong; Xiang, Kai; Ye, Rui; Chen, Meng-En; Yu, Jian-Chang; He, Zhi-Juan; Zhang, Fu-Min","Preparation of thioamides from alkyl bromides, nitriles, and hydrogen sulfide through a thio-Ritter-type reaction","Chemical Communications","2022","","","","","10.1039/D2CC04210J","","x-ray","1.54184","CuKα","","0.052","0.0499","","","0.1359","0.1377","","","","","","1.076","","","","has coordinates","277895","2022-09-15","21:53:41",""
"7130711","11.57483","0.00018","11.2206","0.0002","10.30302","0.00015","90","","93.9195","0.0014","90","","1334.99","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N S -","- C14 H23 N S -","- C56 H92 N4 S4 -","4","1","","Tang, Shi-Zhong; Xiang, Kai; Ye, Rui; Chen, Meng-En; Yu, Jian-Chang; He, Zhi-Juan; Zhang, Fu-Min","Preparation of thioamides from alkyl bromides, nitriles, and hydrogen sulfide through a thio-Ritter-type reaction","Chemical Communications","2022","","","","","10.1039/D2CC04210J","","x-ray","1.54184","CuKα","","0.0508","0.0469","","","0.1292","0.1318","","","","","","1.09","","","","has coordinates","277895","2022-09-15","21:53:41",""
"7130712","9.4459","0.0003","12.554","0.0005","13.0923","0.0005","114.362","0.001","102.263","0.001","96.976","0.001","1343.37","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F O4 S2 -","- C11 H13 F O4 S2 -","- C44 H52 F4 O16 S8 -","4","2","","Smedley, Christopher J.","A Diversity Oriented Clicking Strategy: The Stereoselective Synthesis of Highly-Functionalised Olefins from 2-Substituted-Alkynyl-1-Sulfonyl Fluorides","Chemical Communications","2022","","","","","10.1039/D2CC04473K","","","0.71073","MoKα","","0.0645","0.0466","","","0.1","0.1115","","","","","","1.062","","","","has coordinates","277896","2022-09-15","21:54:37",""
"7130713","8.4205","0.0019","19.723","0.005","10.592","0.002","90","","107.954","0.006","90","","1673.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F N O5 S -","- C15 H20 F N O5 S -","- C60 H80 F4 N4 O20 S4 -","4","1","","Smedley, Christopher J.","A Diversity Oriented Clicking Strategy: The Stereoselective Synthesis of Highly-Functionalised Olefins from 2-Substituted-Alkynyl-1-Sulfonyl Fluorides","Chemical Communications","2022","","","","","10.1039/D2CC04473K","","","0.71073","MoKα","","0.1779","0.1343","","","0.4049","0.4419","","","","","","1.676","","","","has coordinates","277896","2022-09-15","21:54:37",""
"7130714","12.521","0.011","13.867","0.012","11.473","0.008","90","","100.55","0.02","90","","1958","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F N O5 S -","- C18 H24 F N O5 S -","- C72 H96 F4 N4 O20 S4 -","4","1","","Smedley, Christopher J.","A Diversity Oriented Clicking Strategy: The Stereoselective Synthesis of Highly-Functionalised Olefins from 2-Substituted-Alkynyl-1-Sulfonyl Fluorides","Chemical Communications","2022","","","","","10.1039/D2CC04473K","","","0.71073","MoKα","","0.1003","0.0531","","","0.1164","0.1457","","","","","","1.056","","","","has coordinates","277896","2022-09-15","21:54:38",""
"7130715","38.1926","0.0013","19.4384","0.0007","33.8946","0.0018","90","","115.419","0.001","90","","22727.5","1.7","173","2","173.02","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C154 H204 N10 Na10 O110 P20 S2 V20 W2 -","- C120 H96 Na10 O100 P20 S2 V20 W2 -","- C480 H384 Na40 O400 P80 S8 V80 W8 -","4","0.5","","Zhang, Ting; Hou, Yuhan; Hou, Baoshan; Zhao, Liang; Wang, Xinlong; Qin, Chao; Su, Zhongmin","High-nuclear polyoxovanadates assembled from pentagonal building blocks","Chemical Communications","2022","","","","","10.1039/D2CC04436F","","x-ray","1.54178","CuKα","K-L~3~","0.0756","0.0691","","","0.1885","0.1948","","","","","","1.038","","","","has coordinates,has disorder","277897","2022-09-15","21:56:08",""
"7130716","37.4678","0.0017","28.5413","0.001","20.4155","0.0008","90","","90","","90","","21831.9","1.5","173","2","173.02","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C132 H206 N13 Na7 O110 P14 V18 W4 -","- C92 H66 Na7 O96 P14 V18 W4 -","- C368 H264 Na28 O384 P56 V72 W16 -","4","0.5","","Zhang, Ting; Hou, Yuhan; Hou, Baoshan; Zhao, Liang; Wang, Xinlong; Qin, Chao; Su, Zhongmin","High-nuclear polyoxovanadates assembled from pentagonal building blocks","Chemical Communications","2022","","","","","10.1039/D2CC04436F","","x-ray","1.54178","CuKα","K-L~3~","0.1405","0.0988","","","0.2526","0.2844","","","","","","1.046","","","","has coordinates,has disorder","277897","2022-09-15","21:56:08",""
"7130717","16.228","0.0007","23.1623","0.0009","36.289","0.0014","90","","92.039","0.002","90","","13631.6","1","173","2","173.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C155 H260 N18 Na10 O143 P16 V26 W6 -","- C112 H108 N4 Na10 O128 P16 V26 W6 -","- C224 H216 N8 Na20 O256 P32 V52 W12 -","2","0.5","","Zhang, Ting; Hou, Yuhan; Hou, Baoshan; Zhao, Liang; Wang, Xinlong; Qin, Chao; Su, Zhongmin","High-nuclear polyoxovanadates assembled from pentagonal building blocks","Chemical Communications","2022","","","","","10.1039/D2CC04436F","","x-ray","1.54178","CuKα","K-L~3~","0.0869","0.0713","","","0.1757","0.1847","","","","","","1.035","","","","has coordinates","277897","2022-09-15","21:56:08",""
"7130718","22.121","0.002","22.881","0.002","38.937","0.003","93.602","0.007","91.56","0.007","96.891","0.008","19515","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C172.56 H116.12 B8 F32 Fe4 N37 O27.64 -","- C172.54 H116.08 B8 F32 Fe4 N37 O27.635 -","- C690.16 H464.32 B32 F128 Fe16 N148 O110.54 -","4","2","","Li, Weiyang; Liu, Cuilian; Kfoury, Joseph; Oláh, Julianna; Robeyns, Koen; Singleton, Michael L.; Demeshko, Serhiy; Meyer, Franc; Garcia, Yann","A spin crossover FeII4L6 cage based on pyridyl-hydrazone sites","Chemical Communications","2022","","","","","10.1039/D2CC04476E","","","0.71073","MoKα","","0.2296","0.1377","","","0.288","0.3247","","","","","","1.422","","","","has coordinates,has disorder","277954","2022-09-18","21:50:19",""
"7130719","47.172","0.0008","17.2138","0.0004","11.2397","0.0001","90","","90","","90","","9126.7","0.3","100","","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Sm)","","- C42.5 H38.5 N2 O16 Sm2 -","- C42.5 H38.5 N2 O16 Sm2 -","- C340 H308 N16 O128 Sm16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4134","Synchrotron","","0.0908","0.0493","","","0.1386","0.1696","","","","","","0.968","","","","has coordinates","277955","2022-09-18","21:52:33",""
"7130720","47.592","0.0011","17.2469","0.0004","11.4052","0.0002","90","","90","","90","","9361.6","0.3","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Gd)","","- C42.5 H38.5 Gd2 N2 O16 -","- C42.5 H38.5 Gd2 N2 O16 -","- C340 H308 Gd16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.71073","MoKα","","0.0438","0.0271","","","0.0867","0.0995","","","","","","0.982","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130721","47.3677","0.0003","17.2952","0.0001","11.3189","0.0001","90","","90","","90","","9272.83","0.11","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Eu)","","- C42.5 H38.5 Eu2 N2 O16 -","- C42.5 H38.5 Eu2 N2 O16 -","- C340 H308 Eu16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4131","synchrotron","","0.0335","0.0255","","","0.0724","0.0759","","","","","","1.08","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130722","17.0356","0.0005","47.4052","0.0016","11.4193","0.0004","90","","90","","90","","9222","0.5","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Y)","","- C42.5 H38.5 N2 O16 Y2 -","- C42.5 H38.5 N2 O16 Y2 -","- C340 H308 N16 O128 Y16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","x-ray","0.71073","MoKα","","0.1578","0.0671","","","0.1515","0.191","","","","","","1.05","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130723","17.2624","0.0001","47.8338","0.0004","11.4773","0.0001","90","","90","","90","","9477.11","0.13","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Dy)","","- C42.5 H38.5 Dy2 N2 O16 -","- C42.5 H38.5 Dy2 N2 O16 -","- C340 H308 Dy16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","x-ray","0.4176","synchrotron","","0.0933","0.0493","","","0.1128","0.1316","","","","","","1.047","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130724","47.3291","0.0014","16.9949","0.0005","11.4233","0.0003","90","","90","","90","","9188.4","0.5","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Er)","","- C42.5 H38.5 Er2 N2 O16 -","- C42.5 H38.5 Er2 N2 O16 -","- C340 H308 Er16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.71073","MoKα","","0.1486","0.048","","","0.093","0.1259","","","","","","0.98","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130725","17.0266","0.0002","47.1777","0.0005","11.3538","0.0001","90","","90","","90","","9120.23","0.17","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Ho)","","- C42.5 H38.5 Ho2 N2 O16 -","- C42.5 H38.5 Ho2 N2 O16 -","- C340 H308 Ho16 N16 O128 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4134","Synchrotron","","0.0987","0.0487","","","0.124","0.1553","","","","","","0.941","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130726","47.3077","0.0004","17.1468","0.0002","11.3497","0.0001","90","","90","","90","","9206.6","0.16","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","KGF-15(Tb)","","- C42.5 H38.5 N2 O16 Tb2 -","- C42.5 H38.5 N2 O16 Tb2 -","- C340 H308 N16 O128 Tb16 -","8","1","","Kitamura, Yu; Nakamura, Yuiga; Sugimoto, Kunihisa; Yoshikawa, Hirofumi; Tanaka, Daisuke","Data-driven efficient synthetic exploration of anionic lanthanide-based metal–organic frameworks","Chemical Communications","2022","","","","","10.1039/D2CC04985F","","","0.4126","synchrotron","","0.0865","0.0433","","","0.0957","0.1118","","","","","","1.037","","","","has coordinates","277955","2022-09-18","21:52:34",""
"7130727","9.79","0.0003","16.4804","0.0005","11.3323","0.0003","90","","101.557","0.001","90","","1791.32","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Liu, Daohua; Nyakuchena, James; Maity, Rajendra; Geng, Xin; Mahajan, Jyoti P.; Hewa-Rahinduwage, Chathurange C.; Peng, Yi; Huang, Jier; Luo, Long","Quantum dot gels as efficient and unique photocatalysts for organic synthesis","Chemical Communications","2022","","","","","10.1039/D2CC03872B","","","1.54178","CuKα","","0.0354","0.0338","","","0.0858","0.0873","","","","","","1.025","","","","has coordinates","277956","2022-09-18","21:53:33",""
"7130728","8.7425","0.0002","20.7426","0.0006","34.3362","0.0007","90","","90","","90","","6226.6","0.3","298","","298","","101.325","","101.325","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0338","0.033","","0.0695","0.0693","0.0695","","","","","","42.3716","","","","has coordinates","277957","2022-09-18","21:55:50",""
"7130729","8.7465","0.0004","20.7246","0.001","34.3207","0.0014","90","","90","","90","","6221.2","0.5","298","","298","","20000","","20000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.2 H9 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0366","0.0323","","0.0885","0.0864","0.0885","","","","","","1.0115","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130730","8.7455","0.0004","20.7289","0.001","34.3277","0.0014","90","","90","","90","","6223.1","0.5","298","","298","","10000","","10000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.6 H9.9 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0374","0.0329","","0.0904","0.0877","0.0904","","","","","","1.0043","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130731","8.7541","0.0004","20.7081","0.0012","34.274","0.0017","90","","90","","90","","6213.2","0.6","298","","298","","70000","","70000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14 H10.9 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0448","0.0378","","0.1039","0.1001","0.1039","","","","","","0.9879","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130732","8.7486","0.0004","20.7218","0.001","34.3093","0.0014","90","","90","","90","","6219.8","0.5","298","","298","","30000","","30000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.7 H10.2 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0384","0.0332","","0.0933","0.0905","0.0933","","","","","","1.0053","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130733","8.7564","0.0005","20.7042","0.0013","34.2663","0.0019","90","","90","","90","","6212.3","0.6","298","","298","","80000","","80000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14 H10.8 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0454","0.0372","","0.1035","0.0983","0.1035","","","","","","0.9956","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130734","8.7518","0.0005","20.7136","0.0012","34.2831","0.0017","90","","90","","90","","6214.9","0.6","298","","298","","60000","","60000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.8 H10.3 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.043","0.036","","0.0982","0.0949","0.0982","","","","","","0.9972","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130735","8.7648","0.0006","20.7017","0.0014","34.221","0.002","90","","90","","90","","6209.3","0.7","298","","298","","120000","","120000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.8 H10.4 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0547","0.0438","","0.1354","0.1276","0.1354","","","","","","1.0137","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7130736","8.7606","0.0005","20.7017","0.0013","34.245","0.002","90","","90","","90","","6210.6","0.6","298","","298","","100000","","100000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.9 H10.5 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0508","0.0403","","0.1149","0.1085","0.1149","","","","","","1.001","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130737","8.7488","0.0004","20.7196","0.0011","34.2997","0.0016","90","","90","","90","","6217.6","0.5","298","","298","","40000","","40000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.5 H9.5 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0424","0.0354","","0.0964","0.0932","0.0964","","","","","","0.994","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130738","8.7483","0.0003","20.738","0.0004","34.3334","0.0008","90","","90","","90","","6228.8","0.3","298","","298","","5000","","5000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14.2 H11.2 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.04","0.0357","","0.1015","0.0987","0.1015","","","","","","0.9944","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130739","8.7504","0.0002","20.7378","0.0004","34.3314","0.0008","90","","90","","90","","6229.9","0.2","298","","298","","20000","","20000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14.1 H11 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0406","0.0364","","0.1021","0.0993","0.1021","","","","","","0.999","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7130740","8.7508","0.0005","20.716","0.0011","34.2933","0.0016","90","","90","","90","","6216.7","0.6","298","","298","","50000","","50000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C13.8 H10.3 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0419","0.0352","","0.0965","0.0932","0.0965","","","","","","0.9884","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130741","8.7547","0.0002","20.7361","0.0004","34.3257","0.0008","90","","90","","90","","6231.4","0.2","298","","298","","40000","","40000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14.2 H11.3 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0393","0.0355","","0.1015","0.0991","0.1015","","","","","","0.9956","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130742","8.7579","0.0003","20.737","0.0005","34.3224","0.0009","90","","90","","90","","6233.4","0.3","298","","298","","60000","","60000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14.4 H11.7 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0413","0.037","","0.1078","0.1049","0.1078","","","","","","0.9902","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7130743","8.7611","0.0003","20.7372","0.0005","34.314","0.001","90","","90","","90","","6234.2","0.3","298","","298","","90000","","90000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C14.5 H11.9 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0419","0.0351","","0.0988","0.0952","0.0988","","","","","","0.9722","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7130744","8.7577","0.0005","20.7045","0.0012","34.2603","0.0019","90","","90","","90","","6212.2","0.6","298","","298","","90000","","90000","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","","","- C14 H10.9 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0458","0.0379","","0.106","0.1009","0.106","","","","","","0.9874","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130745","8.7604","0.0003","20.7351","0.0005","34.3174","0.0011","90","","90","","90","","6233.7","0.3","298","","298","","","","80000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C14.6 H12.4 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A.","Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar","Chemical Communications","2022","","","","","10.1039/D2CC04649K","","x-ray","0.6889","synchrotron","","0.0448","0.0378","","0.1074","0.1033","0.1074","","","","","","0.972","","","","has coordinates","277957","2022-09-18","21:55:55",""
"7130746","9.324","0.003","11.795","0.004","9.195","0.003","90","","115.308","0.009","90","","914.2","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H N9 O4 -","- C5 H N9 O4 -","- C20 H4 N36 O16 -","4","1","","Tang, Jie; Xiong, Hualin; Zhang, Guojie; tang, yongying; Yang, Hongwei; Cheng, Guangbin","An advanced primary explosive and secondary explosive based on zwitterionic pyrazole-triazole derivative","Chemical Communications","2022","","","","","10.1039/D2CC04531A","","","0.71073","MoKα","","0.1267","0.0686","","","0.146","0.1756","","","","","","1.03","","","","has coordinates","278009","2022-09-20","21:51:53",""
"7130747","18.7708","0.0011","7.4519","0.0004","16.546","0.001","90","","110.017","0.002","90","","2174.6","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N18 O11 -","- C10 H16 N18 O11 -","- C40 H64 N72 O44 -","4","0.5","","Tang, Jie; Xiong, Hualin; Zhang, Guojie; tang, yongying; Yang, Hongwei; Cheng, Guangbin","An advanced primary explosive and secondary explosive based on zwitterionic pyrazole-triazole derivative","Chemical Communications","2022","","","","","10.1039/D2CC04531A","","","0.71073","MoKα","","0.0678","0.0443","","","0.0987","0.1115","","","","","","1.046","","","","has coordinates","278009","2022-09-20","21:51:54",""
"7130748","15.9677","0.0004","12.7824","0.0004","21.3828","0.0008","90","","103.243","0.003","90","","4248.3","0.2","100","0.1","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H64 Cl2 N3 Nb P2 -","- C40.5 H64 Cl2 N3 Nb P2 -","- C162 H256 Cl8 N12 Nb4 P8 -","4","1","","Senthil, Shuruthi; Kwon, Seongyeon; Lim, Hoyoung; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Ligand Non-Innocence Allows Isolation of a Neutral and Terminal Niobium Nitride","Chemical Communications","2022","","","","","10.1039/D2CC04696B","","x-ray","0.71073","MoKα","","0.1035","0.0669","","","0.1577","0.1812","","","","","","1.052","","","","has coordinates,has disorder","278010","2022-09-20","21:52:38",""
"7130749","13.0304","0.0003","13.4804","0.0003","14.121","0.0003","101.554","0.002","111.506","0.002","99.442","0.002","2182.89","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 N3 Nb P2 -","- C38 H58 N3 Nb P2 -","- C76 H116 N6 Nb2 P4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Lim, Hoyoung; Gau, Michael; Baik, Mu-Hyun; Mindiola, Daniel J.","Ligand Non-Innocence Allows Isolation of a Neutral and Terminal Niobium Nitride","Chemical Communications","2022","","","","","10.1039/D2CC04696B","","x-ray","0.71073","MoKα","","0.0665","0.047","","","0.1228","0.1299","","","","","","1.071","","","","has coordinates","278010","2022-09-20","21:52:38",""
"7130750","19.99","0.003","6.2622","0.001","13.262","0.002","90","","95.966","0.002","90","","1651.2","0.4","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H6 F10 -","- C22 H6 F10 -","- C88 H24 F40 -","4","0.5","","Sato, Ryota; Iida, Tomoki; Kanbara, Takaki; Kuwabara, Junpei","Unique regioselectivity of the Pd-catalysed cross-dehydrogenative coupling reaction of simple polyaromatic hydrocarbons with polyfluoroarenes","Chemical Communications","2022","","","","","10.1039/D2CC04655E","","","0.71073","MoKα","","0.0609","0.051","","","0.1283","0.1361","","","","","","1.056","","","","has coordinates","278011","2022-09-20","21:53:14",""
"7130751","22.572","0.005","6.5859","0.0015","13.304","0.003","90","","106.248","0.003","90","","1898.7","0.7","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H4 F5 -","- C13 H4 F5 -","- C104 H32 F40 -","8","1","","Sato, Ryota; Iida, Tomoki; Kanbara, Takaki; Kuwabara, Junpei","Unique regioselectivity of the Pd-catalysed cross-dehydrogenative coupling reaction of simple polyaromatic hydrocarbons with polyfluoroarenes","Chemical Communications","2022","","","","","10.1039/D2CC04655E","","","0.71073","MoKα","","0.0496","0.0371","","","0.0855","0.0934","","","","","","1.035","","","","has coordinates","278011","2022-09-20","21:53:15",""
"7130752","7.398","0.0003","10.9637","0.0004","11.9743","0.0004","90","","101.852","0.0014","90","","950.53","0.06","156","2","156","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl4 N8 O4 -","- C40 H36 Cl4 N8 O4 -","- C40 H36 Cl4 N8 O4 -","1","0.25","","Yang, Hua; Wu, Mei-Chun; Li, Ming-Zhi; Chen, Jia-Yi; Xiao, Jun-An; Xiang, Haoyue; Chen, Kai","Photoredox-catalysed chlorination of quinoxalin-2(1H)-ones enabled by using CHCl3 as chlorine source","Chemical Communications","2022","","","","","10.1039/D2CC04520F","","","1.34138","GaKα","","0.0379","0.0357","","","0.1041","0.1058","","","","","","1.075","","","","has coordinates","278048","2022-09-21","21:50:50",""
"7130753","16.0043","0.0013","23.0932","0.0017","16.3664","0.0017","90","","112.481","0.011","90","","5589.2","1","99.98","0.15","99.98","0.15","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C42.59 H30 Cd3 F1.18 N12 -","- C42.588 H30 Cd3 F1.176 N12 -","- C170.352 H120 Cd12 F4.704 N48 -","4","0.5","","Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael","Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility","Chemical Communications","2022","","","","","10.1039/D2CC04362A","","x-ray","1.54184","CuKα","","0.1418","0.1087","","","0.3121","0.3411","","","","","","1.138","","","","has coordinates,has disorder","278087","2022-09-22","21:53:29",""
"7130754","16.201","0.0013","23.0159","0.0019","16.2213","0.0016","90","","113.343","0.01","90","","5553.5","0.9","99.99","0.18","99.99","0.18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C82.98 H48.94 Cd6 F1.96 N24 -","- C82.972 H48.916 Cd6 F1.944 N24 -","- C165.944 H97.832 Cd12 F3.888 N48 -","2","0.25","","Halder, Arijit; Klein, Ryan A.; Lively, Rachel; McGuirk, C. Michael","Multivariate zeolitic imidazolate frameworks with an inverting trend in flexibility","Chemical Communications","2022","","","","","10.1039/D2CC04362A","","x-ray","1.54184","CuKα","","0.1896","0.1411","","","0.3979","0.4508","","","","","","1.335","","","","has coordinates","278087","2022-09-22","21:53:29",""
"7130755","13.3739","0.0017","17.908","0.002","8.4752","0.0008","90","","97.311","0.004","90","","2013.3","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H29 B F3 N O8 -","- C14 H29 B F3 N O8 -","- C56 H116 B4 F12 N4 O32 -","4","1","","RAMACHANDRAN, P. Veeraraghavan Veeraghavan; Choudhary, Shivani","Monotrifluoroacetoxyborane-amines: Chemoselective reagents for challenging reductive aminations","Chemical Communications","2022","","","","","10.1039/D2CC04173A","","","0.71073","MoKα","","0.0943","0.0473","","","0.0885","0.1053","","","","","","1.008","","","","has coordinates,has disorder","278088","2022-09-22","21:54:01",""
"7130756","13.5817","0.0009","14.0463","0.0008","14.9259","0.001","69.516","0.006","89.648","0.006","73.04","0.006","2536.7","0.3","240","","240","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C92 H108 B2 Co2 F6 Fe2 N28 O9 S2 -","2","1","","Mathonière, Corine; Mitcov, Dmitri; Koumousi, Evangelia; Amorin-Rosario, Daniel; Dechambenoit, Pierre; Fatima Jafri, Sadaf; Sainctavit, Philippe; Cartier Dit Moulin, Christophe; Toupet, Loic; Trzop, Elzbieta; Collet, Eric; Arrio, Marie-Anne; Rogalev, Andrei; Wilhelm, Fabrice; Clérac, Rodolphe","Metal-to-metal electron transfer in a cyanido-bridged {Fe<sub>2</sub>Co<sub>2</sub>} square complex followed by X-ray diffraction and absorption techniques.","Chemical communications (Cambridge, England)","2022","58","86","12098","12101","10.1039/d2cc04246k","","x-ray","0.71073","MoKα","","0.2168","0.0802","","","0.1056","0.1605","","","","","","1.001","","","","has coordinates,has disorder","278962","2022-11-07","05:07:39",""
"7130757","13.3992","0.0011","13.916","0.0009","14.8696","0.0012","69.246","0.007","89.144","0.007","72.923","0.007","2466.1","0.4","80","","80","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C92 H108 B2 Co2 F6 Fe2 N28 O9 S2 -","2","1","","Mathonière, Corine; Mitcov, Dmitri; Koumousi, Evangelia; Amorin-Rosario, Daniel; Dechambenoit, Pierre; Fatima Jafri, Sadaf; Sainctavit, Philippe; Cartier Dit Moulin, Christophe; Toupet, Loic; Trzop, Elzbieta; Collet, Eric; Arrio, Marie-Anne; Rogalev, Andrei; Wilhelm, Fabrice; Clérac, Rodolphe","Metal-to-metal electron transfer in a cyanido-bridged {Fe<sub>2</sub>Co<sub>2</sub>} square complex followed by X-ray diffraction and absorption techniques.","Chemical communications (Cambridge, England)","2022","58","86","12098","12101","10.1039/d2cc04246k","","x-ray","0.71073","MoKα","","0.1961","0.0843","","","0.1262","0.1785","","","","","","1.019","","","","has coordinates","278962","2022-11-07","05:07:39",""
"7130758","13.2457","0.0011","13.8227","0.0009","14.769","0.0012","69.953","0.007","87.972","0.007","71.58","0.007","2402","0.4","80","","80","","","","","","","","","9","P -1","-P 1","2","","","","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C46 H54 B Co F3 Fe N14 O4.5 S -","- C92 H108 B2 Co2 F6 Fe2 N28 O9 S2 -","2","1","","Mathonière, Corine; Mitcov, Dmitri; Koumousi, Evangelia; Amorin-Rosario, Daniel; Dechambenoit, Pierre; Fatima Jafri, Sadaf; Sainctavit, Philippe; Cartier Dit Moulin, Christophe; Toupet, Loic; Trzop, Elzbieta; Collet, Eric; Arrio, Marie-Anne; Rogalev, Andrei; Wilhelm, Fabrice; Clérac, Rodolphe","Metal-to-metal electron transfer in a cyanido-bridged {Fe<sub>2</sub>Co<sub>2</sub>} square complex followed by X-ray diffraction and absorption techniques.","Chemical communications (Cambridge, England)","2022","58","86","12098","12101","10.1039/d2cc04246k","","x-ray","0.71073","MoKα","","0.1937","0.0818","","","0.1152","0.1649","","","","","","1.001","","","","has coordinates","278962","2022-11-07","05:07:39",""
"7130759","11.999","0.003","16.823","0.005","12.04","0.003","90","","97.099","0.004","90","","2411.8","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cu N4 -","- C29 H25 Cu N4 -","- C116 H100 Cu4 N16 -","4","1","","Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S.","Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption","Chemical Communications","2022","","","","","10.1039/D2CC03873K","","","0.71073","MoKα","","0.0395","0.0324","","","0.0797","0.0833","","","","","","1.037","","","","has coordinates","278130","2022-09-26","15:24:20",""
"7130760","12.103","0.005","12.437","0.005","19.039","0.008","102.097","0.005","99.622","0.005","92.954","0.005","2752","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cu N4 -","- C35 H29 Cu N4 -","- C140 H116 Cu4 N16 -","4","2","","Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S.","Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption","Chemical Communications","2022","","","","","10.1039/D2CC03873K","","","0.71073","MoKα","","0.0702","0.0416","","","0.0969","0.11","","","","","","1.034","","","","has coordinates","278130","2022-09-26","15:24:20",""
"7130761","9.3017","0.0014","11.4634","0.0017","24.99","0.004","81.683","0.002","87.757","0.002","79.001","0.002","2588","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 Cu N4 -","- C29 H37 Cu N4 -","- C116 H148 Cu4 N16 -","4","2","","Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S.","Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption","Chemical Communications","2022","","","","","10.1039/D2CC03873K","","","0.71073","MoKα","","0.0551","0.0398","","","0.0931","0.0999","","","","","","1.045","","","","has coordinates","278130","2022-09-26","15:24:20",""
"7130762","11.377","0.005","12.277","0.005","12.867","0.006","82.704","0.005","73.418","0.005","69.858","0.005","1616.3","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H15 Cu F18 N4 -","- C33 H15 Cu F18 N4 -","- C66 H30 Cu2 F36 N8 -","2","1","","Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S.","Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption","Chemical Communications","2022","","","","","10.1039/D2CC03873K","","","0.71073","MoKα","","0.0603","0.0452","","","0.1227","0.1327","","","","","","1.062","","","","has coordinates","278130","2022-09-26","15:24:20",""
"7130763","14.9235","0.0018","14.2433","0.0016","14.793","0.002","90","","90.565","0.005","90","","3144.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 O Zr -","- C38 H36 N6 O Zr -","- C152 H144 N24 O4 Zr4 -","4","1","","Leary, Dylan C.; Martinez, Jordan C.; Ahkmedov, Novruz G.; Petersen, Jeffrey L.; Milsmann, Carsten","Long-lived Photoluminescence from an Eight-Coordinate Zirconium(IV) Complex with Four 2-(2’-Pyridyl)pyrrolide Ligands","Chemical Communications","2022","","","","","10.1039/D2CC04912K","","","0.71073","MoKα","","0.1329","0.0679","","","0.1382","0.1678","","","","","","1.017","","","","has coordinates","278131","2022-09-26","15:24:21",""
"7130764","16.8714","0.001","10.2281","0.0006","17.3048","0.0011","90","","105.228","0.002","90","","2881.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N8 Zr -","- C36 H28 N8 Zr -","- C144 H112 N32 Zr4 -","4","0.5","","Leary, Dylan C.; Martinez, Jordan C.; Ahkmedov, Novruz G.; Petersen, Jeffrey L.; Milsmann, Carsten","Long-lived Photoluminescence from an Eight-Coordinate Zirconium(IV) Complex with Four 2-(2’-Pyridyl)pyrrolide Ligands","Chemical Communications","2022","","","","","10.1039/D2CC04912K","","","0.71073","MoKα","","0.0353","0.0285","","","0.0672","0.0705","","","","","","1.087","","","","has coordinates","278131","2022-09-26","15:24:21",""
"7130765","8.8994","0.0007","24.393","0.003","16.1873","0.0014","90","","105.719","0.003","90","","3382.6","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H43 Cl2 Mg2 N4 O3 -","- C34 H43 Cl2 Mg2 N4 O3 -","- C136 H172 Cl8 Mg8 N16 O12 -","4","1","","Kumar, Rohit; Pahar, Sanjukta; Chatterjee, Joy; Dash, Soumya Ranjan; Gonnade, Rajesh G.; Vanka, Kumar; Sen, Sakya Singha","Luminescent magnesium complexes with intra- and inter-ligand charge transfer","Chemical Communications","2022","","","","","10.1039/D2CC04142A","","","0.71073","MoKα","","0.0611","0.0552","","","0.1406","0.1452","","","","","","1.148","","","","has coordinates,has disorder","278132","2022-09-26","15:24:23",""
"7130766","9.1371","0.0008","16.8002","0.0017","8.3053","0.0008","90","","116.752","0.003","90","","1138.44","0.19","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H30 Mg N4 O -","- C26 H30 Mg N4 O -","- C52 H60 Mg2 N8 O2 -","2","1","","Kumar, Rohit; Pahar, Sanjukta; Chatterjee, Joy; Dash, Soumya Ranjan; Gonnade, Rajesh G.; Vanka, Kumar; Sen, Sakya Singha","Luminescent magnesium complexes with intra- and inter-ligand charge transfer","Chemical Communications","2022","","","","","10.1039/D2CC04142A","","","0.71073","MoKα","","0.097","0.0824","","","0.1595","0.1662","","","","","","1.141","","","","has coordinates,has disorder","278132","2022-09-26","15:24:23",""
"7130767","9.9927","0.0003","17.6107","0.0005","10.259","0.0003","90","","108.105","0.004","90","","1715.98","0.1","122.98","0.14","122.98","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Co2 P6 -","- C30 H54 Co2 P6 -","- C60 H108 Co4 P12 -","2","0.5","","Rödl, Christian; Hierlmeier, Gabriele; Wolf, Robert","A homoleptic tris(diphosphacyclobutadiene) tripledecker sandwich complex","Chemical Communications","2022","","","","","10.1039/D2CC04601F","","x-ray","1.54184","CuKα","","0.0366","0.0339","","","0.0879","0.0898","","","","","","1.122","","","","has coordinates","278150","2022-09-26","15:27:01",""
"7130768","11.677","0.003","9.403","0.002","12.794","0.003","90","","90","","90","","1404.8","0.6","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- P3 Sr3 Zn -","- P3 Sr3 Zn -","- P24 Sr24 Zn8 -","8","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","","0.71073","MoKα","","0.0379","0.0245","","","0.0497","0.0532","","","","","","1.05","","","","has coordinates","278195","2022-09-26","21:53:43",""
"7130769","7.4616","0.0011","8.6131","0.0013","21.565","0.003","90","","90","","90","","1385.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","x-ray","0.71073","MoKα","","0.057","0.0505","","","0.1265","0.1317","","","","","","1.006","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7130770","12.5797","0.0018","8.1298","0.0012","13.6651","0.0019","90","","104.883","0.003","90","","1350.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C60 H56 F4 N4 O16 -","4","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","x-ray","0.71073","MoKα","","0.0554","0.0447","","","0.1229","0.1334","","","","","","1.045","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7130771","10.0454","0.0012","10.7142","0.0012","12.3095","0.0014","90","","90","","90","","1324.9","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F N2 O4 -","- C14 H13 F N2 O4 -","- C56 H52 F4 N8 O16 -","4","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","x-ray","0.71073","MoKα","","0.0487","0.0398","","","0.0926","0.0968","","","","","","0.998","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7130772","22.1441","0.0007","22.1441","0.0007","96.226","0.005","90","","90","","120","","40864","3","123","2","123","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C97 H193 Cl3 N48 -","- C97 H193 Cl3 N48 -","- C1164 H2316 Cl36 N576 -","12","0.333333","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja","Triazine based eccentric Piedfort units towards a single source hydrogen bonded network","Chemical Communications","2022","","","","","10.1039/D2CC03327E","","","0.71073","MoKα","","0.1254","0.0724","","","0.177","0.207","","","","","","1.021","","","","has coordinates,has disorder","278196","2022-09-26","21:55:20",""
"7130773","21.0568","0.0009","14.405","0.0006","22.7028","0.0009","90","","114.429","0.001","90","","6269.8","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 N5 S -","- C12 H23 N5 S -","- C192 H368 N80 S16 -","16","4","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja","Triazine based eccentric Piedfort units towards a single source hydrogen bonded network","Chemical Communications","2022","","","","","10.1039/D2CC03327E","","","0.71073","MoKα","","0.1265","0.0581","","","0.1054","0.1253","","","","","","1.007","","","","has coordinates","278196","2022-09-26","21:55:25",""
"7130774","17.0555","0.0007","21.6567","0.0008","23.7689","0.0009","81.058","0.001","79.58","0.001","66.891","0.001","7907.1","0.5","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H52 N10 O S3 -","- C34 H52 N10 O S3 -","- C272 H416 N80 O8 S24 -","8","8","","Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja","Triazine based eccentric Piedfort units towards a single source hydrogen bonded network","Chemical Communications","2022","","","","","10.1039/D2CC03327E","","","0.71073","MoKα","","0.1826","0.0824","","","0.1148","0.1431","","","","","","0.989","","","","has coordinates,has disorder","278196","2022-09-26","21:55:28",""
"7130775","7.9033","0.0005","11.9615","0.0007","14.6472","0.0009","73.3","0.005","83.619","0.005","74.42","0.005","1276.68","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 O2 Se -","- C15 H10 O2 Se -","- C60 H40 O8 Se4 -","4","2","","Duan, Bingbing; Wu, Yao; Gao, Yi; Ying, Linkun; Tang, Jielin; Hu, Shiyu; Zhao, Qiuhua; Song, Zengqiang","Regioselective peri-C–H selenylation of aromatic compounds with weakly coordinating ketone groups","Chemical Communications","2022","","","","","10.1039/D2CC04030A","","x-ray","0.71073","MoKα","","0.0877","0.0476","","","0.0922","0.1093","","","","","","1.044","","","","has coordinates","278222","2022-09-27","21:53:30",""
"7130776","8.0338","0.0003","8.4987","0.0004","13.3369","0.0005","74.087","0.004","74.63","0.003","81.377","0.004","841.45","0.06","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O2 Se -","- C20 H19 N O2 Se -","- C40 H38 N2 O4 Se2 -","2","1","","Duan, Bingbing; Wu, Yao; Gao, Yi; Ying, Linkun; Tang, Jielin; Hu, Shiyu; Zhao, Qiuhua; Song, Zengqiang","Regioselective peri-C–H selenylation of aromatic compounds with weakly coordinating ketone groups","Chemical Communications","2022","","","","","10.1039/D2CC04030A","","x-ray","0.71073","MoKα","","0.0385","0.0312","","","0.0673","0.0708","","","","","","1.078","","","","has coordinates","278222","2022-09-27","21:53:31",""
"7130777","14.892","0.002","4.6144","0.0005","16.629","0.002","90","","114.72","0.018","90","","1038","0.3","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19.52 N2 O9 -","- C22 H19.52 N2 O9 -","- C44 H39.04 N4 O18 -","2","1","","Fernandes, Rodney Agustinho; Kumar, Atul; Pathare, Ramdas Shivaji","Asymmetric Total Synthesis of (+)-Dihydroitomanallene B and Formal Synthesis of (-)-Kumausallene","Chemical Communications","2022","","","","","10.1039/D2CC04574E","","","0.71073","MoKα","","0.1155","0.0645","","","0.1046","0.1347","","","","","","1.009","","","","has coordinates,has disorder","278223","2022-09-27","21:54:08",""
"7130778","7.0311","0.0007","41.153","0.003","7.9883","0.0011","90","","112.911","0.014","90","","2129.1","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N2 O9 -","- C22 H21 N2 O9 -","- C88 H84 N8 O36 -","4","1","","Fernandes, Rodney Agustinho; Kumar, Atul; Pathare, Ramdas Shivaji","Asymmetric Total Synthesis of (+)-Dihydroitomanallene B and Formal Synthesis of (-)-Kumausallene","Chemical Communications","2022","","","","","10.1039/D2CC04574E","","","0.71073","MoKα","","0.1676","0.0849","","","0.2095","0.3167","","","","","","1.011","","","","has coordinates","278223","2022-09-27","21:54:08",""
"7130779","7.96","0.004","11.51","0.006","32.253","0.018","90","","90","","90","","2955","3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","1","","Iguchi, Honami; Katayama, Nobuki; Suzuki, Takeyuki; Fujihara, Tetsuaki; Jing, Yuan; Toyao, Takashi; Maeno, Zen; Shimizu, Ken-ichi; Obora, Yasushi","Dimethylacetamide-stabilized ruthenium nanoparticles for catalysing α-alkylations of amides with alcohols","Chemical Communications","2022","","","","","10.1039/D2CC04133B","","","0.71075","MoKα","","0.1408","0.0982","","","0.2513","0.2789","","","","","","1.106","","","","has coordinates","278224","2022-09-27","21:54:34",""
"7130780","10.8722","0.0009","17.1728","0.0014","22.0695","0.0018","90","","90.648","0.001","90","","4120.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Cl2 N2 P2 Ru -","- C48 H42 Cl2 N2 P2 Ru -","- C192 H168 Cl8 N8 P8 Ru4 -","4","1","","Cena, Nicolas; Peloquin, Andrew J.; Boatz, Jerry A.; Costa, Sarah; Gralinski, Steven R.; Balch, Alan L.; Ghiassi, Kamran B.","Metal-mediated rearrangement of 1,2-diphenylhydrazine to ortho-semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(ii)","Chemical Communications","2022","","","","","10.1039/D2CC04500A","","","0.71073","MoKα","","0.029","0.026","","","0.0618","0.064","","","","","","1.048","","","","has coordinates","278266","2022-09-29","21:54:36",""
"7130781","12.798","0.003","12.949","0.003","24.832","0.005","90","","90","","90","","4115.2","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 Cl2 N2 P2 Ru -","- C48 H42 Cl2 N2 P2 Ru -","- C192 H168 Cl8 N8 P8 Ru4 -","4","1","","Cena, Nicolas; Peloquin, Andrew J.; Boatz, Jerry A.; Costa, Sarah; Gralinski, Steven R.; Balch, Alan L.; Ghiassi, Kamran B.","Metal-mediated rearrangement of 1,2-diphenylhydrazine to ortho-semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(ii)","Chemical Communications","2022","","","","","10.1039/D2CC04500A","","","0.71073","MoKα","","0.044","0.0358","","","0.0739","0.0781","","","","","","1.045","","","","has coordinates","278266","2022-09-29","21:54:37",""
"7130782","17.3621","","17.3621","","24.0711","","90","","90","","120","","6283.93","","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","qtz ZIF-8","qtz [Zn(mIm)2]","qtz","- C192 H240 N96 Zn24 -","- C16 H20 N8 Zn2 -","- C192 H240 N96 Zn24 -","12","1","","Thorne, Michael Francis; Castillo Blas, Celia; McHugh, Lauren Nicole; Bumstead, Alice M.; Robertson, Georgina; Sapnik, Adam; Coates, Chloe Simone; Sayed, Farheen N.; Grey, Clare P.; Keen, David A.; Etter, Martin; da Silva, Ivan; Užarević, Krunoslav; Bennett, Thomas Douglas","Formation of new crystalline qtz-[Zn(mIm)2] polymorph from amorphous ZIF-8","Chemical Communications","2022","","","","","10.1039/D2CC04241J","powder diffraction","","0.82697","synchrotron","","","","","","","","","","","","","","","","","has coordinates","278276","2022-09-30","21:50:58",""
"7130783","13.8144","0.0007","10.197","0.0005","13.8537","0.0007","90","","91.326","0.001","90","","1950.98","0.17","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn(purine)Br","","- C10 H6 Br2 N8 Zn2 -","- C10 H6 Br2 N8 Zn2 -","- C40 H24 Br8 N32 Zn8 -","4","1","","Lyndon, Richelle; Wang, Yuxiang; Walton, Ian; Ma, Yao; Liu, Yang; Yu, Zhenzi; Zhu, Guanghui; Berens, Samuel; Chen, Yu-Sheng; Wang, SuYin G.; Vasenkov, Sergey; Sholl, David S.; Walton, Krista; Pang, Simon H.; Lively, Ryan","Unblocking A Rigid Purine MOF for Kinetic Separation of Xylenes","Chemical Communications","2022","","","","","10.1039/D2CC04387D","","","0.41328","synchrotron","","0.0389","0.0322","","","0.0718","0.0776","","","","","","1.112","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7130784","14.0372","0.0018","10.1884","0.0013","14.0589","0.0019","90","","92.057","0.003","90","","2009.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn(purine)I","","- C10 H6 I2 N8 Zn2 -","- C10 H6 I2 N8 Zn2 -","- C40 H24 I8 N32 Zn8 -","4","1","","Lyndon, Richelle; Wang, Yuxiang; Walton, Ian; Ma, Yao; Liu, Yang; Yu, Zhenzi; Zhu, Guanghui; Berens, Samuel; Chen, Yu-Sheng; Wang, SuYin G.; Vasenkov, Sergey; Sholl, David S.; Walton, Krista; Pang, Simon H.; Lively, Ryan","Unblocking A Rigid Purine MOF for Kinetic Separation of Xylenes","Chemical Communications","2022","","","","","10.1039/D2CC04387D","","","0.41328","synchrotron","","0.0983","0.0789","","","0.1968","0.2071","","","","","","1.118","","","","has coordinates","278277","2022-09-30","21:51:36",""
"7130785","5.9968","0.0007","5.9968","0.0007","5.9968","0.0007","90","","90","","90","","215.65","0.04","293","2","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C Br3 N2 Pb -","- C0.9996 Br3 N2 Pb -","- C0.9996 Br3 N2 Pb -","1","0.0208333","","Li, Chengmin; Juarez-Perez, Emilio J.; Mayoral, Alvaro","Atomic understanding of Formamidinium Hybrid Halide Perovskite, FAPbBr3","Chemical Communications","2022","","","","","10.1039/D2CC04124C","","","0.02508","","","0.1608","0.1601","","","0.3246","0.3266","","","","","","1.595","","","","has coordinates","278278","2022-09-30","21:52:21",""
"7130786","8.4","","8.4","","14.5","","90","","90","","90","","1023.12","","293","","293","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Br0.62 N0.12 Pb0.25 -","- Br0.625 N0.125 Pb0.25 -","- Br20 N4 Pb8 -","32","1","","Li, Chengmin; Juarez-Perez, Emilio J.; Mayoral, Alvaro","Atomic understanding of Formamidinium Hybrid Halide Perovskite, FAPbBr3","Chemical Communications","2022","","","","","10.1039/D2CC04124C","","","0.02508","","","0.234","0.2093","","","0.5218","0.5346","","","","","","1.806","","","","has coordinates","278278","2022-09-30","21:52:21",""
"7130787","9.5046","0.0012","10.4709","0.0013","27.185","0.003","90","","95.971","0.002","90","","2690.8","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Br O P -","- C30 H32 Br O P -","- C120 H128 Br4 O4 P4 -","4","1","","Toda, Yasunori; Shiokawa, Ryota; Iwasaki, Masaya; Yamaguchi, Daisuke; Kawamura, Keisuke; Sukegawa, Kimiya; Suga, Hiroyuki","Tetraarylphosphonium salt-catalyzed formal [3+2] cycloaddition between epoxides and trichloroacetonitrile for the synthesis of β-amino alcohol derivatives.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03782c","","","0.71073","MoKα","","0.0778","0.0425","","","0.1052","0.116","","","","","","1.178","","","","has coordinates","278333","2022-10-04","21:53:38",""
"7130788","5.8297","0.0007","14.516","0.0018","17.059","0.002","80.5156","0.0016","88.5593","0.0016","80.2619","0.0016","1403.3","0.3","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 Cl12 N4 O12 -","- C44 H48 Cl12 N4 O12 -","- C44 H48 Cl12 N4 O12 -","1","1","","Toda, Yasunori; Shiokawa, Ryota; Iwasaki, Masaya; Yamaguchi, Daisuke; Kawamura, Keisuke; Sukegawa, Kimiya; Suga, Hiroyuki","Tetraarylphosphonium salt-catalyzed formal [3+2] cycloaddition between epoxides and trichloroacetonitrile for the synthesis of β-amino alcohol derivatives.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03782c","","","0.71073","MoKα","","0.052","0.0385","","","0.0809","0.0876","","","","","","1.25","","","","has coordinates","278333","2022-10-04","21:53:39",""
"7130789","8.3942","0.001","9.6982","0.001","13.6896","0.0018","92.332","0.005","107.744","0.004","92.932","0.003","1058.2","0.2","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","[Am(mpo)2(u-O-mpo)(H2O)]2?3H2O","","- C15 H20 Am N3 O7 S3 -","- C15 H20 Am N3 O7 S3 -","- C30 H40 Am2 N6 O14 S6 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0406","0.0392","","","0.096","0.0973","","","","","","1.178","","","","has coordinates","278335","2022-10-04","21:56:35",""
"7130790","7.4507","0.0008","11.1249","0.0013","13.1555","0.0016","111.452","0.003","93.982","0.003","91.03","0.003","1011.3","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Ho N3 O6 S3 -","- C15 H18 Ho N3 O6 S3 -","- C30 H36 Ho2 N6 O12 S6 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0402","0.0269","","","0.0457","0.0486","","","","","","1.131","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130791","10.0543","0.0013","9.9635","0.0013","19.422","0.003","90","","94.902","0.004","90","","1938.5","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Eu(mpo)2(mu-O-mpo)(H2O)]2","","- C15 H14 Eu N3 O4 S3 -","- C15 H14 Eu N3 O4 S3 -","- C60 H56 Eu4 N12 O16 S12 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0335","0.0253","","","0.0477","0.0511","","","","","","1.127","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130792","7.4092","0.0003","11.0676","0.0005","13.0778","0.0006","111.325","0.002","94.072","0.002","91.141","0.002","995.25","0.08","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Lu N3 O6 S3 -","- C15 H19 Lu N3 O6 S3 -","- C30 H38 Lu2 N6 O12 S6 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0194","0.0167","","","0.0393","0.0408","","","","","","1.086","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130793","10.0345","0.0007","9.9366","0.0007","19.3797","0.0013","90","","94.848","0.002","90","","1925.4","0.2","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Gd(mpo)2(mu-O-mpo)(H2O)]2","","- C15 H14 Gd N3 O4 S3 -","- C15 H14 Gd N3 O4 S3 -","- C60 H56 Gd4 N12 O16 S12 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0532","0.0336","","","0.0569","0.0628","","","","","","1.091","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130794","7.4805","0.0009","11.1541","0.0015","13.1843","0.0017","111.472","0.003","93.931","0.003","91.055","0.003","1020.2","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Dy N3 O6 S3 -","- C15 H18 Dy N3 O6 S3 -","- C30 H36 Dy2 N6 O12 S6 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0385","0.0312","","","0.0722","0.0771","","","","","","1.121","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130795","10.0701","0.0015","9.965","0.0014","19.421","0.003","90","","94.919","0.004","90","","1941.7","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O4 S3 Sm -","- C15 H14 N3 O4 S3 Sm -","- C60 H56 N12 O16 S12 Sm4 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0389","0.0296","","","0.0666","0.0719","","","","","","1.106","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130796","7.4398","0.0009","11.1083","0.0014","13.1269","0.0016","111.312","0.003","94.019","0.003","91.182","0.003","1006.9","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 N3 O6 S3 Tm -","- C15 H18 N3 O6 S3 Tm -","- C30 H36 N6 O12 S6 Tm2 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0264","0.0232","","","0.056","0.0586","","","","","","1.183","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130797","10.1252","0.0002","9.9839","0.0002","19.5248","0.0005","90","","95.005","0.001","90","","1966.22","0.07","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Nd(mpo)2(mu-O-mpo)(H2O)]2","","- C15 H14 N3 Nd O4 S3 -","- C15 H14 N3 Nd O4 S3 -","- C60 H56 N12 Nd4 O16 S12 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0467","0.0383","","","0.0805","0.0847","","","","","","1.176","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130798","10.1531","0.0002","10.0034","0.0002","19.5478","0.0005","90","","95.044","0.001","90","","1977.69","0.08","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O4 Pr S3 -","- C15 H14 N3 O4 Pr S3 -","- C60 H56 N12 O16 Pr4 S12 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0573","0.0351","","","0.0654","0.0728","","","","","","1.029","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130799","7.4437","0.0001","11.098","0.0002","13.1205","0.0002","111.41","0.001","94.023","0.001","91.07","0.001","1005.46","0.03","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Er2 N6 O12 S6 -","- C30 H36 Er2 N6 O12 S6 -","- C30 H36 Er2 N6 O12 S6 -","1","0.5","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0452","0.0291","","","0.0485","0.0525","","","","","","1.019","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130800","10.061","0.003","9.949","0.003","19.421","0.005","90","","94.797","0.007","90","","1937.2","1","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Tb(mpo)2(mu-O-mpo)(H2O)]2","","- C15 H14 N3 O4 S3 Tb -","- C15 H14 N3 O4 S3 Tb -","- C60 H56 N12 O16 S12 Tb4 -","4","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0194","0.0183","","","0.0442","0.0452","","","","","","1.149","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130801","7.4273","0.0003","11.0844","0.0004","13.0835","0.0005","111.299","0.002","94.085","0.002","91.071","0.002","999.86","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 N3 O6 S3 Yb -","- C15 H18 N3 O6 S3 Yb -","- C30 H36 N6 O12 S6 Yb2 -","2","1","","Huffman, Zachary K.; Sperling, Joseph M.; Windorff, Cory J.; Long, Brian N.; Cordova, Lucas; Ramanantoanina, Harry; Celis-Barros, Cristian; Albrecht-Schönzart, Thomas E.","Synthesis and characterization of a bimetallic americium(iii) pyrithionate coordination complex","Chemical Communications","2022","","","","","10.1039/D2CC03352F","","","0.71073","MoKα","","0.0235","0.0204","","","0.0499","0.0511","","","","","","1.101","","","","has coordinates","278335","2022-10-04","21:56:36",""
"7130802","10.344","0.0002","10.8041","0.0002","12.4387","0.0002","66.953","0.001","81.968","0.001","84.767","0.001","1265.6","0.04","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Cl N6 P -","- C22 H40 Cl N6 P -","- C44 H80 Cl2 N12 P2 -","2","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0308","0.0288","","","0.0747","0.0761","","","","","","1.029","","","","has coordinates","278336","2022-10-04","21:59:07",""
"7130803","10.471","0.0002","11.9664","0.0003","12.7029","0.0003","79.355","0.001","73.785","0.001","74.405","0.001","1461.71","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H49 N6 P Si -","- C26 H49 N6 P Si -","- C52 H98 N12 P2 Si2 -","2","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0616","0.0463","","","0.1129","0.1216","","","","","","1.018","","","","has coordinates,has disorder","278336","2022-10-04","21:59:08",""
"7130804","12.5776","0.0004","14.1333","0.0004","18.1953","0.0006","90","","90","","90","","3234.45","0.17","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H53 Au Cl N6 P Si -","- C26 H53 Au Cl N6 P Si -","- C104 H212 Au4 Cl4 N24 P4 Si4 -","4","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0413","0.0355","","","0.082","0.0845","","","","","","1.121","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130805","11.0192","0.0005","11.9241","0.0005","12.4677","0.0005","79.803","0.003","73.474","0.003","78.577","0.003","1526.65","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H53 N6 P Si -","- C26 H53 N6 P Si -","- C52 H106 N12 P2 Si2 -","2","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0727","0.0559","","","0.1559","0.1663","","","","","","1.082","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130806","20.0953","0.0008","10.1679","0.0004","17.1211","0.0007","90","","90","","90","","3498.3","0.2","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H52 Cu F2 N6 P Si -","- C32 H52 Cu F2 N6 P Si -","- C128 H208 Cu4 F8 N24 P4 Si4 -","4","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0579","0.0506","","","0.1236","0.1285","","","","","","1.08","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130807","26.3923","0.0006","5.8698","0.0001","26.0141","0.0006","90","","116.927","0.001","90","","3593.12","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(sItBuN)2PCl","","- C34 H54 Cl F2 N6 P -","- C34 H54 Cl F2 N6 P -","- C136 H216 Cl4 F8 N24 P4 -","4","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0497","0.0484","","","0.1227","0.1238","","","","","","1.194","","","","has coordinates,has disorder","278336","2022-10-04","21:59:08",""
"7130808","21.6481","0.0009","18.7415","0.0008","22.4951","0.0009","90","","90","","90","","9126.7","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H73 Cu2 N6 O2 P Si -","- C40 H73 Cu2 N6 O2 P Si -","- C320 H584 Cu16 N48 O16 P8 Si8 -","8","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0672","0.0527","","","0.1432","0.1538","","","","","","1.121","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130809","10.581","0.006","11.314","0.005","14.595","0.009","91.596","0.014","106.105","0.017","99.6","0.02","1650.1","1.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","2","","Sisodiya, Shailendra; Acharya, Ayan; Nagpure, Mithilesh; Roy, Nibedita; Giri, Santosh K.; Yadav, Hare Ram; R Choudhury, Angshuman; Guchhait, Sankar K.","A cascade reaction of indolyl-migratory isocyanide insertion, scaffold rearrangement and redox-neutral event with isocyanide as a C<sub>(sp<sup>3</sup>)</sub>H-N synthon efficiently constructs indolylisoindolinones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc04273h","","","0.71075","MoKα","","0.2459","0.1109","","","0.2658","0.3776","","","","","","1.033","","","","has coordinates","278337","2022-10-04","21:59:55",""
"7130810","8.9971","0.0009","12.0737","0.0012","26.66","0.003","90","","90","","90","","2896","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl N2 O2 Ru -","- C27 H35 Cl N2 O2 Ru -","- C108 H140 Cl4 N8 O8 Ru4 -","4","1","","Thongpaen, Jompol; Manguin, Romane; Kittikool, Tanakorn; Camy, Aurèle; Roisnel, Thierry; Dorcet, Vincent; Yotphan, Sirilata; Canac, Yves; Mauduit, Marc; Baslé, Olivier","Ruthenium-NHC complex-catalyzed P(III)-directed C-H borylation of arylphosphines.","Chemical communications (Cambridge, England)","2022","58","86","12082","12085","10.1039/d2cc03909e","","x-ray","0.71073","MoKα","","0.0547","0.0536","","","0.1256","0.1262","","","","","","1.172","","","","has coordinates","278964","2022-11-07","05:08:21",""
"7130811","10.1024","0.0018","21.259","0.004","10.8649","0.0019","90","","102.016","0.005","90","","2282.3","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C24 H29 Cl N2 O2 Ru -","- C24 H29 Cl N2 O2 Ru -","- C96 H116 Cl4 N8 O8 Ru4 -","4","2","","Thongpaen, Jompol; Manguin, Romane; Kittikool, Tanakorn; Camy, Aurèle; Roisnel, Thierry; Dorcet, Vincent; Yotphan, Sirilata; Canac, Yves; Mauduit, Marc; Baslé, Olivier","Ruthenium-NHC complex-catalyzed P(III)-directed C-H borylation of arylphosphines.","Chemical communications (Cambridge, England)","2022","58","86","12082","12085","10.1039/d2cc03909e","","x-ray","0.71073","MoKα","","0.1203","0.0787","","","0.1451","0.1575","","","","","","1.139","","","","has coordinates,has disorder","278964","2022-11-07","05:08:31",""
"7130812","5.8791","0.0003","14.5329","0.0006","22.0105","0.0009","90","","96.175","0.003","90","","1869.67","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O2 S -","- C24 H20 O2 S -","- C96 H80 O8 S4 -","4","1","","More, Sayaji Arjun; Sadaphal, Vikas Ashokrao; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Reactions of thioalkynes with diarylketenes <i>via</i> [3+2]-annulation <i>versus</i> benzannulation using Au and P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> catalysts.","Chemical communications (Cambridge, England)","2022","58","72","10064","10067","10.1039/d2cc03613d","","","0.71073","MoKα","","0.0523","0.0388","","","0.0876","0.0953","","","","","","1.02","","","","has coordinates","278356","2022-10-05","02:22:39",""
"7130813","8.5967","0.0008","8.8188","0.0008","11.0107","0.0011","82.083","0.005","74.736","0.005","63.889","0.004","722.88","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","More, Sayaji Arjun; Sadaphal, Vikas Ashokrao; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Reactions of thioalkynes with diarylketenes <i>via</i> [3+2]-annulation <i>versus</i> benzannulation using Au and P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> catalysts.","Chemical communications (Cambridge, England)","2022","58","72","10064","10067","10.1039/d2cc03613d","","","0.71073","MoKα","","0.051","0.0401","","","0.0969","0.1046","","","","","","1.06","","","","has coordinates","278356","2022-10-05","02:22:42",""
"7130814","13.9643","0.0003","10.0272","0.0002","13.369","0.0003","90","","96.154","0.002","90","","1861.18","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O2 S -","- C24 H20 O2 S -","- C96 H80 O8 S4 -","4","1","","More, Sayaji Arjun; Sadaphal, Vikas Ashokrao; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Reactions of thioalkynes with diarylketenes <i>via</i> [3+2]-annulation <i>versus</i> benzannulation using Au and P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> catalysts.","Chemical communications (Cambridge, England)","2022","58","72","10064","10067","10.1039/d2cc03613d","","x-ray","1.54184","CuKα","","0.0366","0.032","","","0.0821","0.0844","","","","","","1.072","","","","has coordinates","278356","2022-10-05","02:22:45",""
"7130815","18.1663","0.0011","15.0546","0.0009","22.1448","0.0014","90","","98.161","0.002","90","","5995","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O3 S -","- C25 H22 O3 S -","- C300 H264 O36 S12 -","12","3","","More, Sayaji Arjun; Sadaphal, Vikas Ashokrao; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Reactions of thioalkynes with diarylketenes <i>via</i> [3+2]-annulation <i>versus</i> benzannulation using Au and P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> catalysts.","Chemical communications (Cambridge, England)","2022","58","72","10064","10067","10.1039/d2cc03613d","","","0.71073","MoKα","","0.056","0.0388","","","0.093","0.1022","","","","","","1.03","","","","has coordinates","278356","2022-10-05","02:22:45",""
"7130816","8.9554","0.0008","21.609","0.002","10.7441","0.0011","90","","101.285","0.003","90","","2039","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F3 N O8 S -","- C16 H22 F3 N O8 S -","- C64 H88 F12 N4 O32 S4 -","4","1","","Fiorentino, Antonio; Sachini, Brian; Corra, Stefano; Credi, Alberto; Femoni, Cristina; Fraix, Aurore; Silvi, Serena","Acidochromism of donor-acceptor Stenhouse adducts in organic solvent.","Chemical communications (Cambridge, England)","2022","58","80","11236","11239","10.1039/d2cc03761k","","","0.71073","MoKα","","0.1063","0.0915","","","0.1852","0.1906","","","","","","1.231","","","","has coordinates","278381","2022-10-06","21:54:21",""
"7130817","10.2011","0.0018","12.202","0.002","16.775","0.003","90","","90","","90","","2088","0.6","77","2","77","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F3 N3 O7 S -","- C16 H22 F3 N3 O7 S -","- C64 H88 F12 N12 O28 S4 -","4","1","","Fiorentino, Antonio; Sachini, Brian; Corra, Stefano; Credi, Alberto; Femoni, Cristina; Fraix, Aurore; Silvi, Serena","Acidochromism of donor-acceptor Stenhouse adducts in organic solvent.","Chemical communications (Cambridge, England)","2022","58","80","11236","11239","10.1039/d2cc03761k","","","0.71073","MoKα","","0.1886","0.1399","","","0.2854","0.3109","","","","","","1.214","","","","has coordinates,has disorder","278381","2022-10-06","21:54:22",""
"7130818","8.2779","0.0017","8.2797","0.0017","13.137","0.003","91","0.03","94.52","0.03","119.13","0.03","782.4","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Fe I N O3 S -","- C15 H10 Fe I N O3 S -","- C30 H20 Fe2 I2 N2 O6 S2 -","2","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei; Wang, Yin-Peng; Chen, Shuai","Biomimetic Models of [Fe]-Hydrogenase Featuring a 2-Acylphenylthiomethyl-6-R-pyridine (R = H or OMe) Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04523K","","","0.71073","MoKα","","0.0473","0.04","","","0.0845","0.0867","","","","","","0.786","","","","has coordinates","278382","2022-10-06","21:55:06",""
"7130819","7.7561","0.0002","12.2662","0.0003","18.2643","0.0006","90","","90","","90","","1737.63","0.08","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Fe I N O4 S -","- C16 H12 Fe I N O4 S -","- C64 H48 Fe4 I4 N4 O16 S4 -","4","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei; Wang, Yin-Peng; Chen, Shuai","Biomimetic Models of [Fe]-Hydrogenase Featuring a 2-Acylphenylthiomethyl-6-R-pyridine (R = H or OMe) Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04523K","","","0.71073","MoKα","","0.0365","0.0337","","","0.0812","0.0839","","","","","","1.07","","","","has coordinates","278382","2022-10-06","21:55:15",""
"7130820","10.4876","0.0004","10.0201","0.0003","19.9689","0.0006","90","","92.1419","0.0013","90","","2097","0.12","203","","203","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C92 H120 N8 O12 -","4","1","","Nakashima, Yusei; Ishimaru, Shinya; Nishikata, Takashi","Trans-selective cyclizations of alpha-bromocarboxamides and E/Z-mixed internal olefins catalyzed by a Fe salt","Chemical Communications","2022","","","","","10.1039/D2CC04796A","","","0.71075","MoKα","","0.0632","0.0467","","","0.1057","0.1139","","","","","","1.053","","","","has coordinates","278383","2022-10-06","21:56:38",""
"7130821","18.9502","0.0002","9.6145","0.0001","21.1384","0.0002","90","","104.113","0.001","90","","3735.1","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 Ca N4 -","- C49 H43 Ca N4 -","- C196 H172 Ca4 N16 -","4","1","","Baguli, Sudip; Das, Shovan; Chakraborty, Mahua; Goswami, Santu; Datta, Ayan; Mukherjee, Debabrata","[(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2-: an ‘all-organic’ hybrid and flexible ligand that enwraps a Ca2+ pseudo-tetrahedrally.","Chemical Communications","2022","","","","","10.1039/D2CC04700D","","x-ray","1.54184","CuKα","","0.038","0.0355","","","0.0951","0.0974","","","","","","1.06","","","","has coordinates","278384","2022-10-06","21:57:25",""
"7130822","9.5409","0.0002","15.2405","0.0002","15.82","0.0002","111.179","0.002","105.993","0.001","97.243","0.001","1995.57","0.07","100.01","0.11","100.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 Ca N5 Si2 -","- C43 H49 Ca N5 Si2 -","- C86 H98 Ca2 N10 Si4 -","2","1","","Baguli, Sudip; Das, Shovan; Chakraborty, Mahua; Goswami, Santu; Datta, Ayan; Mukherjee, Debabrata","[(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2-: an ‘all-organic’ hybrid and flexible ligand that enwraps a Ca2+ pseudo-tetrahedrally.","Chemical Communications","2022","","","","","10.1039/D2CC04700D","","x-ray","1.54184","CuKα","","0.0413","0.0352","","","0.0908","0.0944","","","","","","1.063","","","","has coordinates","278384","2022-10-06","21:57:25",""
"7130823","12.1137","0.0001","30.6579","0.0003","15.4796","0.0001","90","","90","","90","","5748.82","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C57 H65 Li2 N5 Si2 -","- C57 H65 Li2 N5 Si2 -","- C228 H260 Li8 N20 Si8 -","4","1","","Baguli, Sudip; Das, Shovan; Chakraborty, Mahua; Goswami, Santu; Datta, Ayan; Mukherjee, Debabrata","[(Flu)-(CH2)2-(NHC)-CH2-(NHC)-(CH2)2-(Flu)]2-: an ‘all-organic’ hybrid and flexible ligand that enwraps a Ca2+ pseudo-tetrahedrally.","Chemical Communications","2022","","","","","10.1039/D2CC04700D","","x-ray","1.54184","CuKα","","0.0555","0.0526","","","0.1424","0.145","","","","","","1.057","","","","has coordinates","278384","2022-10-06","21:57:25",""
"7130824","17.5759","0.0005","11.011","0.0004","36.5877","0.0012","90","","90.469","0.001","90","","7080.5","0.4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 Cl N3 O2 P -","- C33 H47 Cl N3 O2 P -","- C264 H376 Cl8 N24 O16 P8 -","8","1","","Bawari, Deependra; Volodarsky , Solomon; Ginzburg, Yael; Jaiswal, Kuldeep; Joshi, Pooja; Dobrovetsky, Roman","Intramolecular C−N Bond Activation by Geometrically Constrained PIII-Centre","Chemical Communications","2022","","","","","10.1039/D2CC04359A","","","0.71073","MoKα","","0.0706","0.0513","","","0.1178","0.1264","","","","","","1.024","","","","has coordinates,has disorder","278385","2022-10-06","21:58:36",""
"7130825","18.272","0.0006","16.6838","0.0005","10.9853","0.0004","90","","98.631","0.001","90","","3310.9","0.19","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 N2 O3 P -","- C34 H52 N2 O3 P -","- C136 H208 N8 O12 P4 -","4","1","","Bawari, Deependra; Volodarsky , Solomon; Ginzburg, Yael; Jaiswal, Kuldeep; Joshi, Pooja; Dobrovetsky, Roman","Intramolecular C−N Bond Activation by Geometrically Constrained PIII-Centre","Chemical Communications","2022","","","","","10.1039/D2CC04359A","","","0.71073","MoKα","","0.0547","0.041","","","0.0991","0.1066","","","","","","1.042","","","","has coordinates","278385","2022-10-06","21:58:37",""
"7130826","36.162","0.005","5.9937","0.0008","29.921","0.004","90","","100.186","0.004","90","","6383","1.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RomanTA41b","","","- C33 H46 N3 O2 P -","- C33 H46 N3 O2 P -","- C264 H368 N24 O16 P8 -","8","1","","Bawari, Deependra; Volodarsky , Solomon; Ginzburg, Yael; Jaiswal, Kuldeep; Joshi, Pooja; Dobrovetsky, Roman","Intramolecular C−N Bond Activation by Geometrically Constrained PIII-Centre","Chemical Communications","2022","","","","","10.1039/D2CC04359A","","","0.71073","MoKα","","0.1482","0.0661","","","0.1625","0.2046","","","","","","1.006","","","","has coordinates","278385","2022-10-06","21:58:37",""
"7130827","13.9369","0.0007","14.1054","0.0008","14.7011","0.0008","86.84","0.003","84.371","0.003","88.463","0.003","2871","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 N2 O2 P -","- C30 H45 N2 O2 P -","- C120 H180 N8 O8 P4 -","4","2","","Bawari, Deependra; Volodarsky , Solomon; Ginzburg, Yael; Jaiswal, Kuldeep; Joshi, Pooja; Dobrovetsky, Roman","Intramolecular C−N Bond Activation by Geometrically Constrained PIII-Centre","Chemical Communications","2022","","","","","10.1039/D2CC04359A","","","0.71073","MoKα","","0.1692","0.068","","","0.1375","0.1754","","","","","","0.969","","","","has coordinates,has disorder","278385","2022-10-06","21:58:37",""
"7130828","13.7426","0.0011","13.7426","0.0011","13.7426","0.0011","90","","90","","90","","2595.4","0.4","298","2","298","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C8 H24 Am K N8 O18 -","- C7.9992 Am K N8 O18 -","- C31.9968 Am4 K4 N32 O72 -","4","0.0208333","","Tarlton, Michael Lloyd; Skanthakumar, Suntharalimgam; Vallet, Valérie; Wilson, Richard","Hexanitrato complexes and hybrid double perovskites of Am3+ and Cm3+","Chemical Communications","2022","","","","","10.1039/D2CC05162A","","","0.71073","MoKα","","0.0134","0.0134","","","0.0314","0.0314","","","","","","1.093","","","","has coordinates","278490","2022-10-07","21:55:13",""
"7130829","13.7469","0.0011","13.7469","0.0011","13.7469","0.0011","90","","90","","90","","2597.9","0.4","300","2","300","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C8 H24 Cm K N8 O18 -","- C7.9992 Cm K N8 O18 -","- C31.9968 Cm4 K4 N32 O72 -","4","0.0208333","","Tarlton, Michael Lloyd; Skanthakumar, Suntharalimgam; Vallet, Valérie; Wilson, Richard","Hexanitrato complexes and hybrid double perovskites of Am3+ and Cm3+","Chemical Communications","2022","","","","","10.1039/D2CC05162A","","","0.71073","MoKα","","0.0133","0.0133","","","0.0304","0.0304","","","","","","1.018","","","","has coordinates","278490","2022-10-07","21:55:24",""
"7130830","17.4624","0.0004","9.9083","0.0001","19.954","0.0003","90","","106.936","0.002","90","","3302.76","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H15 F14 N2 O5 P -","- C38 H15 F14 N2 O5 P -","- C152 H60 F56 N8 O20 P4 -","4","1","","Ma, Zetong; Liu, Yujian; Wang, Z.-H.; Jiang, Wei","One-pot heteroannulation toward phosphaperylene diimides with high luminescence and out-of-plane anisotropy","Chemical Communications","2022","","","","","10.1039/D2CC04784E","","","1.54184","CuKα","","0.0611","0.0479","","","0.1292","0.1401","","","","","","1.048","","","","has coordinates","278491","2022-10-07","21:56:26",""
"7130831","34.0447","0.0012","5.7951","0.0002","26.8127","0.001","90","","94.674","0.004","90","","5272.4","0.3","223","2","223.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H21 Cl9 F14 N2 O6 P2 -","- C47 H21 Cl9 F14 N2 O6 P2 -","- C188 H84 Cl36 F56 N8 O24 P8 -","4","0.5","","Ma, Zetong; Liu, Yujian; Wang, Z.-H.; Jiang, Wei","One-pot heteroannulation toward phosphaperylene diimides with high luminescence and out-of-plane anisotropy","Chemical Communications","2022","","","","","10.1039/D2CC04784E","","","0.71073","MoKα","","0.1026","0.0891","","","0.2578","0.2724","","","","","","1.059","","","","has coordinates","278491","2022-10-07","21:56:26",""
"7130832","17.5562","0.0011","11.4446","0.0005","20.8876","0.0013","90","","97.757","0.006","90","","4158.4","0.4","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H20 Cl2 F14 N2 O6 P2 -","- C45 H20 Cl2 F14 N2 O6 P2 -","- C180 H80 Cl8 F56 N8 O24 P8 -","4","1","","Ma, Zetong; Liu, Yujian; Wang, Z.-H.; Jiang, Wei","One-pot heteroannulation toward phosphaperylene diimides with high luminescence and out-of-plane anisotropy","Chemical Communications","2022","","","","","10.1039/D2CC04784E","","","0.71073","MoKα","","0.1553","0.0762","","","0.1623","0.2013","","","","","","1.017","","","","has coordinates,has disorder","278491","2022-10-07","21:56:26",""
"7130833","10.45953","0.00019","13.5092","0.0003","19.3396","0.0004","90","","90","","90","","2732.68","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 P -","- C31 H32 N O3 P -","- C124 H128 N4 O12 P4 -","4","1","","Jia, Yun-Qing; Zhao, Jian-Qiang; Wang, Zhen-Hua; You, Yong; Zhang, Yan-Ping; Jin, Xin; Zhou, Ming-Qiang; Ge, Zhen-Zhen; Yuan, Wei-Cheng","Catalytic enantioselective hydrophosphinylation of <i>in situ</i>-generated indole-derived vinylogous imines to access 3-(1-diphenylphosphoryl-arylmethyl)indoles.","Chemical communications (Cambridge, England)","2022","58","86","12062","12065","10.1039/d2cc04763b","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1048","0.1077","","","","","","1.032","","","","has coordinates","278961","2022-11-07","05:07:00",""
"7130834","30.9076","0.0013","57.925","0.002","32.2149","0.0016","90","","109.355","0.002","90","","54415","4","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H342 Co12 Mo80 N24 O489 P36 Pb4 -","- C84 H84 Co12 Mo80 N24 O360 P36 Pb4 -","- C336 H336 Co48 Mo320 N96 O1440 P144 Pb16 -","4","0.5","","Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli","Self-assembly of a novel multicomponent polyoxometalate-based tetrahedral supercluster with high catalytic activity for thioether oxidation","Chemical Communications","2022","","","","","10.1039/D2CC02748H","","x-ray","0.71073","MoKα","K-L~3~","0.0616","0.0429","","","0.1036","0.1138","","","","","","1.037","","","","has coordinates","278510","2022-10-10","21:55:54",""
"7130835","13.6104","0.0008","13.6104","0.0008","9.8","0.0005","90","","90","","90","","1815.38","0.18","100","","200","","","","","","","","","5","I -4","I -4","82","TSCl","Tetrakis(4-sulfonylchloridephenyl)methane","","- C25 H16 Cl4 O8 S4 -","- C25 H16 Cl4 O8 S4 -","- C50 H32 Cl8 O16 S8 -","2","0.25","","O'Shaughnessy, Megan; Spackman, Peter A.; Little, Marc; Catalano, Luca; James, Alex Michael; Day, Graeme Matthew; Cooper, Andrew","Targeted design of porous materials without strong, directional interactions","Chemical Communications","2022","","","","","10.1039/D2CC04682B","","x-ray","0.71073","MoKα","","0.0541","0.0483","","","0.1293","0.1345","","","","","","1.095","","","","has coordinates,has disorder","278511","2022-10-10","21:56:27",""
"7130836","15.6791","0.0003","19.9517","0.0004","18.0668","0.0003","90","","110.201","0.008","90","","5304.1","0.3","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Boroxine macrocycle","","- C54 H75 B3 O9 -","- C54 H75 B3 O9 -","- C216 H300 B12 O36 -","4","0.5","","Ono, Kosuke; Onodera, Satoru; Kawai, Hidetoshi","Boroxine template for macrocyclization and postfunctionalization","Chemical Communications","2022","","","","","10.1039/D2CC04691A","","","1.54187","CuKα","","0.1492","0.083","","","0.169","0.1976","","","","","","1.054","","","","has coordinates,has disorder","278512","2022-10-10","21:57:27",""
"7130837","17.5653","0.0019","4.4815","0.0005","24.06","0.002","90","","93.245","0.011","90","","1890.9","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 F3 N2 O -","- C9 H5 F3 N2 O -","- C72 H40 F24 N16 O8 -","8","1","","Lin, Bo; Yao, Yunfei; Huang, Yangjie; Lin, Qi; Weng, Zhiqiang","Regioselective synthesis of 3-trifluoromethyl 1,2,4-triazoles via photocycloaddition of sydnone with CF3CN","Chemical Communications","2022","","","","","10.1039/D2CC03928A","","","1.54178","CuKα","","0.0998","0.0778","","","0.2165","0.2352","","","","","","1.096","","","","has coordinates","278513","2022-10-10","21:58:10",""
"7130838","7.3715","0.0007","15.6061","0.0016","11.7583","0.0014","90","","106.836","0.004","90","","1294.7","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N3 -","- C15 H10 F3 N3 -","- C60 H40 F12 N12 -","4","1","","Lin, Bo; Yao, Yunfei; Huang, Yangjie; Lin, Qi; Weng, Zhiqiang","Regioselective synthesis of 3-trifluoromethyl 1,2,4-triazoles via photocycloaddition of sydnone with CF3CN","Chemical Communications","2022","","","","","10.1039/D2CC03928A","","","0.71073","MoKα","","0.1073","0.0541","","","0.1185","0.1393","","","","","","1.014","","","","has coordinates","278513","2022-10-10","21:58:10",""
"7130839","11.7129","0.001","10.303","0.0007","15.414","0.0011","90","","90","","90","","1860.1","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B6 F2 K2 O9 -","- B6 F2 K2 O9 -","- B48 F16 K16 O72 -","8","1","","Chen, Zilong; Li, Zijian; Chu, Dongdong; Zhang, Fangfang; Li, Xiaojing; Yang, Zhihua; Long, Xifa; Pan, Shilie","A2B6O9F2 (A = NH4, K): New members of A2B6O9F2 family with deep-UV cutoff edge and moderate birefringence","Chemical Communications","2022","","","","","10.1039/D2CC04193F","","x-ray","0.71073","MoKα","","0.0558","0.0371","","","0.076","0.0891","","","","","","1.076","","","","has coordinates","278522","2022-10-11","21:55:12",""
"7130840","6.1553","0.0009","12.1758","0.0019","14.5192","0.0017","90","","113.443","0.006","90","","998.3","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B6 F2 H8 N2 O9 -","- B6 F2 H8 N2 O9 -","- B24 F8 H32 N8 O36 -","4","1","","Chen, Zilong; Li, Zijian; Chu, Dongdong; Zhang, Fangfang; Li, Xiaojing; Yang, Zhihua; Long, Xifa; Pan, Shilie","A2B6O9F2 (A = NH4, K): New members of A2B6O9F2 family with deep-UV cutoff edge and moderate birefringence","Chemical Communications","2022","","","","","10.1039/D2CC04193F","","","1.54178","CuKα","","0.045","0.0382","","","0.102","0.1073","","","","","","1.085","","","","has coordinates","278522","2022-10-11","21:55:13",""
"7130841","11.278","0.006","12.642","0.007","16.165","0.009","90","","104.281","0.008","90","","2234","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C96 H92 N4 O16 S8 -","4","1","","Xu, Huaping; Kong, Xiaoyu; Cen, Mengjie; Xu, Ze-Feng; Duan, Shengguo; Li, Chuan-Ying","Synthesis of Dihydropyrroles from In Situ-Generated Zwitterions via Rh2(adc)4/TBAI Dual Catalysis","Chemical Communications","2022","","","","","10.1039/D2CC04674A","","","0.71073","MoKα","","0.0793","0.0472","","","0.1233","0.1419","","","","","","1.012","","","","has coordinates","278523","2022-10-11","21:55:47",""
"7130842","10.224","0.0009","43.467","0.004","7.785","0.0007","90","","90","","90","","3459.7","0.5","298","2","298","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C176 H120 N24 O16 -","8","1","","Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang","A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives","Chemical Communications","2022","","","","","10.1039/D2CC04922H","","","0.71073","MoKα","","0.0805","0.0578","","","0.1571","0.1783","","","","","","1.161","","","","has coordinates","278524","2022-10-11","21:56:36",""
"7130843","4.96443","0.00014","9.1287","0.0002","21.2708","0.0006","80.708","0.002","88.385","0.002","88.576","0.002","950.74","0.04","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Chen, Zhicai; Zhang, Yu; Wang, Pu; Yang, Jiaxin; Yang, Kun; Li, Jianfeng; Yang, Jie; Li, Yongchun; Dong, Huanli; Guo, Xugang","A Class of Electron-Deficient Units: Fluorenone Imide and Its Electron-Withdrawing Group-Functionalized Derivatives","Chemical Communications","2022","","","","","10.1039/D2CC04922H","","x-ray","1.54184","CuKα","","0.0631","0.0544","","","0.1457","0.1521","","","","","","1.05","","","","has coordinates","278524","2022-10-11","21:56:37",""
"7130844","10.6765","0.0001","21.5837","0.0003","24.0601","0.0003","90","","90","","90","","5544.37","0.12","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Al Cl5 F12 N8 O6 -","- C40 H30 Al Cl5 F12 N8 O6 -","- C160 H120 Al4 Cl20 F48 N32 O24 -","4","1","","Matsumoto, Shota; Umeno, Tomohiro; Suzuki, Noriko; Usui, Kazuteru; Kawahata, Masatoshi; Karasawa, Satoru","Chelate-Free “Turn-ON”-Type Fluorescence Detection of Trivalent Metal Ions","Chemical Communications","2022","","","","","10.1039/D2CC04815A","","","1.54184","CuKα","","0.1387","0.127","","","0.3682","0.3879","","","","","","1.676","","","","has coordinates,has disorder","278525","2022-10-11","21:57:41",""
"7130845","7.65252","0.00005","36.6358","0.0002","14.87749","0.0001","90","","104.469","0.0007","90","","4038.71","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-133_7","","- C22 H18 F6 N4 -","- C22 H18 F6 N4 -","- C176 H144 F48 N32 -","8","4","","Matsumoto, Shota; Umeno, Tomohiro; Suzuki, Noriko; Usui, Kazuteru; Kawahata, Masatoshi; Karasawa, Satoru","Chelate-Free “Turn-ON”-Type Fluorescence Detection of Trivalent Metal Ions","Chemical Communications","2022","","","","","10.1039/D2CC04815A","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0838","0.0844","","","","","","1.046","","","","has coordinates","278525","2022-10-11","21:57:41",""
"7130846","7.0433","0.0011","18.398","0.003","12.1141","0.0019","90","","104.353","0.008","90","","1520.8","0.4","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cDP2","cycloDiazoP2","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C76 H52 N20 O8 -","4","1","","Pathak, Dibyajyoti; Srivastava, Aasheesh","Macrocyclic Enforcement of Twist in Secondary Amide: Reactivity and Influence on Photoisomerisation","Chemical Communications","2022","","","","","10.1039/D2CC04780B","","","0.71073","MoKα","","0.0452","0.0397","","","0.0998","0.1039","","","","","","1.058","","","","has coordinates","278549","2022-10-12","21:55:45",""
"7130847","10.3311","0.0006","18.0936","0.0009","8.8295","0.0004","90","","97.013","0.002","90","","1638.12","0.15","140","","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RedcDP2","ReducedcycloDiazoP2","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C76 H68 N20 O8 -","4","1","","Pathak, Dibyajyoti; Srivastava, Aasheesh","Macrocyclic Enforcement of Twist in Secondary Amide: Reactivity and Influence on Photoisomerisation","Chemical Communications","2022","","","","","10.1039/D2CC04780B","","","0.71073","MoKα","","0.146","0.0779","","","0.1309","0.1523","","","","","","1.056","","","","has coordinates","278549","2022-10-12","21:55:45",""
"7130848","8.6664","0.0006","9.5962","0.0007","12.8603","0.0009","79.05","0.002","88.97","0.002","84.185","0.002","1044.64","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O4 Zn -","- C25 H23 N O4 Zn -","- C50 H46 N2 O8 Zn2 -","2","1","","Khan, Samim; Naaz, Sanobar; Ekka, Akansha; Dutta, Basudeb; Roy, Sourav; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Photomechanical effect in Zn(II) and Cd(II) 1D coordination polymers: photosalient to non-salient behaviour.","Chemical communications (Cambridge, England)","2022","58","86","12102","12105","10.1039/d2cc04135a","","","0.71073","MoKα","","0.0242","0.0221","","","0.0571","0.0585","","","","","","1.069","","","","has coordinates","278963","2022-11-07","05:07:59",""
"7130849","9.4781","0.0016","9.8709","0.0016","12.141","0.002","97.577","0.004","102.802","0.004","102.063","0.004","1064.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cd N O4 -","- C25 H23 Cd N O4 -","- C50 H46 Cd2 N2 O8 -","2","1","","Khan, Samim; Naaz, Sanobar; Ekka, Akansha; Dutta, Basudeb; Roy, Sourav; Medishetty, Raghavender; Mir, Mohammad Hedayetullah","Photomechanical effect in Zn(II) and Cd(II) 1D coordination polymers: photosalient to non-salient behaviour.","Chemical communications (Cambridge, England)","2022","58","86","12102","12105","10.1039/d2cc04135a","","","0.71073","MoKα","","0.0334","0.0305","","","0.0779","0.0803","","","","","","1.056","","","","has coordinates","278963","2022-11-07","05:07:59",""
"7130850","8.413","0.0003","10.9151","0.0005","16.0946","0.0007","81.509","0.004","81.007","0.003","86.633","0.004","1442.82","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 O P -","- C38 H25 O P -","- C76 H50 O2 P2 -","2","1","","Tokura, Yu; Xu, Shibo; Kojima, Yuki; Miura, Masahiro; Hirano, Koji","Pd-catalysed, Ag-assisted C2–H alkenylation of benzophospholes","Chemical Communications","2022","","","","","10.1039/D2CC04942B","","x-ray","0.71073","MoKα","","0.0645","0.0461","","","0.1152","0.1241","","","","","","1.085","","","","has coordinates","278551","2022-10-12","21:57:26",""
"7130851","8.7292","0.0002","12.454","0.0002","21.6161","0.0003","90","","92.026","0.002","90","","2348.49","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O4 P2 -","- C26 H26 O4 P2 -","- C104 H104 O16 P8 -","4","1","","Tokura, Yu; Xu, Shibo; Kojima, Yuki; Miura, Masahiro; Hirano, Koji","Pd-catalysed, Ag-assisted C2–H alkenylation of benzophospholes","Chemical Communications","2022","","","","","10.1039/D2CC04942B","","x-ray","1.54184","CuKα","","0.0448","0.0403","","","0.1116","0.1157","","","","","","1.097","","","","has coordinates","278551","2022-10-12","21:57:31",""
"7130852","6.4659","0.0014","7.0218","0.0015","14.113","0.003","90","","94.163","0.004","90","","639.1","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C30 H30 N2 O2 S2 -","2","1","","Otog, Nansalmaa; Gantogos, Bilguun; Fujisawa, Ikuhide; Iwasa, Seiji","Highly Enantioselective Synthesis of Norcaradiene Derivatives from Naphthyl Diazoacetamides Using a Ru(II)-Pheox Complex","Chemical Communications","2022","","","","","10.1039/D2CC04355F","","x-ray","0.71075","MoKα","","0.043","0.0399","","","0.0943","0.0977","","","","","","1.081","","","","has coordinates","278566","2022-10-13","21:55:25",""
"7130853","9.6376","0.0002","11.1383","0.0003","17.1853","0.0003","82.913","0.002","82.676","0.002","68.389","0.002","1695.26","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 Br2 O -","- C19 H20 Br2 O -","- C76 H80 Br8 O4 -","4","2","","Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04841H","","","0.71073","MoKα","","0.0494","0.0364","","","0.0708","0.0749","","","","","","1.061","","","","has coordinates","278567","2022-10-13","21:57:04",""
"7130854","12.7409","0.0001","13.9002","0.0001","16.9635","0.0001","91.611","0.001","98.29","0.001","106.058","0.001","2849.55","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H92 N2 O -","- C67 H92 N2 O -","- C134 H184 N4 O2 -","2","1","","Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04841H","","","1.54184","CuKα","","0.0534","0.0454","","","0.1136","0.1182","","","","","","1.059","","","","has coordinates,has disorder","278567","2022-10-13","21:57:04",""
"7130855","12.7093","0.0003","17.6574","0.0005","18.1074","0.0004","113.431","0.003","99.719","0.002","97.872","0.002","3580.15","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H104 K2 N2 O -","- C78.5 H104 K2 N2 O -","- C157 H208 K4 N4 O2 -","2","1","","Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04841H","","","1.54184","CuKα","","0.092","0.087","","","0.2407","0.2468","","","","","","1.055","","","","has coordinates","278567","2022-10-13","21:57:04",""
"7130856","16.8905","0.0002","18.3068","0.0003","22.6963","0.0003","78.464","0.001","70.187","0.001","70.028","0.001","6177.23","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C139 H192 Ca2 K2 N6 O2 -","- C139 H192 Ca2 K2 N6 O2 -","- C278 H384 Ca4 K4 N12 O4 -","2","1","","Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04841H","","","1.54184","CuKα","","0.0903","0.0759","","","0.1926","0.2029","","","","","","1.034","","","","has coordinates,has disorder","278567","2022-10-13","21:57:04",""
"7130857","11.8403","0.0001","21.0921","0.0001","27.0433","0.0001","87.16","","85.119","0.001","75.559","0.001","6513.8","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H106 Ca N2 O3 -","- C75 H106 Ca N2 O3 -","- C300 H424 Ca4 N8 O12 -","4","2","","Mondal, Rahul; Yuvaraj, K.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04841H","","","1.54184","CuKα","","0.0538","0.0514","","","0.129","0.1307","","","","","","1.013","","","","has coordinates,has disorder","278567","2022-10-13","21:57:04",""
"7130858","24.5261","0.0004","24.5261","0.0004","17.843","0.0002","90","","90","","120","","9295.1","0.2","169.99","0.13","169.99","0.13","","","","","","","","3","P -3","-P 3","147","","","","- C37 H28 N4 -","- C39 H32 N4 -","- C234 H192 N24 -","6","1","","Zhou, He-Ye; Zhang, Da-Wei; Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","A novel thermally activated delayed fluorescence macrocycle","Chemical Communications","2022","","","","","10.1039/D2CC04618K","","x-ray","1.54184","CuKα","","0.1075","0.0971","","","0.3003","0.3156","","","","","","1.342","","","","has coordinates","278568","2022-10-13","21:58:27",""
"7130859","13.0996","0.0002","18.384","0.0003","23.2467","0.0003","97.768","0.001","90.216","0.001","109.991","0.001","5205.23","0.14","170","0.13","170","0.13","","","","","","","","3","P -1","-P 1","2","","","","- C111 H84 N12 -","- C111 H84 N12 -","- C222 H168 N24 -","2","1","","Zhou, He-Ye; Zhang, Da-Wei; Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","A novel thermally activated delayed fluorescence macrocycle","Chemical Communications","2022","","","","","10.1039/D2CC04618K","","x-ray","1.54184","CuKα","","0.0842","0.0726","","","0.1647","0.1709","","","","","","1.092","","","","has coordinates","278568","2022-10-13","21:58:28",""
"7130860","20.8758","0.0006","8.7858","0.0002","17.7065","0.0004","90","","114.926","0.001","90","","2945.06","0.13","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cl6 N6 O6 Sb -","- C18 H27 Cl6 N6 O6 Sb -","- C72 H108 Cl24 N24 O24 Sb4 -","4","1","","Lin, Fang; Tong, Hua; Lin, Haoran; Liu, Wei","Manipulating the inorganic motif by kinetic control of organic-inorganic antimony halide for larger Stokes shift and significantly enhanced quantum efficiency","Chemical Communications","2022","","","","","10.1039/D2CC04401C","","","0.71073","MoKα","","0.0784","0.0501","","","0.0841","0.0948","","","","","","1.081","","","","has coordinates","278569","2022-10-13","21:59:04",""
"7130861","10.11404","0.00009","16.90606","0.00014","18.29331","0.00016","90","","102.387","0.0009","90","","3055.13","0.05","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H40 B2 O4 Si -","- C32 H40 B2 O4 Si -","- C128 H160 B8 O16 Si4 -","4","1","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.0274","0.0273","","","0.0761","0.0762","","","","","","1.077","","","","has coordinates,has disorder","278960","2022-11-07","05:06:46",""
"7130862","15.82548","0.00014","11.13928","0.0001","24.2701","0.0002","90","","102.231","0.0009","90","","4181.33","0.06","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H68 B2 O5 Si4 -","- C32 H68 B2 O5 Si4 -","- C128 H272 B8 O20 Si16 -","4","0.5","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.044","0.0376","","","0.1051","0.1114","","","","","","1.045","","","","has coordinates","278960","2022-11-07","05:06:46",""
"7130863","9.0492","0.0002","10.2286","0.0003","13.285","0.0003","71.204","0.002","84.767","0.002","87.048","0.002","1158.92","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 B O2 Si -","- C26 H29 B O2 Si -","- C52 H58 B2 O4 Si2 -","2","1","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.0368","0.0333","","","0.0839","0.0867","","","","","","1.051","","","","has coordinates","278960","2022-11-07","05:06:46",""
"7130864","19.7542","0.0004","20.3725","0.0003","21.9182","0.0005","96.7187","0.0014","112.361","0.0019","114.97","0.0017","6977.9","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 B O2 Si -","- C26 H29 B1.00168 O2 Si -","- C312 H348 B12.0202 O24 Si12 -","12","6","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.0564","0.0436","","","0.1296","0.143","","","","","","1.07","","","","has coordinates,has disorder","278960","2022-11-07","05:06:46",""
"7130865","34.3594","0.0003","8.4664","0.0001","18.3153","0.0002","90","","105.437","0.001","90","","5135.72","0.1","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 B2 O4 Si -","- C23 H38 B2 O4 Si -","- C184 H304 B16 O32 Si8 -","8","2","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","x-ray","1.54184","CuKα","","0.0594","0.0579","","","0.1568","0.1592","","","","","","1.03","","","","has coordinates,has disorder","278960","2022-11-07","05:06:46",""
"7130866","15.5337","0.0006","10.1502","0.0003","20.2438","0.0006","90","","96.294","0.003","90","","3172.6","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(dpbtz)(Au(CN)2)2].chrysene.MeCN","","","- C32 H20.5 Au2 Fe N9.5 S -","- C32 H20.5 Au2 Fe N9.5 S -","- C128 H82 Au8 Fe4 N38 S4 -","4","1","","Kepert, Cameron J.; Windsor, Hunter; Lewis, William; Neville, Suzanne M.; Duyker, Samuel; D'Alessandro, Deanna Michelle","Two-step spin crossover by guest-disorder induced local symmetry breaking within a 3D Hofmann-like framework","Chemical Communications","2022","","","","","10.1039/D2CC03780G","","","0.71073","MoKα","","0.0736","0.0483","","","0.0955","0.1047","","","","","","1.121","","","","has coordinates,has disorder","278591","2022-10-14","21:58:23",""
"7130867","15.8841","0.0003","10.4933","0.0002","20.8704","0.0005","90","","99.856","0.002","90","","3427.27","0.13","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(dpbtz)(Au(CN)2)2].chrysene.MeCN","","","- C32 H20.5 Au2 Fe N9.5 S -","- C32 H20.5 Au2 Fe N9.5 S -","- C128 H82 Au8 Fe4 N38 S4 -","4","1","","Kepert, Cameron J.; Windsor, Hunter; Lewis, William; Neville, Suzanne M.; Duyker, Samuel; D'Alessandro, Deanna Michelle","Two-step spin crossover by guest-disorder induced local symmetry breaking within a 3D Hofmann-like framework","Chemical Communications","2022","","","","","10.1039/D2CC03780G","","","0.71073","MoKα","","0.0727","0.0432","","","0.0979","0.1094","","","","","","1.096","","","","has coordinates,has disorder","278591","2022-10-14","21:58:30",""
"7130868","15.619","0.003","10.248","0.002","20.432","0.004","90","","96.89","0.03","90","","3246.8","1.1","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(dpbtz)(Au(CN)2)2].MeCN.chrysene","","","- C32 H20.5 Au2 Fe N9.5 S -","- C32 H20.5 Au2 Fe N9.5 S -","- C128 H82 Au8 Fe4 N38 S4 -","4","1","","Kepert, Cameron J.; Windsor, Hunter; Lewis, William; Neville, Suzanne M.; Duyker, Samuel; D'Alessandro, Deanna Michelle","Two-step spin crossover by guest-disorder induced local symmetry breaking within a 3D Hofmann-like framework","Chemical Communications","2022","","","","","10.1039/D2CC03780G","","","0.71073","MoKα","","0.0688","0.0354","","","0.0714","0.0895","","","","","","1.233","","","","has coordinates,has disorder","278591","2022-10-14","21:58:30",""
"7130869","10.737","0.002","4.7501","0.0011","4.5368","0.0011","90","","90","","90","","231.39","0.09","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B2 Be2 O6 Pb -","- B2 Be2 O6 Pb -","- B4 Be4 O12 Pb2 -","2","0.5","","Chen, Yi-Gang; Jiang, Xingxing; Yang, Yuanyu; Dai, Zhe; Lin, Zheshuai; Zhang, Xian-Ming","PbBe2B2O6: An Excellent Ultraviolet Nonlinear-Optical Crystal with Unprecedented π-π Interacting BeBO5 Group","Chemical Communications","2022","","","","","10.1039/D2CC04631H","","","0.71073","MoKα","","0.0173","0.0173","","","0.0425","0.0425","","","","","","1.117","","","","has coordinates","278592","2022-10-14","21:59:03",""
"7130870","27.8523","0.0004","13.8253","0.0002","25.2206","0.0004","90","","90","","90","","9711.6","0.3","153.15","","153.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- Al13 H48 O104 P V3 W9 -","- Al13 O80 P V3 W9 -","- Al52 O320 P4 V12 W36 -","4","0.5","","Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka","Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity","Chemical Communications","2022","","","","","10.1039/D2CC03545F","","x-ray","0.71073","MoKα","","0.093","0.086","","","0.1963","0.1991","","","","","","1.165","","","","has coordinates,has disorder","278612","2022-10-17","21:56:45",""
"7130871","29.9847","0.0005","27.7701","0.0005","23.4604","0.0005","90","","90","","90","","19535","0.6","153.15","","153.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- Al28.75 O174 P2 V9.11 W18.14 -","- Al28.736 O174 P2 V9.1224 W18.1416 -","- Al114.944 O696 P8 V36.4896 W72.5664 -","4","0.25","","Zhou, Wei; Ogiwara, Naoki; Weng, Zhewei; Zhao, Congcong; Yan, Likai; Kikukawa, Yuji; Uchida, Sayaka","Vanadium-substituted polycationic Al-oxo cluster in a porous ionic crystal exhibiting Lewis acidity","Chemical Communications","2022","","","","","10.1039/D2CC03545F","","","0.71073","MoKα","","0.0664","0.0378","","","0.096","0.106","","","","","","1.045","","","","has coordinates,has disorder","278612","2022-10-17","21:56:56",""
"7130872","21.14","0.0007","21.14","0.0007","67.0247","0.0016","90","","90","","120","","25940.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","C1","","- C120.39 H94.58 Cl8 Fe4 N28.2 O32.99 -","- C120.372 H94.5492 Cl7.998 Fe4 N28.186 O32.992 -","- C722.232 H567.295 Cl47.988 Fe24 N169.116 O197.952 -","6","0.333333","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","0.6889","Synchrotron","","0.1947","0.1384","","","0.3692","0.4153","","","","","","1.244","","","","has coordinates,has disorder","278628","2022-10-18","21:59:08",""
"7130873","14.7047","0.0002","14.7047","0.0002","99.8911","0.001","90","","90","","120","","18705.5","0.4","99.96","0.1","99.96","0.1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","040(1.230)","","- C60 H54 Cl2 Fe N16 O8 -","- C60 H54 Cl1.9999 Fe N16 O8.002 -","- C720 H648 Cl23.9988 Fe12 N192 O96.024 -","12","0.333333","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","1.54184","CuKα","","0.1108","0.1052","","","0.3256","0.3372","","","","","","1.611","","","","has coordinates,has disorder","278628","2022-10-18","21:59:29",""
"7130874","31.99","0.003","18.5196","0.0012","28.075","0.002","90","","114.492","0.011","90","","15136","2","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C132 H90 F24 Fe4 N26 O24 S8 -","- C132 H90 F24 Fe4 N26 O24 S8 -","- C528 H360 F96 Fe16 N104 O96 S32 -","4","0.5","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","0.71073","MoKα","","0.2015","0.1348","","","0.3475","0.3981","","","","","","1.28","","","","has coordinates,has disorder","278628","2022-10-18","21:59:29",""
"7130875","12.5031","0.0002","15.5665","0.0003","19.8576","0.0004","80.413","0.002","72.158","0.002","77.821","0.002","3574.56","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C65.86 H56.79 F12 Fe N18.93 O8 S4 -","- C65.8588 H56.7882 F12 Fe N18.9294 O8 S4 -","- C131.718 H113.576 F24 Fe2 N37.8588 O16 S8 -","2","1","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","0.6889","synchrotron","","0.0492","0.0422","","","0.1232","0.1277","","","","","","1.082","","","","has coordinates,has disorder","278628","2022-10-18","21:59:29",""
"7130876","4.6828","0.0003","13.6599","0.0007","19.3081","0.0012","90","","90","","90","","1235.07","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Ye, Dong-Nai; Zhang, Yujie; Xing, Yu-Qin; Tan, Zhi-Rong; Chen, Zhengwang; Qiu, Jia-Bin; Liu, Shi-Yong","Tunable cyano substituents in D-A conjugated polymers accessed via direct arylation for photocatalytic hydrogen production","Chemical Communications","2022","","","","","10.1039/D2CC04625C","","","0.71073","MoKα","","0.1685","0.0982","","","0.1462","0.1681","","","","","","1.09","","","","has coordinates","278629","2022-10-18","22:00:25",""
"7130877","20.7513","0.0004","11.9059","0.0002","25.0124","0.0004","90","","93.4704","0.0016","90","","6168.3","0.19","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H90 Cl2 Eu2 N6 Si10 -","- C32 H90 Cl2 Eu2 N6 Si10 -","- C128 H360 Cl8 Eu8 N24 Si40 -","4","0.5","","Li, Yangjuan; Gong, Yu","Nitrile formation via dichlorocarbene insertion into the Si-N bond of Ln(III) bis(trimethylsilyl)amide complexes","Chemical Communications","2022","","","","","10.1039/D2CC04538A","","x-ray","0.71073","MoKα","","0.0229","0.0187","","","0.0417","0.0429","","","","","","1.035","","","","has coordinates","278630","2022-10-18","22:01:31",""
"7130878","20.0586","0.0003","20.0586","0.0003","23.4376","0.0005","90","","90","","90","","9430.1","0.3","180","2","180","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C26 H72 N5 Si8 Yb -","- C26 H72 N5 Si8 Yb -","- C208 H576 N40 Si64 Yb8 -","8","0.5","","Li, Yangjuan; Gong, Yu","Nitrile formation via dichlorocarbene insertion into the Si-N bond of Ln(III) bis(trimethylsilyl)amide complexes","Chemical Communications","2022","","","","","10.1039/D2CC04538A","","x-ray","0.71073","MoKα","","0.0308","0.0225","","","0.0556","0.0611","","","","","","1.051","","","","has coordinates","278630","2022-10-18","22:01:33",""
"7130879","20.8019","0.0003","11.9155","0.0002","25.0378","0.0004","90","","93.368","0.002","90","","6195.28","0.17","179.99","0.1","179.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H90 Cl2 N6 Si10 Sm2 -","- C32 H90 Cl2 N6 Si10 Sm2 -","- C128 H360 Cl8 N24 Si40 Sm8 -","4","0.5","","Li, Yangjuan; Gong, Yu","Nitrile formation via dichlorocarbene insertion into the Si-N bond of Ln(III) bis(trimethylsilyl)amide complexes","Chemical Communications","2022","","","","","10.1039/D2CC04538A","","x-ray","0.71073","MoKα","","0.0238","0.0201","","","0.0435","0.0445","","","","","","1.054","","","","has coordinates","278630","2022-10-18","22:01:34",""
"7130880","6.2412","0.0007","8.1065","0.0009","16.0274","0.0018","88.586","0.004","79.678","0.003","84.807","0.004","794.47","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Br2 N2 O3 S -","- C15 H10 Br2 N2 O3 S -","- C30 H20 Br4 N4 O6 S2 -","2","1","","Shi, Shi-Hui; Wei, Jian; Liang, Chun-Miao; Bai, Huan; Zhu, Hai-Tao; Zhang, Yantu; Fu, Feng","Electro-oxidation induced O–S cross-coupling of quinoxalinones with sodium sulfinates for synthesizing 2-sulfonyloxylated quinoxalines","Chemical Communications","2022","","","","","10.1039/D2CC04524A","","","0.71073","MoKα","","0.0412","0.0302","","","0.0733","0.0779","","","","","","1.027","","","","has coordinates","278666","2022-10-20","21:55:49",""
"7130881","5.0329","0.0002","11.2691","0.0004","13.6095","0.0005","79.38","0.002","84.737","0.002","77.298","0.002","739.04","0.05","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 S4 -","- C34 H36 S4 -","- C34 H36 S4 -","1","0.5","","Banks, Peter A.; Dyer, Adam M.; Whalley, Adam C.; Ruggiero, Michael T.","Side-chain torsional dynamics strongly influence charge transport in organic semiconductors","Chemical Communications","2022","","","","","10.1039/D2CC04979A","","","0.71073","MoKα","","0.0622","0.0461","","","0.1261","0.1362","","","","","","1.152","","","","has coordinates","278667","2022-10-20","21:56:10",""
"7130882","3.6501","0.0001","3.6501","0.0001","11.909","0.001","90","","90","","90","","158.666","0.015","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Dy O4 -","- Al Ca Dy O4 -","- Al2 Ca2 Dy2 O8 -","2","0.0625","","Kazin, Pavel E.; Zykin, Mikhail; Dyakonov, Andrey K.; Vasiliev, Alexander V.; Karpov, Maxim A.; Gorbachev, Evgeny A.; Sleptsova, Anastasia E.; Jansen, Martin","Dy3+ single ion magnet in the extended inorganic solid Ca(Y,Dy)AlO4","Chemical Communications","2022","","","","","10.1039/D2CC03668A","powder diffraction","x-ray","1.54187","CuKα","","0.0209","0.0201","","0.0267","0.0266","","","","1.28","","","","","","","has coordinates","278668","2022-10-20","21:56:38",""
"7130883","18.1043","0.0013","5.8211","0.0004","16.8027","0.0012","90","","98.663","0.007","90","","1750.6","0.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F3 O -","- C23 H19 F3 O -","- C92 H76 F12 O4 -","4","1","","Zhu, Baiyao; Li, Zhewei; Chen, Fulin; Xiong, Wenfang; Tan, Xiaobin; Lei, Ming; Jiang, Huanfeng; Wu, Wanqing","Palladium-Catalyzed Oxidative Heck Reaction of Non-activated Alkenes Directed by Fluorinated Alcohol","Chemical Communications","2022","","","","","10.1039/D2CC04921J","","x-ray","0.71073","MoKα","","0.0718","0.0555","","","0.132","0.1449","","","","","","1.007","","","","has coordinates","278669","2022-10-20","21:57:05",""
"7130884","9.4468","0.0006","14.4723","0.0009","15.7916","0.001","83.285","0.001","80.507","0.001","89.649","0.001","2114.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Br Cl Cu N4 O7 -","- C18 H18 Br Cl Cu0.9995 N4 O7 -","- C72 H72 Br4 Cl4 Cu3.998 N16 O28 -","4","2","","Van Trieste, Gerard Pierre; Reibenspies, Joseph; Chen, Yu-Sheng; Sengupta, Debabrata; Thompson, Richard R.; Powers, David Charles","Oxygen-Atom Transfer Photochemistry of a Molecular Copper Bromate Complex","Chemical Communications","2022","","","","","10.1039/D2CC04403J","","","0.41328","Synchrotron","","0.0576","0.0467","","","0.1269","0.1302","","","","","","1.058","","","","has coordinates","278722","2022-10-22","21:55:56",""
"7130885","9.4244","0.0011","14.5899","0.0018","15.7525","0.0018","84.606","0.002","80.963","0.002","89.819","0.002","2129.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Br Cl Cu N4 O7 -","- C18 H18 Br Cl Cu N4 O7 -","- C72 H72 Br4 Cl4 Cu4 N16 O28 -","4","2","","Van Trieste, Gerard Pierre; Reibenspies, Joseph; Chen, Yu-Sheng; Sengupta, Debabrata; Thompson, Richard R.; Powers, David Charles","Oxygen-Atom Transfer Photochemistry of a Molecular Copper Bromate Complex","Chemical Communications","2022","","","","","10.1039/D2CC04403J","","","0.41328","Synchrotron","","0.1052","0.0896","","","0.26","0.2757","","","","","","1.067","","","","has coordinates","278722","2022-10-22","21:55:57",""
"7130886","7.2901","0.0013","7.7946","0.0013","26.574","0.004","90","","95.936","0.015","90","","1501.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N O -","- C19 H12 F3 N O -","- C76 H48 F12 N4 O4 -","4","1","","Pan, Mingshi; Tong, Yixin; Qiu, Xiaodong; Zeng, Xiaobao; Xiong, Biao","One-pot synthesis of 3-trifluoromethylbenzo[b][1,4]oxazines from CF3-imidoyl sulfoxonium ylides with 2-bromophenols","Chemical Communications","2022","","","","","10.1039/D2CC04863A","","x-ray","0.71073","MoKα","","0.1837","0.0776","","","0.1367","0.178","","","","","","1.043","","","","has coordinates","278747","2022-10-24","22:07:42",""
"7130887","4.7305","0.0002","11.4393","0.0004","12.2488","0.0004","90","","94.234","0.003","90","","661.02","0.04","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C28 H22 Cl2 F2 N2 O4 -","2","1","","Wang, Xinzhe; Chen, Zhihuang; Liu, Qingqing; Lin, Wenqing; Xiong, Xiaodong","Amine organocatalysts for highly ortho-Selective chlorination of anilines with sulfuryl chloride","Chemical Communications","2022","","","","","10.1039/D2CC05320A","","","1.54184","CuKα","","0.0466","0.0457","","","0.1274","0.1291","","","","","","1.105","","","","has coordinates","278748","2022-10-24","22:08:08",""
"7130888","7.912","0.002","13.614","0.003","14.075","0.004","90","","101.443","0.008","90","","1485.9","0.7","273","2","273","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F N2 O2 -","- C18 H15 F N2 O2 -","- C72 H60 F4 N8 O8 -","4","1","","Chandrasekharan, Sanoop P.; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product divergence in the reaction of α–fluoro–β-ketoamides with arynes","Chemical Communications","2022","","","","","10.1039/D2CC04657A","","x-ray","0.71073","MoKα","","0.0566","0.0441","","","0.0944","0.1033","","","","","","1.059","","","","has coordinates","278749","2022-10-24","22:08:33",""
"7130889","11.5818","0.0002","7.0011","0.0001","16.4763","0.0002","90","","91.742","0.001","90","","1335.37","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B0 Cu F0 N2 O9 -","- C10 H16 Cu N2 O9 -","- C40 H64 Cu4 N8 O36 -","4","1","","Yu, Kaishan; Sun, Yue; Zhu, Dingwei; Xu, Ziyi; Wang, Jiayi; Shen, Junyu; Zhang, Qijian; Zhao, Wei","A low-cost commercial Cu(II)-EDTA complex for electrocatalytic water oxidation in neutral aqueous solution","Chemical Communications","2022","","","","","10.1039/D2CC04846A","","","0.71073","MoKα","","0.0268","0.0252","","","0.0664","0.0674","","","","","","0.993","","","","has coordinates","278750","2022-10-24","22:09:05",""
"7130890","9.108","0.002","19.98","0.003","19.558","0.003","90","","99.34","0.02","90","","3511.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.39 H37.77 Au2 Cl2.77 N2 P Si -","- C33.385 H37.77 Au2 Cl2.77 N2 P Si -","- C133.54 H151.08 Au8 Cl11.08 N8 P4 Si4 -","4","1","","Nazish, Mohd; Bai, Han; Legendre, Christina M.; Herbst-Irmer, Regine; Zhao, Lili; Stalke, Dietmar; Roesky, Herbert W.","A neutral vicinal silylene/phosphane supported unprecedented six-membered C2PSiAu2 ring and a silver(I) complex","Chemical Communications","2022","","","","","10.1039/D2CC04163D","","","0.71073","MoKα","","0.0723","0.0571","","","0.1409","0.1533","","","","","","1.064","","","","has coordinates,has disorder","278751","2022-10-24","22:10:09",""
"7130891","13.773","0.002","13.572","0.002","41.898","0.006","90","","91.83","0.03","90","","7828","2","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C80 H90 Ag Al0.92 Cl3.69 F4.31 N4 P2 Sb0.08 Si2 -","- C80 H90 Ag Al0.923 Cl3.692 F4.3084 N4 P2 Sb0.0771 Si2 -","- C320 H360 Ag4 Al3.692 Cl14.768 F17.2336 N16 P8 Sb0.3084 Si8 -","4","1","","Nazish, Mohd; Bai, Han; Legendre, Christina M.; Herbst-Irmer, Regine; Zhao, Lili; Stalke, Dietmar; Roesky, Herbert W.","A neutral vicinal silylene/phosphane supported unprecedented six-membered C2PSiAu2 ring and a silver(I) complex","Chemical Communications","2022","","","","","10.1039/D2CC04163D","","","0.71073","MoKα","","0.0736","0.0478","","","0.1115","0.1259","","","","","","1.016","","","","has coordinates,has disorder","278751","2022-10-24","22:10:12",""
"7130892","8.69641","0.00018","24.7008","0.0004","12.9887","0.0003","90","","94.9436","0.0018","90","","2779.7","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 B Mn N4 O3 -","- C29 H32 B Mn N4 O3 -","- C116 H128 B4 Mn4 N16 O12 -","4","1","","Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.","A Redox-active Manganate(0) Dicarbene Metalloradical","Chemical Communications","2022","","","","","10.1039/D2CC04677F","","x-ray","1.54184","CuKα","","0.0581","0.0428","","","0.1002","0.108","","","","","","1.04","","","","has coordinates","278779","2022-10-25","21:57:05",""
"7130893","15.1465","0.0008","16.0225","0.0015","20.4295","0.0006","90","","101.789","0.004","90","","4853.3","0.5","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C47 H68 B K Mn N6 O9 -","- C47 H68 B K Mn N6 O9 -","- C188 H272 B4 K4 Mn4 N24 O36 -","4","1","","Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.","A Redox-active Manganate(0) Dicarbene Metalloradical","Chemical Communications","2022","","","","","10.1039/D2CC04677F","","","1.54184","CuKα","","0.0528","0.0457","","","0.1069","0.1121","","","","","","1.047","","","","has coordinates","278779","2022-10-25","21:57:06",""
"7130894","13.5422","0.0002","25.4388","0.0004","28.3588","0.0005","90","","90","","90","","9769.5","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H68 B Mn N6 Na O9 -","- C47 H68 B Mn N6 Na O9 -","- C376 H544 B8 Mn8 N48 Na8 O72 -","8","1","","Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.","A Redox-active Manganate(0) Dicarbene Metalloradical","Chemical Communications","2022","","","","","10.1039/D2CC04677F","","","1.54184","CuKα","","0.0894","0.0705","","","0.158","0.1683","","","","","","1.073","","","","has coordinates,has disorder","278779","2022-10-25","21:57:06",""
"7130895","13.9034","0.0002","14.6029","0.0001","22.1759","0.0003","71.402","0.001","88.985","0.001","89.719","0.001","4266.59","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H57 B Li Mn N3.5 O9.5 -","- C41 H57 B Li Mn N3.5 O9.5 -","- C164 H228 B4 Li4 Mn4 N14 O38 -","4","2","","Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.","A Redox-active Manganate(0) Dicarbene Metalloradical","Chemical Communications","2022","","","","","10.1039/D2CC04677F","","","1.54184","CuKα","","0.0862","0.0798","","","0.2386","0.2446","","","","","","1.064","","","","has coordinates,has disorder","278779","2022-10-25","21:57:07",""
"7130896","4.7654","0.0003","6.2994","0.0004","10.5867","0.0006","89.429","0.005","89.677","0.005","73.64","0.006","304.92","0.03","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C6 H9 F3 -","- C6 H9 F3 -","- C12 H18 F6 -","2","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","1.54184","CuKα","","0.0493","0.044","","","0.1178","0.1231","","","","","","1.092","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130897","4.8224","0.001","12.4436","0.0019","12.24","0.002","90","","90.55","0.02","90","","734.5","0.2","173","","173","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C7 H11 F3 -","- C7 H11 F3 -","- C28 H44 F12 -","4","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","0.71073","MoKα","","0.1258","0.1074","","","0.2769","0.2933","","","","","","1.111","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130898","9.161","0.002","4.8349","0.0008","9.983","0.003","90","","105.3","0.03","90","","426.5","0.18","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 F3 N O -","- C8 H12 F3 N O -","- C16 H24 F6 N2 O2 -","2","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","1.54184","CuKα","","0.2287","0.1848","","","0.4092","0.4428","","","","","","1.442","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130899","21.5717","0.0006","6.405","0.0001","18.7016","0.0004","90","","106.865","0.003","90","","2472.81","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 F2 N O2 -","- C11 H19 F2 N O2 -","- C88 H152 F16 N8 O16 -","8","2","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","0.71073","MoKα","","0.1223","0.0911","","","0.1943","0.2053","","","","","","1.192","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130900","6.2763","0.0004","9.5541","0.0004","21.1552","0.001","95.696","0.004","96.546","0.005","98.362","0.005","1238.2","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 F3 N O2 -","- C11 H18 F3 N O2 -","- C44 H72 F12 N4 O8 -","4","2","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","1.54184","CuKα","","0.0958","0.0533","","","0.1268","0.1362","","","","","","0.852","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130901","12.7188","0.0009","7.5388","0.0005","8.2612","0.0006","90","","103.35","0.008","90","","770.72","0.1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F3 O -","- C7 H11 F3 O -","- C28 H44 F12 O4 -","4","1","","O'Hagan, David; Yu, Cihang; Cormanich, Rodrigo A.; Slawin, Alexandra; Cordes, David Bradford; Piscelli, Bruno A.; Al-Maharik, Nawaf","Unexpected triaxial preferences in some all-syn 1,3,5-trifluorocyclohexanes","Chemical Communications","2022","","","","","10.1039/D2CC05058G","","x-ray","0.71073","MoKα","","0.0789","0.0518","","","0.1307","0.1421","","","","","","1.058","","","","has coordinates","278781","2022-10-25","21:58:53",""
"7130902","7.927","0.002","18.115","0.005","16.886","0.005","90","","95.357","0.016","90","","2414.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0778","0.0392","","","0.1059","0.1434","","","","","","0.732","","","","has coordinates","278817","2022-10-26","22:14:28",""
"7130903","8.9627","0.0017","9.6003","0.0015","15.312","0.003","101.184","0.013","95.225","0.012","101.995","0.012","1252.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O3 S2 -","- C27 H26 N4 O3 S2 -","- C54 H52 N8 O6 S4 -","2","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.1499","0.0703","","","0.1596","0.2096","","","","","","0.928","","","","has coordinates","278817","2022-10-26","22:14:29",""
"7130904","7.767","0.003","19.185","0.006","15.494","0.005","90","","97.481","0.006","90","","2289.1","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 S2 -","- C22 H30 N4 O2 S2 -","- C88 H120 N16 O8 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.1396","0.063","","","0.1434","0.1964","","","","","","0.887","","","","has coordinates","278817","2022-10-26","22:14:29",""
"7130905","7.8446","0.0002","15.3529","0.0004","18.7689","0.0005","90","","90","","90","","2260.48","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0553","0.0441","","","0.1182","0.1277","","","","","","0.898","","","","has coordinates,has disorder","278817","2022-10-26","22:14:29",""
"7130906","11.532","0.002","10.4494","0.0019","20.496","0.004","90","","97.173","0.012","90","","2450.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O4 S2 -","- C28 H24 N2 O4 S2 -","- C112 H96 N8 O16 S8 -","4","0.5","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0782","0.0573","","","0.1648","0.1798","","","","","","1.164","","","","has coordinates","287937","2023-12-01","15:28:46",""
"7130907","11.2697","0.0011","13.9696","0.0013","15.8362","0.0014","113.646","0.006","92.993","0.006","100.554","0.006","2223.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N2 O2 S2 -","- C22 H28 N2 O2 S2 -","- C88 H112 N8 O8 S8 -","4","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0914","0.0476","","","0.1166","0.1428","","","","","","0.921","","","","has coordinates","278817","2022-10-26","22:14:29",""
"7130908","20.9157","0.0011","4.9145","0.0003","23.0352","0.0013","90","","90","","90","","2367.8","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H22 N4 O2 S2 -","- C26 H22 N4 O2 S2 -","- C104 H88 N16 O8 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0812","0.0605","","","0.1421","0.1554","","","","","","1.005","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130909","9.0934","0.0007","11.9605","0.001","17.7211","0.0015","90","","95.805","0.005","90","","1917.5","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H20 N2 O2 S2 -","- C20 H20 N2 O2 S2 -","- C80 H80 N8 O8 S8 -","4","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0789","0.0589","","","0.141","0.1569","","","","","","0.925","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130910","5.8819","0.0004","14.3729","0.0009","12.3134","0.0009","90","","98.232","0.005","90","","1030.25","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N O S -","- C13 H9 N O S -","- C52 H36 N4 O4 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.059","0.0422","","","0.1282","0.1456","","","","","","0.989","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130911","10.5437","0.0004","7.8373","0.0003","10.7574","0.0004","90","","103.088","0.0018","90","","865.84","0.06","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C9 H9 N O2 S -","- C9 H9 N O2 S -","- C36 H36 N4 O8 S4 -","4","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.028","0.0265","","","0.0771","0.0815","","","","","","0.657","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130912","4.1297","0.0003","14.1058","0.0011","14.761","0.0011","90","","93.338","0.005","90","","858.41","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O S -","- C10 H7 N O S -","- C40 H28 N4 O4 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0448","0.0355","","","0.1157","0.126","","","","","","0.933","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130913","8.4192","0.0005","8.7045","0.0005","8.7097","0.0005","83.598","0.002","65.26","0.002","73.566","0.002","556","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O S -","- C13 H10 N2 O S -","- C26 H20 N4 O2 S2 -","2","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0363","0.0308","","","0.0806","0.0886","","","","","","0.92","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130914","10.7004","0.0002","18.5647","0.0004","11.2176","0.0002","90","","118.272","0.0012","90","","1962.54","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl2 N2 O2 S2 -","- C18 H18 Cl2 N2 O2 S2 -","- C72 H72 Cl8 N8 O8 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0546","0.0426","","","0.1379","0.1512","","","","","","1.115","","","","has coordinates,has disorder","278817","2022-10-26","22:14:30",""
"7130915","4.2898","0.0004","10.1017","0.0009","21.2306","0.0019","90","","92.654","0.007","90","","919.03","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Cl N O S -","- C9 H8 Cl N O S -","- C36 H32 Cl4 N4 O4 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0741","0.046","","","0.1228","0.1529","","","","","","0.94","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130916","11.755","0.016","7.717","0.01","24.95","0.03","90","","93.228","0.017","90","","2260","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O3 S2 -","- C23 H23 N3 O3 S2 -","- C92 H92 N12 O12 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.1613","0.0982","","","0.2295","0.2685","","","","","","1.177","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130917","24.2458","0.0018","5.0506","0.0004","18.4959","0.0014","90","","110.246","0.005","90","","2125","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O2 S2 -","- C26 H20 N2 O2 S2 -","- C104 H80 N8 O8 S8 -","4","0.5","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.088","0.0466","","","0.1162","0.1437","","","","","","0.801","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130918","12.1106","0.0007","12.3582","0.0006","13.7051","0.0008","111.532","0.003","99.093","0.003","108.092","0.003","1725.74","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Fe N6 O3 S2 a -","- C36 H43 Fe N6 O3 S2 -","- C72 H86 Fe2 N12 O6 S4 -","2","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0438","0.0364","","","0.1177","0.1264","","","","","","1.002","","","","has coordinates,has disorder","278817","2022-10-26","22:14:30",""
"7130919","8.297","0.0004","8.297","0.0004","59.074","0.003","90","","90","","120","","3521.8","0.3","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C168 H132 N12 O24 S12 -","12","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0507","0.0464","","","0.1516","0.1583","","","","","","0.601","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130920","9.6442","0.0004","6.3275","0.0002","19.5922","0.0007","90","","96.247","0.002","90","","1188.49","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0654","0.0432","","","0.1225","0.1469","","","","","","0.722","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130921","14.9647","0.0009","12.5644","0.0008","10.6636","0.0006","90","","93.3","0.003","90","","2001.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","2","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0533","0.0424","","","0.1424","0.1629","","","","","","1.24","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130922","8.2595","0.0004","18.2546","0.0008","7.3234","0.0004","90","","102.049","0.004","90","","1079.85","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H9 N O2 S -","- C13 H9 N O2 S -","- C52 H36 N4 O8 S4 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0775","0.0453","","","0.1145","0.1397","","","","","","0.81","","","","has coordinates","278817","2022-10-26","22:14:30",""
"7130923","13.6279","0.0011","14.2193","0.0012","14.7408","0.0011","69.902","0.007","75.36","0.007","67.226","0.008","2449.6","0.4","160","0.2","160","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H54 N6 O8 -","- C56 H54 N6 O8 -","- C112 H108 N12 O16 -","2","1","","Tomar, Radha; Suwasia, Sonam; Roychoudhury, Angshuman; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Azobenzene-based unnatural amino acid scaffolds via Pd(II)-catalyzed C(sp3)-H arylation strategy","Chemical Communications","2022","","","","","10.1039/D2CC04870A","","x-ray","0.71073","MoKα","","0.1444","0.0804","","","0.2125","0.2531","","","","","","1.066","","","","has coordinates,has disorder","278818","2022-10-26","22:17:06",""
"7130924","7.877","0.0003","40.4437","0.0013","8.8989","0.0003","90","","102.27","0.004","90","","2770.21","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N4 O4 -","- C31 H28 N4 O4 -","- C124 H112 N16 O16 -","4","1","","Tomar, Radha; Suwasia, Sonam; Roychoudhury, Angshuman; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Azobenzene-based unnatural amino acid scaffolds via Pd(II)-catalyzed C(sp3)-H arylation strategy","Chemical Communications","2022","","","","","10.1039/D2CC04870A","","x-ray","0.71073","MoKα","","0.1334","0.0688","","","0.177","0.2144","","","","","","1.058","","","","has coordinates,has disorder","278818","2022-10-26","22:17:06",""
"7130925","20.4643","0.0006","8.6783","0.0002","15.5406","0.0005","90","","91.069","0.003","90","","2759.46","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O4 S -","- C32 H27 N3 O4 S -","- C128 H108 N12 O16 S4 -","4","1","","Tomar, Radha; Suwasia, Sonam; Roychoudhury, Angshuman; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda","Azobenzene-based unnatural amino acid scaffolds via Pd(II)-catalyzed C(sp3)-H arylation strategy","Chemical Communications","2022","","","","","10.1039/D2CC04870A","","","0.71073","MoKα","","0.0908","0.0505","","","0.1198","0.1368","","","","","","1.079","","","","has coordinates","278818","2022-10-26","22:17:06",""
"7130926","31.2235","0.0003","31.2235","0.0003","15.7464","0.0001","90","","90","","120","","13294.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C102 H92 N6 O15 -","- C96 H81.75 N3 O15 -","- C576 H490.5 N18 O90 -","6","0.333333","","Liu, Ao; Meng, Xin; Shen, Chen-Chen; Zhang, Zhi-Yuan; Li, Chunju","Facile synthesis of heterogeneous macrocycles for intramolecular energy transfer","Chemical Communications","2022","","","","","10.1039/D2CC04673C","","","1.54184","CuKα","","0.0397","0.0359","","","0.095","0.0971","","","","","","1.049","","","","has coordinates,has disorder","278819","2022-10-26","22:17:48",""
"7130927","8.9059","0.0002","13.4075","0.0004","37.5682","0.001","90","","90","","90","","4485.9","0.2","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 F2 N4 O2 -","- C28 H16 F2 N4 O2 -","- C224 H128 F16 N32 O16 -","8","2","","Pu, Liang-Yuan; Zhang, Yu-Jiao; Liu, Wei; Teng, Fan","Chiral phosphoric acid-catalyzed dual ring formation for enantioselective construction of N–N axially chiral 3,3’-bisquinazolinones","Chemical Communications","2022","","","","","10.1039/D2CC05172A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0764","0.0769","","","","","","1.082","","","","has coordinates,has disorder","278835","2022-10-27","21:55:06",""
"7130928","21.582","0.012","28.06","0.02","11.83","0.008","90","","120.061","0.012","90","","6201","7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 O3 -","- C48 H24 O3 -","- C384 H192 O24 -","8","1","","Liu, Jun; Jiang, Lihui; Chang, Hao; Liu, Haoliang; Cao, Xiaoyu; Zou, Yingping; Hu, Yunbin","A C3-Symmetric Triple Oxa[6]helicene with Circularly Polarized Luminescence Featuring Parallel Transition Dipole Moments","Chemical Communications","2022","","","","","10.1039/D2CC04475G","","","0.71073","MoKα","","0.0605","0.0435","","","0.1017","0.1123","","","","","","1.014","","","","has coordinates","278836","2022-10-27","21:55:40",""
"7130929","13.1123","0.0004","5.8889","0.0002","19.6384","0.0005","90","","104.159","0.0011","90","","1470.35","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0445","0.0359","","","0.0826","0.086","","","","","","1.04","","","","has coordinates","278862","2022-10-29","08:06:16",""
"7130930","11.6102","0.0002","11.1265","0.0002","12.1841","0.0002","90","","114.747","0.001","90","","1429.41","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F3 O2 -","- C17 H17 F3 O2 -","- C68 H68 F12 O8 -","4","1","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0443","0.0434","","","0.1058","0.1063","","","","","","1.059","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7130931","14.7574","0.0005","6.6603","0.0002","14.4105","0.0005","90","","102.29","0.001","90","","1383.93","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0373","0.0357","","","0.0887","0.0896","","","","","","1.043","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7130932","10.5051","0.0004","20.1564","0.0008","13.1906","0.0005","90","","90","0.001","90","","2793.04","0.19","171","2","171","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","4","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0435","0.0356","","","0.0904","0.0923","","","","","","1.087","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7130933","7.7154","0.0002","15.679","0.0005","20.7193","0.0007","90","","90","","90","","2506.41","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","1","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0548","0.0527","","","0.1413","0.1432","","","","","","1.054","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7130934","23.5185","0.0007","23.5185","0.0007","23.5185","0.0007","90","","90","","90","","13008.5","0.7","203","2","203","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H57 Dy6 F8 N18 O18 -","- C40.5 H51 Dy6 F8 N7.5 O12 -","- C162 H204 Dy24 F32 N30 O48 -","4","0.0208333","","Zwanziger, Clara; do Pim, Walace D.; Kitos, Alexandros A.; Ovens, Jeffrey S.; Pallister, Peter J.; Murugesu, Muralee","A cationic fcu-lanthanide MOF enhances the uptake of iodine vapour at room temperature","Chemical Communications","2022","","","","","10.1039/D2CC03299F","","","0.71073","MoKα","","0.0178","0.0145","","","0.0422","0.045","","","","","","1.015","","","","has coordinates,has disorder","278863","2022-10-29","08:08:11",""
"7130935","23.4208","0.0007","23.4208","0.0007","23.4208","0.0007","90","","90","","90","","12847.1","0.7","208","2","208","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H57 F8 N18 O18 Y6 -","- C40.5 H51 F8 N7.5 O12 Y6 -","- C162 H204 F32 N30 O48 Y24 -","4","0.0208333","","Zwanziger, Clara; do Pim, Walace D.; Kitos, Alexandros A.; Ovens, Jeffrey S.; Pallister, Peter J.; Murugesu, Muralee","A cationic fcu-lanthanide MOF enhances the uptake of iodine vapour at room temperature","Chemical Communications","2022","","","","","10.1039/D2CC03299F","","","0.71073","MoKα","","0.0476","0.0311","","","0.0837","0.09","","","","","","1.077","","","","has coordinates,has disorder","278863","2022-10-29","08:08:12",""
"7130936","12.897","0.003","31.766","0.006","11.213","0.002","90","","90","","90","","4593.8","1.6","80.15","","80.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","SMTP-7, TMS007, BIIB131","(S)-2,5-bis((2R,3S)-2-((E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl)pentanoic acid","","- C51 H68 N2 O10 -","- C51 H68 N2 O10 -","- C204 H272 N8 O40 -","4","1","","Wang, Bo; Lin, Yiqing","Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)","Chemical Communications","2022","","","","","10.1039/D2CC05218K","","electron","0.02501","electron","","0.2661","0.1619","","","0.3786","0.4095","","","","","","0.984","","","","has coordinates,has disorder","278864","2022-10-29","08:09:11",""
"7130937","11.238","0.002","13.188","0.003","30.929","0.006","90","","90","","90","","4583.9","1.6","80.15","","80.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SMTP-7D","(S)-2,5-bis((2R,3S)-2-((E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl)pentanoic acid","","- C51 H68 N2 O10 -","- C51 H68 N2 O10 -","- C204 H272 N8 O40 -","4","1","","Wang, Bo; Lin, Yiqing","Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)","Chemical Communications","2022","","","","","10.1039/D2CC05218K","","electron","0.02501","electron","","0.188","0.1454","","","0.3458","0.3675","","","","","","1.206","","","","has coordinates","278864","2022-10-29","08:09:14",""
"7130938","14.4586","0.0009","27.1124","0.0013","22.5764","0.0012","90","","96.244","0.002","90","","8797.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H120 N16 P4 S2.66 U -","- C60 H120 N16 P4 S2.67 U -","- C240 H480 N64 P16 S10.68 U4 -","4","1","","Aguirre Quintana, Luis M.; Rajeshkumar, Thayalan; Jiang, Ningxin; Niklas, Julie; Bacsa, John; Maron, Laurent; La Pierre, Henry Storms","Elemental Chalcogen Reactions of a Tetravalent Uranium Imidophosphorane Complex: Cleavage of Dioxygen","Chemical Communications","2022","","","","","10.1039/D2CC05066H","","","0.71073","MoKα","","0.0898","0.0759","","","0.1722","0.1817","","","","","","1.06","","","","has coordinates,has disorder","278881","2022-11-01","08:09:38",""
"7130939","14.4586","0.0009","27.1124","0.0013","22.5764","0.0012","90","","96.244","0.002","90","","8797.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72.5 H140 N16 O2 P4 Se2.69 U -","- C60 H120 N16 P4 Se2.6884 U -","- C240 H480 N64 P16 Se10.7536 U4 -","4","1","","Aguirre Quintana, Luis M.; Rajeshkumar, Thayalan; Jiang, Ningxin; Niklas, Julie; Bacsa, John; Maron, Laurent; La Pierre, Henry Storms","Elemental Chalcogen Reactions of a Tetravalent Uranium Imidophosphorane Complex: Cleavage of Dioxygen","Chemical Communications","2022","","","","","10.1039/D2CC05066H","","x-ray","0.71073","MoKα","","0.1005","0.0799","","","0.1629","0.1746","","","","","","1.047","","","","has coordinates,has disorder","278881","2022-11-01","08:09:40",""
"7130940","23.867","0.0003","20.5849","0.0003","23.4795","0.0003","90","","117.284","0.002","90","","10252.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C200 H293.03 B2 F8 N22 O45 -","- C200 H293.036 B2 F8 N22 O45 -","- C400 H586.072 B4 F16 N44 O90 -","2","0.5","","Wu, Jinyang; Luo, Youran; Chen, Lingxuan; Sun, Xuan; Chen, Xinnan; Qin, Song; Feng, Wen; Li, Xiaowei; Yuan, Lihua","A host–guest interaction activated Bobbitt oxidant for highly efficient oxidation of alcohols","Chemical Communications","2022","","","","","10.1039/D2CC05027G","","x-ray","1.54184","CuKα","","0.139","0.093","","","0.2433","0.2627","","","","","","0.927","","","","has coordinates,has disorder","278901","2022-11-01","22:55:52",""
"7130941","20.0178","0.0011","8.9301","0.0005","30.0676","0.0017","90","","102.188","0.003","90","","5253.8","0.5","152","","152","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H47 Cl3 N6 O2 -","- C61 H47 Cl3 N6 O2 -","- C244 H188 Cl12 N24 O8 -","4","1","","Wang, Xiaofei; Qian, Manping; Jiang, Jiaxing; Gao, Qiang; Zhang, Chengxiao; Qi, Honglan","Mechano-chromic and mechano-enhanced electrogenerated chemiluminescence of tetra[4-(4-cyanophenyl)phenyl]ethene","Chemical Communications","2022","","","","","10.1039/D2CC04735G","","","1.54178","CuKα","","0.1333","0.1182","","","0.3383","0.364","","","","","","1.602","","","","has coordinates,has disorder","278902","2022-11-01","22:56:23",""
"7130942","15.553","0.0013","20.5519","0.0013","16.8582","0.001","90","","116.003","0.003","90","","4843.1","0.6","103","2","103","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Au B F20 Fe N2 O3 P2 -","- C46 H36 Au B F20 Fe N2 O3 P2 -","- C184 H144 Au4 B4 F80 Fe4 N8 O12 P8 -","4","1","","Toh, Zhi Hao; Tinnermann, Hendrik; Do, Dinh Cao Huan; Huynh, Han Vinh; Kraemer, Tobias; Young, Rowan Drury","Gauging the donor strength of iron(0) complexes via their N-heterocyclic carbene gold(I) adducts","Chemical Communications","2022","","","","","10.1039/D2CC05041B","","","0.71073","MoKα","","0.0434","0.0292","","","0.0563","0.0624","","","","","","1.035","","","","has coordinates","278903","2022-11-01","22:57:03",""
"7130943","16.084","0.0007","8.3385","0.0003","19.9778","0.0009","90","","109.682","0.002","90","","2522.81","0.18","100","2","100","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 Au B F20 Fe2 O6 P4 -","- C42 H36 Au B F20 Fe2 O6 P4 -","- C84 H72 Au2 B2 F40 Fe4 O12 P8 -","2","0.5","","Toh, Zhi Hao; Tinnermann, Hendrik; Do, Dinh Cao Huan; Huynh, Han Vinh; Kraemer, Tobias; Young, Rowan Drury","Gauging the donor strength of iron(0) complexes via their N-heterocyclic carbene gold(I) adducts","Chemical Communications","2022","","","","","10.1039/D2CC05041B","","","0.71073","MoKα","","0.0166","0.0161","","","0.0426","0.043","","","","","","1.033","","","","has coordinates","278903","2022-11-01","22:57:03",""
"7130944","13.9025","0.001","15.8033","0.0008","11.9884","0.0008","90","","100.747","0.006","90","","2587.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N8 O16 -","- C22 H18 N8 O16 -","- C88 H72 N32 O64 -","4","0.5","","Wang, Peng-Hao; Zhang, Xiao-Yue; Fan, Jin-Ai; Sun, Cai","Unveil the Effect of Water on Photoinduced Electron Transfer by Crystallographic Study","Chemical Communications","2022","","","","","10.1039/D2CC04786A","","","0.71073","MoKα","","0.0634","0.0458","","","0.1248","0.1393","","","","","","1.0314","","","","has coordinates","278913","2022-11-02","22:54:35",""
"7130945","10.4653","0.0002","10.4653","0.0002","31.2709","0.0011","90","","90","","90","","3424.87","0.15","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H15 F6 P Si -","- C16 H15 F6 P Si -","- C128 H120 F48 P8 Si8 -","8","1","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0487","0.0349","","","0.0774","0.0863","","","","","","1.08","","","","has coordinates","278926","2022-11-03","22:56:15",""
"7130946","12.2387","0.0008","11.0061","0.0007","8.6295","0.0005","90","","95.664","0.002","90","","1156.72","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H12 F3 N2 P -","- C10 H12 F3 N2 P -","- C40 H48 F12 N8 P4 -","4","1","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0503","0.0452","","","0.1106","0.1171","","","","","","1.084","","","","has coordinates","278926","2022-11-03","22:56:16",""
"7130947","10.5114","0.0003","13.505","0.0003","14.7354","0.0003","85.562","0.001","79.363","0.001","86.769","0.001","2047.79","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 P Si2 -","- C13 H25 P Si2 -","- C65 H125 P5 Si10 -","5","2.5","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0756","0.0453","","","0.0981","0.1166","","","","","","1.045","","","","has coordinates,has disorder","278926","2022-11-03","22:56:16",""
"7130948","13.9601","0.0006","7.9856","0.0003","19.8245","0.0009","90","","103.593","0.002","90","","2148.13","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 F6 P Si2 -","- C17 H25 F6 P Si2 -","- C68 H100 F24 P4 Si8 -","4","1","","Coles, Nathan Thomas; Groth, Lucie; Dettling, Lea; Frost, Daniel Sebastian; Rigo, Massimo; Neale, Samuel E.; Muller, Christian","Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles","Chemical Communications","2022","","","","","10.1039/D2CC05178H","","","0.71073","MoKα","","0.0594","0.0452","","","0.0972","0.1073","","","","","","1.091","","","","has coordinates","278926","2022-11-03","22:56:16",""
"7130949","12.5189","0.0004","10.2586","0.0004","18.1361","0.0007","90","","97.843","0.004","90","","2307.37","0.15","150.02","0.1","150.02","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C116 H132 N4 O8 -","4","1","","Ahmad, Feroz; Ranga, Pavit K.; Pankhade, Yogesh A.; Fatma, Shaheen; Gouda, Ashrumochan; Vijaya Anand, Ramasamy","Pd(II)-catalyzed annulation of terminal alkynes with 2-pyridinyl-substituted p-quinone methides: Direct access to indolizines","Chemical Communications","2022","","","","","10.1039/D2CC04395E","","x-ray","0.71073","MoKα","","0.0955","0.0708","","","0.1848","0.2251","","","","","","1.062","","","","has coordinates","278927","2022-11-03","22:57:06",""
"7130950","8.1465","0.0003","8.8611","0.0003","38.0503","0.0012","90","","90","","90","","2746.74","0.16","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N O10 -","- C23 H23 Cl4 N O10 -","- C92 H92 Cl16 N4 O40 -","4","1","","Sun, Yuanjun; Tang, Wenhao; Ni, Huxin; Wang, Mei; Huang, Bin; Long, Yaqiu","Convergent Synthesis of Tetrahydropyranyl Side Chain of Verucopeptin, an Antitumor Antibiotic Active against Multidrug-resistant Cancers","Chemical Communications","2022","","","","","10.1039/D2CC04529J","","","1.54178","CuKα","","0.0963","0.0753","","","0.1614","0.1782","","","","","","1.137","","","","has coordinates","278928","2022-11-03","22:57:30",""
"7130951","3.69326","0.00008","3.69326","0.00008","13.4133","0.0003","90","","90","","90","","182.96","0.007","295","","295","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- D4.84 La4 Li2 N3.16 -","- D4.84 La4 Li2 N3.16 -","- D4.84 La4 Li2 N3.16 -","1","0.03125","","Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger","Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides","Chemical Communications","2022","","","","","10.1039/D2CC04356D","powder diffraction","","1.865","neutron","","","","","","","","","0.0406","1.66","","","","","","","has coordinates","278929","2022-11-03","22:58:00",""
"7130952","3.69312","0.00006","3.69312","0.00006","13.41285","0.00025","90","","90","","90","","182.94","0.005","295","","295","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- D4.92 La4 Li2 N3.08 -","- D4.92 La4 Li2 N3.08 -","- D4.92 La4 Li2 N3.08 -","1","0.03125","","Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger","Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides","Chemical Communications","2022","","","","","10.1039/D2CC04356D","powder diffraction","","1.865","neutron","","","","","","","","0.0368","","1.89","","","","","","","has coordinates","278930","2022-11-03","22:58:36",""
"7130953","3.6574","0.00006","3.6574","0.00006","13.3679","0.0004","90","","90","","90","","178.817","0.007","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- H3.13 La4 Li2 N1.68 O2.32 -","- H3.128 La4 Li2 N1.68 O2.32 -","- H3.128 La4 Li2 N1.68 O2.32 -","1","0.03125","","Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger","Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides","Chemical Communications","2022","","","","","10.1039/D2CC04356D","powder diffraction","","1.494","neutron","","","","","","","","","0.1052","2.08","","","","","","","has coordinates","278930","2022-11-03","22:58:36",""
"7130954","3.65603","0.00004","3.65603","0.00004","13.3557","0.0002","90","","90","","90","","178.52","0.004","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- D3.8 La4 Li2 N1.69 O2.31 -","- D3.796 La4 Li2 N1.692 O2.308 -","- D3.796 La4 Li2 N1.692 O2.308 -","1","0.03125","","Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger","Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides","Chemical Communications","2022","","","","","10.1039/D2CC04356D","powder diffraction","","1.494","neutron","","","","","","","","","0.0313","1.76","","","","","","","has coordinates","278930","2022-11-03","22:58:36",""
"7130955","10.4977","0.0003","13.285","0.0005","14.4578","0.0005","116.579","0.003","91.872","0.002","107.172","0.003","1690.51","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H41 Cl Cu N -","- C41 H41 Cl Cu N -","- C82 H82 Cl2 Cu2 N2 -","2","1","","Chu, Wenchao; Zhou, Tongliang; Bisz, Elwira; Dziuk, Blazej; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","CAAC–IPr*: Easily Accessible, Highly Sterically-Hindered Cyclic (Alkyl)(Amino)Carbenes","Chemical Communications","2022","","","","","10.1039/D2CC05668B","","","0.71073","MoKα","","0.0899","0.0414","","","0.0694","0.0786","","","","","","0.869","","","","has coordinates","278942","2022-11-04","22:55:32",""
"7130956","18.9464","0.0002","10.4063","0.0001","17.4414","0.0002","90","","100.363","0.001","90","","3382.69","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Cl Cu N O -","- C41 H41 Cl Cu N O -","- C164 H164 Cl4 Cu4 N4 O4 -","4","1","","Chu, Wenchao; Zhou, Tongliang; Bisz, Elwira; Dziuk, Blazej; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","CAAC–IPr*: Easily Accessible, Highly Sterically-Hindered Cyclic (Alkyl)(Amino)Carbenes","Chemical Communications","2022","","","","","10.1039/D2CC05668B","","x-ray","1.54184","CuKα","","0.0284","0.0271","","","0.0726","0.0734","","","","","","1.04","","","","has coordinates","278942","2022-11-04","22:55:33",""
"7130957","11.173","0.003","5.3337","0.0015","25.755","0.007","90","","95.565","0.01","90","","1527.6","0.7","108","2","108","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O5 S -","- C17 H12 N2 O5 S -","- C68 H48 N8 O20 S4 -","4","1","","Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, ?; Sawant, Sanghapal D.","Visible-light-promoted iron-catalyzed C-H functionalization of 1,4-naphthoquinones <i>via</i> oxidative coupling with sulfoximines.","Chemical communications (Cambridge, England)","2022","58","80","11312","11315","10.1039/d2cc03319d","","","0.71073","MoKα","","0.0412","0.0372","","","0.094","0.0966","","","","","","1.087","","","","has coordinates","278950","2022-11-05","03:44:01",""
"7130958","11.2316","0.0006","12.5683","0.0007","14.3333","0.0007","91.434","0.004","103.968","0.004","100.004","0.004","1928.89","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H35 Cu F6 I N2 O P -","- C39 H35 Cu F6 I N2 O P -","- C78 H70 Cu2 F12 I2 N4 O2 P2 -","2","1","","Saha, Suchismita; Kundu, Sohom; Biswas, Pronay Kumar; Bolte, Michael; Schmittel, Michael","Dynamics of the alkyne → copper(i) interaction and its use in a heteroleptic four-component catalytic rotor","Chemical Communications","2022","","","","","10.1039/D2CC04497H","","","0.71073","MoKα","","0.0646","0.0549","","","0.1478","0.1594","","","","","","1.036","","","","has coordinates,has disorder","279038","2022-11-07","22:55:33",""
"7130959","8.3476","0.0014","12.016","0.002","11.2069","0.0019","90","","96.481","0.006","90","","1116.9","0.3","193","","193","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C48 H54 N2 O10 S2 -","2","1","","Yang, Zhenkun; Xie, Hongling; Tang, Luning; Sun, Jianwei; Han, Zhengyu; Huang, Hai","Construction of Diverse Polycyclic N-Heterocycles via Cascade Allylic Amination/Diels−Alder Reaction","Chemical Communications","2022","","","","","10.1039/D2CC05208C","","","1.34139","GaKα","","0.0398","0.0375","","","0.0986","0.1006","","","","","","1.088","","","","has coordinates,has disorder","279039","2022-11-07","22:55:57",""
"7130960","12.083","0.003","13.097","0.003","13.743","0.003","88.302","0.007","86.483","0.008","87.468","0.008","2167.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H64 Al4 Cl8 O8 P4 -","- C100 H64 Al4 Cl8 O8 P4 -","- C100 H64 Al4 Cl8 O8 P4 -","1","0.5","","Federmann, Patrick; Bosse, Tamino; Wolff, Siad; Cula, Beatrice; Herwig, Christian; Limberg, Christian","A strained intramolecular P/Al-FLP and its reactivity toward allene","Chemical Communications","2022","","","","","10.1039/D2CC05640B","","","0.71073","MoKα","","0.0709","0.0483","","","0.1029","0.1148","","","","","","1.026","","","","has coordinates","279040","2022-11-07","22:57:00",""
"7130961","10.0145","0.001","14.1044","0.0013","16.1893","0.0013","90","","90","","90","","2286.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Al Cl2 P -","- C27 H20 Al Cl2 P -","- C108 H80 Al4 Cl8 P4 -","4","1","","Federmann, Patrick; Bosse, Tamino; Wolff, Siad; Cula, Beatrice; Herwig, Christian; Limberg, Christian","A strained intramolecular P/Al-FLP and its reactivity toward allene","Chemical Communications","2022","","","","","10.1039/D2CC05640B","","","0.71073","MoKα","","0.0229","0.0225","","","0.0609","0.0613","","","","","","1.042","","","","has coordinates","279040","2022-11-07","22:57:00",""
"7130962","9.8677","0.0004","12.9432","0.0005","18.0733","0.0008","90","","94.123","0.002","90","","2302.34","0.16","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 P Sn -","- C27 H25 P Sn -","- C108 H100 P4 Sn4 -","4","1","","Federmann, Patrick; Bosse, Tamino; Wolff, Siad; Cula, Beatrice; Herwig, Christian; Limberg, Christian","A strained intramolecular P/Al-FLP and its reactivity toward allene","Chemical Communications","2022","","","","","10.1039/D2CC05640B","","","0.71073","MoKα","","0.019","0.0185","","","0.0451","0.0453","","","","","","1.076","","","","has coordinates","279040","2022-11-07","22:57:01",""
"7130963","11.3572","0.001","12.4085","0.0011","14.7374","0.0009","90","","97.645","0.002","90","","2058.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Al Cl2 P -","- C24 H16 Al Cl2 P -","- C96 H64 Al4 Cl8 P4 -","4","1","","Federmann, Patrick; Bosse, Tamino; Wolff, Siad; Cula, Beatrice; Herwig, Christian; Limberg, Christian","A strained intramolecular P/Al-FLP and its reactivity toward allene","Chemical Communications","2022","","","","","10.1039/D2CC05640B","","","0.71073","MoKα","","0.0248","0.0237","","","0.0623","0.0632","","","","","","1.025","","","","has coordinates","279040","2022-11-07","22:57:01",""
"7130964","32.453","0.002","8.0862","0.0006","36.082","0.003","90","","106.856","0.003","90","","9061.9","1.2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H120 Ag Bi2 Br19 N10 O0.25 -","- C40 H116 Ag Bi2 Br19 N10 -","- C160 H464 Ag4 Bi8 Br76 N40 -","4","0.5","","Guo, Zhongnan; Ruan, Hang; Lin, Jiawei; Sun, Fan; Liu, Kunjie; Chen, Xin; Zhao, Jing; Yuan, Wenxia","(BA)10AgBi2Br19: a one-dimensional halide double perovskite with unique Br trimer","Chemical Communications","2022","","","","","10.1039/D2CC05128A","","x-ray","0.71073","MoKα","","0.1179","0.0812","","","0.199","0.2234","","","","","","1.065","","","","has coordinates","279119","2022-11-08","22:54:43",""
"7130965","32.948","0.003","20.5987","0.0016","41.696","0.003","90","","113.007","0.004","90","","26048","4","200","","200","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C127 H162 Cl6 N6 O21 -","- C109 H90 Cl6 N6 O3 -","- C872 H720 Cl48 N48 O24 -","8","2","","Cao, Fan; Duan, Honghong; Li, Qingfang; Cao, Liping","A tetraphenylethene-based hexacationic molecular cage with an open cavity","Chemical Communications","2022","","","","","10.1039/D2CC05153B","","","1.34139","GaKα","","0.1758","0.1197","","","0.2527","0.2778","","","","","","1.107","","","","has coordinates,has disorder","279120","2022-11-08","22:56:03",""
"7130966","48.4768","0.0018","17.0639","0.0007","16.775","0.0007","90","","90","","90","","13876.3","1","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C146 H119 F36 N13 O2 P6 -","- C132 H98 F36 N6 O2 P6 -","- C528 H392 F144 N24 O8 P24 -","4","1","","Cao, Fan; Duan, Honghong; Li, Qingfang; Cao, Liping","A tetraphenylethene-based hexacationic molecular cage with an open cavity","Chemical Communications","2022","","","","","10.1039/D2CC05153B","","","1.34139","GaKα","","0.0974","0.091","","","0.1862","0.1891","","","","","","1.073","","","","has coordinates,has disorder","279120","2022-11-08","22:56:03",""
"7130967","10.998","0.002","13.5","0.003","26.336","0.005","90","","97.41","0.003","90","","3877.5","1.3","90.15","","90.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Al I2 O Si -","- C37 H55 Al I2 O Si -","- C148 H220 Al4 I8 O4 Si4 -","4","1","","Queen, Joshua D.; Power, Philip P.","Comproportionation of a dialuminyne with alane or dialane dihalides as a clean route to dialuminenes.","Chemical communications (Cambridge, England)","2022","59","1","43","46","10.1039/d2cc05646a","","","0.71073","MoKα","","0.0289","0.0238","","","0.0566","0.0596","","","","","","1.058","","","","has coordinates","281319","2023-03-04","17:39:58",""
"7130968","17.4939","0.0008","12.7921","0.0007","18.3769","0.0009","90","","109.048","0.002","90","","3887.3","0.3","90.15","","90.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Al I Si -","- C40 H53 Al I Si -","- C160 H212 Al4 I4 Si4 -","4","1","","Queen, Joshua D.; Power, Philip P.","Comproportionation of a dialuminyne with alane or dialane dihalides as a clean route to dialuminenes.","Chemical communications (Cambridge, England)","2022","59","1","43","46","10.1039/d2cc05646a","","","1.54178","CuKα","","0.0583","0.0554","","","0.1441","0.1464","","","","","","1.012","","","","has coordinates,has disorder","281319","2023-03-04","17:39:58",""
"7130969","11.3894","0.0011","19.669","0.002","32.66","0.006","90","","91.426","0.006","90","","7314.2","1.7","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81 H105 Al2 Si2 -","- C81 H105 Al2 Si2 -","- C324 H420 Al8 Si8 -","4","1","","Queen, Joshua D.; Power, Philip P.","Comproportionation of a dialuminyne with alane or dialane dihalides as a clean route to dialuminenes.","Chemical communications (Cambridge, England)","2022","59","1","43","46","10.1039/d2cc05646a","","","0.71073","MoKα","","0.0471","0.0443","","","0.1137","0.1157","","","","","","1.044","","","","has coordinates","281319","2023-03-04","17:39:58",""
"7130970","11.4744","0.001","17.7494","0.0015","21.1607","0.0018","98.481","0.001","90.422","0.001","106.927","0.001","4072.1","0.6","90.15","","90.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H57 Al Na Si -","- C43.5 H57 Al Na Si -","- C174 H228 Al4 Na4 Si4 -","4","2","","Queen, Joshua D.; Power, Philip P.","Comproportionation of a dialuminyne with alane or dialane dihalides as a clean route to dialuminenes.","Chemical communications (Cambridge, England)","2022","59","1","43","46","10.1039/d2cc05646a","","","0.71073","MoKα","","0.0632","0.0496","","","0.1363","0.148","","","","","","1.02","","","","has coordinates,has disorder","281319","2023-03-04","17:39:58",""
"7130971","14.457","0.005","24.213","0.014","27.46","0.02","90","","90","","90","","9612","10","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H49 Mn Mo9 Na3.05 O78 -","- C42 H49 Mn Mo9 Na3.05 O78 -","- C168 H196 Mn4 Mo36 Na12.2 O312 -","4","1","","Qi, Zhen-Qing; Wang, Ming-Yue; Shen, Jia-Chi; Lan, YouZhao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Supramolecular Hybrids of Chiral Waugh Polyoxometalate with Cyclodextrins","Chemical Communications","2022","","","","","10.1039/D2CC05529E","","","0.71073","MoKα","","0.0575","0.0535","","","0.1611","0.1676","","","","","","1.066","","","","has coordinates","279157","2022-11-09","22:56:15",""
"7130972","19.361","0.003","37.863","0.006","35.71","0.006","90","","90","","90","","26178","7","160","","160","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H112 Mn3 Mo27 Na5 O181 -","- C96 H112 Mn3 Mo27 Na5 O181 -","- C384 H448 Mn12 Mo108 Na20 O724 -","4","0.5","","Qi, Zhen-Qing; Wang, Ming-Yue; Shen, Jia-Chi; Lan, YouZhao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Supramolecular Hybrids of Chiral Waugh Polyoxometalate with Cyclodextrins","Chemical Communications","2022","","","","","10.1039/D2CC05529E","","","0.71073","MoKα","","0.1003","0.079","","","0.2292","0.2501","","","","","","1.037","","","","has coordinates,has disorder","279157","2022-11-09","22:56:15",""
"7130973","13.9892","0.0007","20.1086","0.0009","8.5463","0.0004","90","","124.703","0.002","90","","1976.45","0.17","304","2","304","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Ce N5 O9 -","- C14 H20 Ce N5 O9 -","- C56 H80 Ce4 N20 O36 -","4","0.5","","Feng, Xuan; Li, Wenying; Yang, Lei; Song, Ting; Xia, Zhaoming; Lai, Qiuxue; Zhou, Xuemei; Hai, Xiao; Liu, Chong","Ce-Hydroxamate Metal-Organic Frameworks for Photocatalytic H2 Generation","Chemical Communications","2022","","","","","10.1039/D2CC05189C","","","0.71073","MoKα","","0.0518","0.0418","","","0.1088","0.1137","","","","","","1.107","","","","has coordinates,has disorder","279158","2022-11-09","22:56:59",""
"7130974","17.45","0.003","17.45","0.003","16.295","0.004","90","","90","","90","","4961.9","1.7","304","2","304","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C10 H9 Ce N2 O6 -","- C10 H9 Ce N2 O6 -","- C80 H72 Ce8 N16 O48 -","8","0.5","","Feng, Xuan; Li, Wenying; Yang, Lei; Song, Ting; Xia, Zhaoming; Lai, Qiuxue; Zhou, Xuemei; Hai, Xiao; Liu, Chong","Ce-Hydroxamate Metal-Organic Frameworks for Photocatalytic H2 Generation","Chemical Communications","2022","","","","","10.1039/D2CC05189C","","","0.71073","MoKα","","0.0349","0.0307","","","0.08","0.082","","","","","","1.045","","","","has coordinates","279158","2022-11-09","22:57:00",""
"7130975","10.0687","0.0004","10.0687","0.0004","20.8088","0.0007","90","","90","","90","","2109.57","0.14","120","2","119.98","","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H28 N4 S4 Sn Zn2 -","- C12 H28 N4 S4 Sn Zn2 -","- C48 H112 N16 S16 Sn4 Zn8 -","4","0.25","","Lin-Mei, Zhang; Kong, Yinan; Zhou, Rui; Yuan, Shang-Fu; Wu, Tao","X-ray photochromism of chalcogenide frameworks linked with metal-amine chelates","Chemical Communications","2022","","","","","10.1039/D2CC05407H","","","0.71073","MoKα","","0.03","0.0254","","","0.0549","0.0588","","","","","","1.13","","","","has coordinates","279159","2022-11-09","22:57:38",""
"7130976","13.44118","0.00007","13.44118","0.00007","14.28207","0.00011","90","","90","","90","","2580.27","0.03","100","0.1","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C16 H36 N4 S4 Sn Zn2 -","- C16 H36 N4 S4 Sn Zn2 -","- C64 H144 N16 S16 Sn4 Zn8 -","4","0.25","","Lin-Mei, Zhang; Kong, Yinan; Zhou, Rui; Yuan, Shang-Fu; Wu, Tao","X-ray photochromism of chalcogenide frameworks linked with metal-amine chelates","Chemical Communications","2022","","","","","10.1039/D2CC05407H","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0749","0.075","","","","","","1.129","","","","has coordinates","279159","2022-11-09","22:57:38",""
"7130977","8.144","0.002","9.764","0.002","26.58","0.005","90","","98.77","0.03","90","","2088.9","0.8","296","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F5 N2 O3 P -","- C19 H18 F5 N2 O3 P -","- C76 H72 F20 N8 O12 P4 -","4","1","","Laru, Sudip; Bhattacharjee, Suvam; Hajra, Alakananda","Visible-Light-Induced Mn(0)-Catalyzed Direct C3 Mono-, Di- and Perfluoroalkylations of 2H-Indazoles","Chemical Communications","2022","","","","","10.1039/D2CC05021H","","","0.71073","MoKα","","0.1056","0.077","","","0.2143","0.2308","","","","","","1.095","","","","has coordinates","279234","2022-11-11","22:54:37",""
"7130978","19.6114","0.0012","19.6114","0.0012","11.0115","0.0009","90","","90","","90","","4235.1","0.5","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H96 Ba N5 O47 S12 V12 -","- C32 H96 Ba N5 O47 S12 V12 -","- C64 H192 Ba2 N10 O94 S24 V24 -","2","0.25","","Repp, Stefan; Steiner, Michael; Anjass, Montaha; Sorsche, Dieter; Streb, Carsten","Cation-controlled capture of polyoxovanadate-based organic-inorganic 1D architectures","Chemical Communications","2022","","","","","10.1039/D2CC04379C","","","0.71073","MoKα","","0.0262","0.0249","","","0.0693","0.071","","","","","","1.127","","","","has coordinates,has disorder","279235","2022-11-11","22:58:07",""
"7130979","19.6892","0.0016","19.6892","0.0016","10.9971","0.0013","90","","90","","90","","4263.2","0.7","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C32 H96 La N5 O47 S12 V12 -","- C32 H96 La N5 O47 S12 V12 -","- C64 H192 La2 N10 O94 S24 V24 -","2","0.25","","Repp, Stefan; Steiner, Michael; Anjass, Montaha; Sorsche, Dieter; Streb, Carsten","Cation-controlled capture of polyoxovanadate-based organic-inorganic 1D architectures","Chemical Communications","2022","","","","","10.1039/D2CC04379C","","","0.71073","MoKα","","0.0374","0.0357","","","0.0915","0.0926","","","","","","1.084","","","","has coordinates,has disorder","279235","2022-11-11","22:58:17",""
"7130980","12.0865","0.0006","12.4636","0.0006","17.3007","0.0008","90","","104.435","0.005","90","","2523.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(3,6-diphenylthieno[3,4-b]thiophene-2,4-diyl)bis(phenylmethanone)'","","- C32 H20 O2 S2 -","- C32 H20 O2 S2 -","- C128 H80 O8 S8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","x-ray","0.71073","MoKα","","0.0588","0.0434","","","0.1075","0.1166","","","","","","1.014","","","","has coordinates","279261","2022-11-14","22:57:02",""
"7130981","19.7293","0.0014","14.6779","0.0004","11.7861","0.0003","90","","94.661","0.007","90","","3401.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'dimethyl 4,4'-(2,4-bis(4-(methoxycarbonyl)benzoyl)thieno[3,4-b] thiophene-3,6-diyl)dibenzoate'","","- C40 H28 O10 S2 -","- C40 H28 O10 S2 -","- C160 H112 O40 S8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","","1.54187","CuKα","","0.1313","0.0674","","","0.1479","0.2094","","","","","","1.007","","","","has coordinates","279261","2022-11-14","22:57:03",""
"7130982","11.4125","0.0009","12.1675","0.0008","12.9619","0.001","77.294","0.006","83.42","0.007","74.234","0.006","1686.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","'4,4'-(2,4-bis(4-cyanobenzoyl)thieno[3,4-b]thiophene-3,6-diyl)dibenzonitrile deuterated chloroform solvate'","","- C37 H16 Cl3 D N4 O2 S2 -","- C37 H17 Cl3 N4 O2 S2 -","- C74 H34 Cl6 N8 O4 S4 -","2","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","x-ray","0.71073","MoKα","","0.1254","0.0753","","","0.1754","0.2196","","","","","","1.11","","","","has coordinates,has disorder","279261","2022-11-14","22:57:03",""
"7130983","18.6659","0.0008","12.4099","0.0006","19.1062","0.0007","90","","96.991","0.004","90","","4392.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'4,4'-(5-(4-cyanophenyl)thiophene-2,3-dicarbonyl)dibenzonitrile'","","- C27 H13 N3 O2 S -","- C27 H13 N3 O2 S -","- C216 H104 N24 O16 S8 -","8","2","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","x-ray","0.71073","MoKα","","0.0853","0.05","","","0.135","0.1546","","","","","","1.025","","","","has coordinates,has disorder","279261","2022-11-14","22:57:03",""
"7130984","14.9171","0.001","11.5193","0.001","10.7037","0.0008","90","","98.827","0.007","90","","1817.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'1,4-diazabicyclo[2.2.2]octan-1-ium 2-(4-isopropylphenyl)-2-oxoethanedithioate'","","- C17 H24 N2 O S2 -","- C17 H24 N2 O S2 -","- C68 H96 N8 O4 S8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","x-ray","0.71073","MoKα","","0.0592","0.0415","","","0.1102","0.1173","","","","","","0.992","","","","has coordinates,has disorder","279261","2022-11-14","22:57:03",""
"7130985","12.96","0.0009","15.6784","0.0009","15.0197","0.0009","90","","110.769","0.007","90","","2853.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'(3,6-bis(3-bromophenyl)thieno[3,4-b]thiophene-2,4-diyl)bis ((3-bromophenyl)methanone)'","","- C32 H16 Br4 O2 S2 -","- C32 H16 Br4 O2 S2 -","- C128 H64 Br16 O8 S8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones","Chemical Communications","2022","","","","","10.1039/D2CC05539B","","x-ray","0.71073","MoKα","","0.0506","0.0372","","","0.0898","0.0961","","","","","","1.0836","","","","has coordinates,has disorder","279261","2022-11-14","22:57:03",""
"7130986","10.2656","0.0001","10.3735","0.0001","15.2757","0.0002","102.558","0.001","101.438","0.001","104.369","0.001","1482.37","0.03","104","1","104","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","2","","Crawford, Ruairi; Di Filippo, Mara; Guthrie, Duncan; Baumann, Marcus","Consecutive photochemical reactions enabled by a dual flow reactor coil strategy","Chemical Communications","2022","","","","","10.1039/D2CC05601A","","x-ray","1.54184","CuKα","","0.0425","0.0416","","","0.1069","0.1077","","","","","","1.042","","","","has coordinates,has disorder","279262","2022-11-14","22:58:04",""
"7130987","16.1677","0.0003","8.7002","0.0001","18.9428","0.0003","90","","101.37","0.002","90","","2612.24","0.07","101","1","101","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 Cl2 K Np O P2 -","- C20 H34 Cl2 K Np O P2 -","- C80 H136 Cl8 K4 Np4 O4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0635","0.0347","","","0.0715","0.0759","","","","","","0.763","","","","has coordinates","279263","2022-11-14","23:01:03",""
"7130988","9.1277","0.0006","10.5943","0.0005","18.8451","0.001","90","","101.128","0.006","90","","1788.09","0.18","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 K O2 P -","- C16 H28 K O2 P -","- C64 H112 K4 O8 P4 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0665","0.0582","","","0.1574","0.1648","","","","","","1.062","","","","has coordinates","279263","2022-11-14","23:01:07",""
"7130989","11.6875","0.0008","13.1727","0.0011","15.8575","0.0014","99.655","0.007","96.384","0.006","99.298","0.006","2351","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 I O P2 U -","- C20 H32 I O P2 U -","- C80 H128 I4 O4 P8 U4 -","4","2","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0375","0.0264","","","0.054","0.0576","","","","","","0.962","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130990","8.5818","0.0002","19.2369","0.0004","29.3792","0.0007","89.425","0.002","89.166","0.002","79.46","0.002","4767.66","0.19","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 Cl2 K Np O P2 -","- C18 H29 Cl2 K Np O P2 -","- C144 H232 Cl16 K8 Np8 O8 P16 -","8","4","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.1497","0.0946","","","0.2822","0.3036","","","","","","1.168","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130991","23.4083","0.00018","10.04593","0.00007","14.80861","0.00011","90","","90","","90","","3482.37","0.04","99.99","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K P2 Pr -","- C37 H46 K P2 Pr -","- C148 H184 K4 P8 Pr4 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0305","0.0303","","","0.0794","0.0797","","","","","","1.052","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130992","23.4224","0.0002","10.0677","0.0001","14.906","0.0001","90","","90","","90","","3514.98","0.05","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K La P2 -","- C37 H46 K La P2 -","- C148 H184 K4 La4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.037","0.0363","","","0.0982","0.0988","","","","","","1.115","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130993","23.4361","0.0001","9.9974","0.0001","14.8509","0.0001","90","","90","","90","","3479.57","0.04","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K P2 U -","- C37 H46 K P2 U -","- C148 H184 K4 P8 U4 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0222","0.0222","","","0.0594","0.0595","","","","","","1.08","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130994","23.4277","0.0012","10.0191","0.0004","14.8503","0.0006","90","","90","","90","","3485.7","0.3","119","5","119","5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 K Np P2 -","- C37 H46 K Np P2 -","- C148 H184 K4 Np4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0636","0.0401","","","0.0569","0.0631","","","","","","1.029","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130995","23.4368","0.0002","10.0489","0.0001","14.8574","0.0001","90","","90","","90","","3499.13","0.05","99.99","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 Ce K P2 -","- C37 H46 Ce K P2 -","- C148 H184 Ce4 K4 P8 -","4","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","1.54184","CuKα","","0.0432","0.0429","","","0.1509","0.1511","","","","","","1.174","","","","has coordinates,has disorder","279263","2022-11-14","23:01:07",""
"7130996","11.1814","0.0003","13.0223","0.0004","17.8428","0.0004","76.498","0.003","81.654","0.002","85.265","0.003","2496.29","0.12","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H68 Cl Np2 O2 P5 -","- C47 H68 Cl Np2 O2 P5 -","- C94 H136 Cl2 Np4 O4 P10 -","2","1","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0462","0.0333","","","0.0787","0.0795","","","","","","0.847","","","","has coordinates","279263","2022-11-14","23:01:08",""
"7130997","23.0479","0.0007","14.9689","0.0006","9.7383","0.0003","90","","90","","90","","3359.7","0.2","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K Np P2 -","- C36 H44 K Np P2 -","- C144 H176 K4 Np4 P8 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0292","0.0238","","","0.0491","0.0512","","","","","","1.064","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7130998","23.418","0.0006","15.1866","0.0005","9.8667","0.0002","90","","90","","90","","3508.99","0.16","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K P2 U -","- C36 H44 K P2 U -","- C144 H176 K4 P8 U4 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","x-ray","0.71073","MoKα","","0.0245","0.0231","","","0.0552","0.0561","","","","","","1.065","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7130999","23.3784","0.0007","15.1956","0.0006","9.8873","0.0003","90","","90","","90","","3512.5","0.2","150","0.1","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H44 K P2 Pu -","- C36 H44 K P2 Pu -","- C144 H176 K4 P8 Pu4 -","4","0.5","","Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.","Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium","Chemical Communications","2022","","","","","10.1039/D2CC04803E","","","0.71073","MoKα","","0.0322","0.0251","","","0.0544","0.0571","","","","","","1.021","","","","has coordinates,has disorder","279263","2022-11-14","23:01:08",""
"7131000","9.546","0.0006","9.1361","0.0005","29.2032","0.0017","90","","93.827","0.002","90","","2541.2","0.3","300","2","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Wu, Jiaping; Sun, Peng-Peng; Hong, Yuwen; Yang, Haitao; Xie, Meihua; Zhang, Jitan","Palladium-catalyzed Interannular C-H Amination of Biaryl Amines","Chemical Communications","2022","","","","","10.1039/D2CC05129J","","","0.71073","MoKα","","0.0948","0.0572","","","0.1512","0.1766","","","","","","1.017","","","","has coordinates","279265","2022-11-14","23:02:52",""
"7131001","8.8985","0.0003","22.3112","0.0009","10.5503","0.0005","90","","101.475","0.001","90","","2052.75","0.15","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","1","","Wu, Jiaping; Sun, Peng-Peng; Hong, Yuwen; Yang, Haitao; Xie, Meihua; Zhang, Jitan","Palladium-catalyzed Interannular C-H Amination of Biaryl Amines","Chemical Communications","2022","","","","","10.1039/D2CC05129J","","","0.71073","MoKα","","0.0553","0.0402","","","0.1041","0.1155","","","","","","1.026","","","","has coordinates","279265","2022-11-14","23:03:01",""
"7131002","7.8966","0.0004","7.7464","0.0004","23.3386","0.0011","90","","96.192","0.002","90","","1419.3","0.12","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Br N O S -","- C17 H10 Br N O S -","- C68 H40 Br4 N4 O4 S4 -","4","1","","Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu","Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization","Chemical Communications","2022","","","","","10.1039/D2CC04941D","","","0.71073","MoKα","","0.0588","0.0372","","","0.0778","0.0881","","","","","","1.047","","","","has coordinates","279266","2022-11-14","23:03:52",""
"7131003","18.9441","0.0017","5.3279","0.0005","13.3123","0.001","90","","98.087","0.008","90","","1330.3","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H10 F N O S -","- C17 H10 F N O S -","- C68 H40 F4 N4 O4 S4 -","4","1","","Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu","Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization","Chemical Communications","2022","","","","","10.1039/D2CC04941D","","x-ray","0.71073","MoKα","","0.089","0.0514","","","0.093","0.1021","","","","","","0.96","","","","has coordinates","279266","2022-11-14","23:03:53",""
"7131004","12.022","0.002","7.1624","0.001","16.385","0.0018","90","","91.386","0.006","90","","1410.4","0.3","299","2","299","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl N O S -","- C17 H10 Cl N O S -","- C68 H40 Cl4 N4 O4 S4 -","4","1","","Xu, Zixuan; Wang, Zhaoyu; Zhang, Yanyun; Yao, Xiaokang; Ding, Meijuan; Shi, Huifang; An, Zhongfu","Self-contained photo-acid generators with high quantum yields triggered by photo-cyclization","Chemical Communications","2022","","","","","10.1039/D2CC04941D","","","0.71073","MoKα","","0.0686","0.0413","","","0.088","0.102","","","","","","1.021","","","","has coordinates","279266","2022-11-14","23:03:53",""
"7131005","6.1843","0.0001","11.5565","0.0001","34.6069","0.0003","90","","90","","90","","2473.32","0.05","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 Cl N3 O3 -","- C27 H31 Cl N3 O3 -","- C108 H124 Cl4 N12 O12 -","4","1","","Umedera, Kohei; Morita, Taiki; Nakamura, Hiroyuki","Asymmetric construction of densely functionalized three-dimensional aza-tetracyclic scaffolds for drug discovery","Chemical Communications","2022","","","","","10.1039/D2CC05700J","","x-ray","1.54184","CuKα","","0.0946","0.0934","","","0.2541","0.2563","","","","","","1.054","","","","has coordinates,has disorder","279267","2022-11-14","23:04:26",""
"7131006","11.6867","0.001","19.3211","0.0017","7.1481","0.0006","90","","90","","90","","1614","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","SG-46","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Park, Min Seo; Chung, Eunjae; Mishra, Neeraj Kumar; Han, Sang Hoon; Han, Sangil; Kim, Saegun; Kim, In Su","C–H amidation of 2-aryl azlactones under iridium(iii) catalysis: access to chiral amino acids","Chemical Communications","2022","","","","","10.1039/D2CC05245H","","","0.71073","MoKα","","0.1231","0.069","","","0.1191","0.1372","","","","","","1.029","","","","has coordinates","279299","2022-11-15","22:55:11",""
"7131007","8.971","0.002","27.011","0.006","9.49","0.002","90","","93.878","0.007","90","","2294.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SG-93","","","- C24 H25 F3 Ir N O4 -","- C24 H25 F3 Ir N O4 -","- C96 H100 F12 Ir4 N4 O16 -","4","1","","Park, Min Seo; Chung, Eunjae; Mishra, Neeraj Kumar; Han, Sang Hoon; Han, Sangil; Kim, Saegun; Kim, In Su","C–H amidation of 2-aryl azlactones under iridium(iii) catalysis: access to chiral amino acids","Chemical Communications","2022","","","","","10.1039/D2CC05245H","","","0.71073","MoKα","","0.0278","0.0261","","","0.0553","0.056","","","","","","1.178","","","","has coordinates,has disorder","279299","2022-11-15","22:55:12",""
"7131008","5.9714","0.0006","7.5838","0.0007","23.115","0.002","90","","96.615","0.003","90","","1039.81","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C52 H48 N4 S2 -","2","1","","Guo, Kang; Han, Chunyu; Xie, Xiaofei; Chen, Bin; Cao, Shujun; Yuan, Weidong; Chen, Kang; Liu, Fang; Zhu, Yingguang","Merging photoredox with copper catalysis: enantioselective remote cyanation <i>via</i> 1,4-heteroaryl migration.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc04653a","","","1.54178","CuKα","","0.0343","0.0341","","","0.093","0.0932","","","","","","1.037","","","","has coordinates","279330","2022-11-16","23:00:37",""
"7131009","9.6676","0.001","7.8965","0.0008","12.2576","0.001","90","","95.669","0.008","90","","931.17","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Zhang, Zhide; Deng, Yangling; Hou, Ming; Lai, Xiaojing; Guan, Meng; Zhang, Fengzhi; Qi, Rui; Qiu, Guanyinsheng","Iron/photoredox dual catalysis for acyl nitrene-based C–O bond formation towards phthalides","Chemical Communications","2022","","","","","10.1039/D2CC04917A","","","0.71073","MoKα","","0.0885","0.0494","","","0.1068","0.1208","","","","","","1.057","","","","has coordinates","279441","2022-11-21","22:54:37",""
"7131010","19.578","0.01","19.397","0.01","19.321","0.011","90","","98.024","0.016","90","","7265","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H10 Al2 F36 O4 -","- C26 H10 Al2 F36 O4 -","- C208 H80 Al16 F288 O32 -","8","1","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.0534","0.0346","","","0.0723","0.0799","","","","","","1.029","","","","has coordinates,has disorder","281334","2023-03-04","17:45:20",""
"7131011","13.709","0.005","17.095","0.007","17.529","0.006","113.074","0.01","102.677","0.016","96.97","0.02","3587","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H39 Al4 F57 O6 -","- C55 H39 Al4 F57 O6 -","- C110 H78 Al8 F114 O12 -","2","1","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.0607","0.0421","","","0.0985","0.1078","","","","","","1.027","","","","has coordinates,has disorder","281334","2023-03-04","17:45:21",""
"7131012","13.698","0.002","15.496","0.007","15.603","0.006","115.63","0.03","111.47","0.013","92.372","0.017","2699","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.88 H38 Al3 F36.75 O4 -","- C43.876 H37.992 Al3 F36.752 O4 -","- C87.752 H75.984 Al6 F73.504 O8 -","2","1","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.0579","0.0418","","","0.108","0.1222","","","","","","1.048","","","","has coordinates,has disorder","281334","2023-03-04","17:45:21",""
"7131013","20.35","0.002","22.947","0.003","40.507","0.004","90","","90","","90","","18916","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H25 Al3 F36 O4 -","- C35.999 H25 Al3 F35.9978 O3.99975 -","- C575.984 H400 Al48 F575.964 O63.996 -","16","4","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.0625","0.0488","","","0.1127","0.1207","","","","","","1.045","","","","has coordinates,has disorder","281334","2023-03-04","17:45:21",""
"7131014","25.453","0.005","25.825","0.004","30.354","0.008","113.508","0.013","111.722","0.013","92.398","0.016","16572","7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.99 H60 Al5 F54.97 O6 Si -","- C63.985 H60 Al5 F54.9662 O5.99625 Si -","- C511.88 H480 Al40 F439.73 O47.97 Si8 -","8","4","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.1302","0.0885","","","0.2182","0.2504","","","","","","1.013","","","","has coordinates,has disorder","281334","2023-03-04","17:45:21",""
"7131015","14.6391","0.0006","3.90201","0.00015","23.5802","0.001","90","","99.7137","0.0012","90","","1327.64","0.09","103","2","103.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 P S2 -","- C17 H9 P S2 -","- C68 H36 P4 S8 -","4","1","","Matsuo, Kyohei; Okumura, Rina; Hayashi, Hironobu; Aratani, Naoki; Jinnai, Seihou; Ie, Yutaka; Saeki, Akinori; Yamada, Hiroko","Phosphaacene as a structural analogue of thienoacenes for organic semiconductors","Chemical Communications","2022","","","","","10.1039/D2CC05122B","","x-ray","0.71075","MoKα","","0.0547","0.0441","","","0.1019","0.1084","","","","","","1.046","","","","has coordinates","279443","2022-11-21","22:58:15",""
"7131016","26.5674","0.0011","3.90265","0.00014","12.4158","0.0005","90","","90","","90","","1287.31","0.09","103","2","103.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Matsuo, Kyohei; Okumura, Rina; Hayashi, Hironobu; Aratani, Naoki; Jinnai, Seihou; Ie, Yutaka; Saeki, Akinori; Yamada, Hiroko","Phosphaacene as a structural analogue of thienoacenes for organic semiconductors","Chemical Communications","2022","","","","","10.1039/D2CC05122B","","x-ray","0.71075","MoKα","","0.0524","0.0473","","","0.1048","0.1081","","","","","","1.1","","","","has coordinates","279443","2022-11-21","22:58:16",""
"7131017","17.4789","0.0011","16.6281","0.0008","21.2921","0.001","90","","104.114","0.006","90","","6001.5","0.6","113.15","","113.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","NiBr","","- C47 H75 Br2 Li N4 Ni O2 Si -","- C47 H75 Br2 Li N4 Ni O2 Si -","- C188 H300 Br8 Li4 N16 Ni4 O8 Si4 -","4","1","","Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming","Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand","Chemical Communications","2022","","","","","10.1039/D2CC05472H","","","0.71073","MoKα","","0.1135","0.06","","","0.1318","0.1534","","","","","","1","","","","has coordinates","279471","2022-11-22","22:56:36",""
"7131018","24.045","0.002","12.0991","0.0016","15.7064","0.0015","90","","100.38","0.009","90","","4494.6","0.8","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 N5 Ni Si -","- C48 H65 N5 Ni Si -","- C192 H260 N20 Ni4 Si4 -","4","1","","Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming","Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand","Chemical Communications","2022","","","","","10.1039/D2CC05472H","","x-ray","0.71073","MoKα","","0.1788","0.1081","","","0.2358","0.2783","","","","","","1.047","","","","has coordinates","279471","2022-11-22","22:56:40",""
"7131019","11.4166","0.0003","12.108","0.0005","16.0882","0.0006","73.179","0.003","73.148","0.003","67.295","0.003","1923.38","0.13","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H57 Li N4 Ni O Si -","- C40 H57 Li N4 Ni O Si -","- C80 H114 Li2 N8 Ni2 O2 Si2 -","2","1","","Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming","Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand","Chemical Communications","2022","","","","","10.1039/D2CC05472H","","x-ray","0.71073","MoKα","","0.1135","0.0701","","","0.1832","0.2131","","","","","","1.015","","","","has coordinates,has disorder","279471","2022-11-22","22:56:40",""
"7131020","15.2773","0.0009","16.5998","0.0008","18.2805","0.001","103.515","0.005","111.529","0.005","96.493","0.004","4090.5","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C9.11 H12.67 N1.11 Ni0.22 O0.11 Si0.22 -","- C8.66667 H12.4444 N1.11111 Ni0.222222 Si0.222222 -","- C156 H224 N20 Ni4 Si4 -","18","9","","Hu , Chaopeng; Ding, Yazhou; Bai, Yunping; Guo, Lulu; Cui, Chunming","Synthesis and reactivity of a -1,2-dinitrogen dinickel(II) complex with C-H activated silaamidinate pincer ligand","Chemical Communications","2022","","","","","10.1039/D2CC05472H","","","0.71073","MoKα","","0.1312","0.0682","","","0.1355","0.1615","","","","","","1.005","","","","has coordinates","279471","2022-11-22","22:56:40",""
"7131021","19.087","0.005","34.674","0.005","12.113","0.002","90","","105.6","0.02","90","","7721","3","180","2","180","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C65 H72 Co N2 O4 -","- C65 H72 Co N2 O4 -","- C260 H288 Co4 N8 O16 -","4","0.5","","Liu, Wen-Ting; Hu, Jie-Sheng; Yu, Meng; Xue, Jin-Peng; Liu, Zhi-Kun; Wang, Jia-Ping; Tao, Jun","Synergistic valence tautomerism and fluorescence emission in a two-dimensional coordination polymer","Chemical Communications","2022","","","","","10.1039/D2CC05883A","","","1.54178","CuKα","","0.0752","0.0639","","","0.1904","0.1984","","","","","","1.081","","","","has coordinates,has disorder","279472","2022-11-22","22:57:39",""
"7131022","19.571","0.002","34.924","0.004","12.1538","0.0012","90","","107.312","0.004","90","","7930.8","1.5","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51 H56 Co N2 O4 -","- C51 H56 Co N2 O4 -","- C204 H224 Co4 N8 O16 -","4","0.5","","Liu, Wen-Ting; Hu, Jie-Sheng; Yu, Meng; Xue, Jin-Peng; Liu, Zhi-Kun; Wang, Jia-Ping; Tao, Jun","Synergistic valence tautomerism and fluorescence emission in a two-dimensional coordination polymer","Chemical Communications","2022","","","","","10.1039/D2CC05883A","","","0.71073","MoKα","","0.1206","0.1081","","","0.2888","0.2966","","","","","","1.118","","","","has coordinates","279472","2022-11-22","22:57:39",""
"7131023","8.0162","0.0004","7.6603","0.0006","25.2391","0.0019","90","","90.158","0.005","90","","1549.84","0.19","297.7","1","297.7","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 -","- C48 H28 -","- C96 H56 -","2","0.5","","Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori","Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05434e","","x-ray","0.71073","MoKα","","0.0962","0.0525","","","0.1189","0.1316","","","","","","0.957","","","","has coordinates","279473","2022-11-22","22:58:34",""
"7131024","11.482","0.0003","17.1596","0.0004","16.1811","0.0003","90","","90","","90","","3188.11","0.13","296.34","0.1","296.34","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C176 H112 O16 -","8","1","","Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori","Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05434e","","x-ray","0.71073","MoKα","","0.0546","0.0425","","","0.1213","0.1292","","","","","","1.082","","","","has coordinates","279473","2022-11-22","22:58:35",""
"7131025","26.2153","0.0005","8.2064","0.0002","35.0479","0.0007","90","","108.593","0.002","90","","7146.4","0.3","149.99","0.11","149.99","0.11","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H34 Cl2 -","- C49 H34 Cl2 -","- C392 H272 Cl16 -","8","1","","Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori","Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05434e","","x-ray","0.71073","MoKα","","0.09","0.0679","","","0.1521","0.1615","","","","","","1.075","","","","has coordinates,has disorder","279473","2022-11-22","22:58:35",""
"7131028","5.3986","0.0008","11.9982","0.0017","18.382","0.003","104.537","0.006","91.863","0.006","98.368","0.005","1137.3","0.3","290","","290","","","","","","","","","4","P -1","-P 1","2","","Allylated","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Khot, Nandkishor Prakash; Deo, Nitish Kumar; Kapur, Manmohan","A Switch to Vinylogous Reactivity of Vinyl Diazo Esters for the C-H Allylation of Benzamides by Merging Cobalt and Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D2CC05332B","","","0.71073","MoKα","","0.091","0.0538","","","0.1303","0.1558","","","","","","1.029","","","","has coordinates","279570","2022-11-25","22:54:33",""
"7131029","12.7442","0.0006","10.7342","0.0005","9.7366","0.0004","90","","90","","90","","1331.96","0.1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0776","0.069","","","0.1529","0.1581","","","","2.36","2.36","2.25","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131030","12.8959","0.0008","10.7975","0.0006","9.8301","0.0006","90","","90","","90","","1368.78","0.14","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1173","0.099","","","0.2051","0.2199","","","","2.8","2.8","2.58","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131031","12.9023","0.0008","10.7957","0.0006","9.8304","0.0006","90","","90","","90","","1369.27","0.14","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1046","0.0897","","","0.1898","0.2032","","","","2.9","2.9","2.76","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131032","12.8539","0.0007","10.7924","0.0005","9.8369","0.0006","90","","90","","90","","1364.62","0.13","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.1037","0.0923","","","0.1956","0.2002","","","","2.82","2.82","2.61","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131033","12.8611","0.0007","10.7902","0.0006","9.8361","0.0006","90","","90","","90","","1364.99","0.13","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0978","0.0842","","","0.1833","0.1931","","","","2.89","2.89","2.7","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131034","12.8116","0.0011","10.7825","0.0009","9.8623","0.001","90","","90","","90","","1362.4","0.2","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H19 Co N6 O6 -","- C7 H19 Co N6 O6 -","- C28 H76 Co4 N24 O24 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/D2CC05134F","","x-ray","1.54184","CuKα","","0.0842","0.0742","","","0.176","0.1805","","","","3.33","3.33","3.1","","","","has coordinates","282621","2023-04-13","12:20:31",""
"7131035","18.707","0.003","17.219","0.003","14.288","0.003","90","","121.068","0.007","90","","3942.2","1.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","210610_FAK_KRD452","","","- C40 H46 Ag B F4 N4 -","- C40 H46 Ag B F4 N4 -","- C160 H184 Ag4 B4 F16 N16 -","4","1","","Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.","An optically reversible room-temperature solid-state cobalt(<scp>iii</scp>) photoswitch based on nitro-to-nitrito linkage isomerism","Chemical Communications","2022","58","97","13439","13442","10.1039/d2cc05134f","","x-ray","0.71073","MoKα","","0.0813","0.0652","","","0.1458","0.1535","","","","","","1.197","","","","has coordinates","282069","2023-03-26","10:37:34",""
"7131036","10.528","0.003","12.446","0.004","16.138","0.005","81.066","0.014","71.006","0.011","78.919","0.01","1952.4","1","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C39.71 H51.76 B11 I0.05 N O2 -","- C39.7066 H51.7555 B11 I0.0489 N O2 -","- C79.4132 H103.511 B22 I0.0978 N2 O4 -","2","1","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","","0.71073","MoKα","","0.0493","0.0458","","","0.1134","0.1162","","","","","","1.057","","","","has coordinates,has disorder","283023","2023-05-05","00:03:41",""
"7131037","11.455","0.002","12.268","0.002","17.83","0.003","92.876","0.006","96.299","0.006","106.337","0.006","2381.3","0.7","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H50 B11 Br5 N O2.5 -","- C41.5 H50 B11 Br5 N O2.5 -","- C83 H100 B22 Br10 N2 O5 -","2","1","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","x-ray","0.71073","MoKα","K-L~3~","0.0952","0.0701","","","0.1957","0.2141","","","","","","1.034","","","","has coordinates,has disorder","283023","2023-05-05","00:03:42",""
"7131038","10.777","0.0009","16.0486","0.0013","16.0708","0.0011","100.693","0.003","90.559","0.003","101.575","0.003","2672.5","0.4","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 B11 N7 O2 -","- C52 H60 B11 N7 O2 -","- C104 H120 B22 N14 O4 -","2","1","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","","0.71073","MoKα","","0.1177","0.0595","","","0.1326","0.1629","","","","","","1.026","","","","has coordinates,has disorder","283023","2023-05-05","00:03:42",""
"7131039","12.7612","0.0003","14.7509","0.0003","16.4625","0.0004","67.077","0.001","74.749","0.001","69.03","0.001","2637.44","0.11","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C45.51 H58.03 B11 Br5 N O3.84 -","- C45.508 H58.016 B11 Br5 N O3.836 -","- C91.016 H116.032 B22 Br10 N2 O7.672 -","2","1","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","x-ray","0.71073","MoKα","K-L~3~","0.0654","0.0513","","","0.122","0.1298","","","","","","1.037","","","","has coordinates,has disorder","283023","2023-05-05","00:03:42",""
"7131040","23.9942","0.0006","33.9029","0.001","21.939","0.0007","90","","90","","90","","17846.8","0.9","170","2","170.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C720 H992 B176 N16 O32 -","16","4","","Jin, Yujie; Sun, Jizeng; Zhang, Kang; Liu, Jiyong; Wörle, Michael; Duttwyler, Simon","Palladium-catalyzed B7-11 penta-arylation of the {CB<sub>11</sub>} monocarborane cluster.","Chemical communications (Cambridge, England)","2022","59","1","67","70","10.1039/d2cc05422a","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0565","","","0.1292","0.1487","","","","","","1.012","","","","has coordinates,has disorder","283023","2023-05-05","00:03:42",""
"7131041","12.9068","0.0003","14.7144","0.0003","16.166","0.0004","71.467","0.002","69.769","0.002","79.6845","0.0019","2723.11","0.12","170","0.1","170","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C63 H60 Cl6 -","- C63 H60 Cl6 -","- C126 H120 Cl12 -","2","1","","Du, Xu-Sheng; Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Inherently chiral belt-shaped conjugated macrocycles with strong fluorescence and circularly polarized luminescence.","Chemical communications (Cambridge, England)","2022","59","2","227","230","10.1039/d2cc05504j","","x-ray","1.54184","CuKα","","0.1033","0.1003","","","0.3483","0.3549","","","","","","1.722","","","","has coordinates,has disorder","283032","2023-05-05","00:08:17",""
"7131042","13.6999","0.0002","27.5753","0.0004","14.7599","0.0002","90","","117.155","0.002","90","","4961.37","0.15","169.99","0.11","169.99","0.11","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cl6 -","- C57 H48 Cl6 -","- C228 H192 Cl24 -","4","1","","Du, Xu-Sheng; Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Inherently chiral belt-shaped conjugated macrocycles with strong fluorescence and circularly polarized luminescence.","Chemical communications (Cambridge, England)","2022","59","2","227","230","10.1039/d2cc05504j","","x-ray","1.54184","CuKα","","0.1564","0.151","","","0.43","0.4451","","","","","","2.244","","","","has coordinates,has disorder","283032","2023-05-05","00:08:17",""
"7131048","6.5383","0.0002","18.4779","0.0005","11.2222","0.0004","90","","95.448","0.001","90","","1349.68","0.07","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Br2 O4 -","- C11 H14 Br2 O4 -","- C44 H56 Br8 O16 -","4","1","","Ma, Ruize; Chen, Yang; Fang, Songjia; Jiang, Huanfeng; Yang, Shaorong; Wu, Wanqing","Palladium-catalyzed acetalization/cyclization of enynones with alcohols: rapid access to functionalized dihaloalkenyl dihydrofurans.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc03949d","","","0.71073","MoKα","","0.0387","0.0259","","","0.0553","0.0608","","","","","","0.999","","","","has coordinates","279628","2022-11-29","22:54:18",""
"7131049","32.114","0.01","17.231","0.004","21.376","0.006","90","","96.38","0.013","90","","11755","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C119 H44 F49.21 O5 S15 -","- C119 H44 F49.21 O5 S15 -","- C476 H176 F196.84 O20 S60 -","4","0.5","","Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G.","Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05637b","","","0.71073","MoKα","","0.1473","0.0993","","","0.2625","0.3331","","","","","","1.043","","","","has coordinates,has disorder","279629","2022-11-29","22:55:54",""
"7131050","10.7591","0.0005","17.488","0.0009","17.8046","0.0007","63.54","0.001","83.089","0.002","85.48","0.002","2976.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C134 H44 F50 S10 -","- C134 H44 F50 S10 -","- C134 H44 F50 S10 -","1","0.5","","Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G.","Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05637b","","","0.71073","MoKα","","0.1767","0.0706","","","0.0656","0.0754","","","","","","1.265","","","","has coordinates","279629","2022-11-29","22:55:59",""
"7131051","13.852","0.004","15.004","0.005","18.787","0.006","81.29","0.008","69.677","0.008","70.253","0.008","3443.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H36 Cl20 F50 S10 Sb2 -","- C118 H36 Cl20 F50 S10 Sb2 -","- C118 H36 Cl20 F50 S10 Sb2 -","1","0.5","","Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G.","Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05637b","","","0.71073","MoKα","","0.1083","0.0561","","","0.1161","0.1415","","","","","","1.061","","","","has coordinates","279629","2022-11-29","22:56:00",""
"7131052","22.655","0.003","31.011","0.004","33.67","0.004","90","","109.552","0.003","90","","22291","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H23 F50 N S10 -","- C110 H20 F50 S10 -","- C880 H160 F400 S80 -","8","2","","Udaya, Hosahalli S.; Basavarajappa, Ashokkumar; Gopalakrishna, Tullimilli Y.; Anand, Venkataramanarao G.","Topoisomers and aromaticity of a redox active 50π core-modified isophlorinoid.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05637b","","","0.71073","MoKα","","0.2194","0.1213","","","0.3069","0.3842","","","","","","1.016","","","","has coordinates","279629","2022-11-29","22:56:00",""
"7131053","10.1699","0.0003","10.9182","0.0003","22.3255","0.0007","76.19","0.001","83.818","0.001","75.044","0.001","2322.94","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 N2 O4 S -","- C24 H22 F4 N2 O4 S -","- C96 H88 F16 N8 O16 S4 -","4","2","","Ren, LinLin; Wang, Yonggong; Huo, Yanman; Tong, Xiaogang; Xia, Chengfeng","Direct synthesis of C3-alkynyl pyrroloindolines from tryptamines <i>via</i> a visible-light-induced radical cascade reaction.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05905c","","","1.54178","CuKα","","0.0647","0.0503","","","0.1467","0.1632","","","","","","1.492","","","","has coordinates","279652","2022-11-30","22:54:37",""
"7131054","15.7955","0.0001","7.5935","0.0001","15.8555","0.0001","90","","91.397","0.001","90","","1901.19","0.03","299.7","0.3","299.7","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl N O2 Rh -","- C22 H23 Cl N O2 Rh -","- C88 H92 Cl4 N4 O8 Rh4 -","4","1","","Biswal, Pragati; Nanda, Tanmayee; Banjare, Shyam Kumar; Mohanty, Smruti Ranjan; Mishra, Ranjit; Ravikumar, Ponneri C.","<i>N</i>-Allylbenzimidazole as a strategic surrogate in Rh-catalyzed stereoselective <i>trans</i>-propenylation of aryl C(sp<sup>2</sup>)-H bond.","Chemical communications (Cambridge, England)","2022","59","2","199","202","10.1039/d2cc06048e","","x-ray","1.54184","CuKα","","0.0251","0.0243","","","0.0644","0.0647","","","","","","1.102","","","","has coordinates","283030","2023-05-05","00:07:54",""
"7131055","9.4208","0.0003","10.0653","0.0003","10.3448","0.0003","65.854","0.003","83.509","0.003","69.754","0.003","839.33","0.05","299.7","0.5","299.8","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Cl N4 -","- C18 H19 Cl N4 -","- C36 H38 Cl2 N8 -","2","1","","Biswal, Pragati; Nanda, Tanmayee; Banjare, Shyam Kumar; Mohanty, Smruti Ranjan; Mishra, Ranjit; Ravikumar, Ponneri C.","<i>N</i>-Allylbenzimidazole as a strategic surrogate in Rh-catalyzed stereoselective <i>trans</i>-propenylation of aryl C(sp<sup>2</sup>)-H bond.","Chemical communications (Cambridge, England)","2022","59","2","199","202","10.1039/d2cc06048e","","","1.54184","CuKα","","0.0541","0.0483","","","0.1428","0.1479","","","","","","1.0307","","","","has coordinates","283030","2023-05-05","00:07:54",""
"7131056","9.1268","0.0008","8.0238","0.0007","26.1099","0.0014","90","","89.96","0.006","90","","1912.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O4 -","- C25 H19 N O4 -","- C100 H76 N4 O16 -","4","1","","Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen","AIE-active aurones for circularly polarized luminescence and trace water detection.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05399c","","","1.54184","CuKα","","0.0832","0.0622","","","0.1746","0.1964","","","","","","1.144","","","","has coordinates","279654","2022-11-30","22:55:49",""
"7131057","3.855","0.0004","6.9039","0.0007","11.2145","0.0011","91.025","0.002","93.364","0.003","96.825","0.004","295.75","0.05","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C15 H9 N O4 -","1","1","","Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen","AIE-active aurones for circularly polarized luminescence and trace water detection.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc05399c","","","0.71073","MoKα","","0.0961","0.0885","","","0.2224","0.2301","","","","","","1.081","","","","has coordinates","279654","2022-11-30","22:55:49",""
"7131058","6.9611","0.0005","16.1581","0.0011","12.5919","0.0009","90","","90","","90","","1416.31","0.17","293","2","293.15","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H14 B2 Na2 O14 -","- C4 H14 B2 Na2 O14 -","- C16 H56 B8 Na8 O56 -","4","0.5","","Yan, Dong; Ma, Yao; Huang, Hongbo; Zhang, Bingbing; Tang, Ru-Ling; Hu, Liang; Mao, Fei-Fei; Zheng, Jie; Zhang, Xiu-Du; Li, Shu-Fang","Na<sub>2</sub>(C<sub>4</sub>O<sub>4</sub>)(H<sub>3</sub>BO<sub>3</sub>)(H<sub>2</sub>O)<sub>4</sub>·H<sub>3</sub>BO<sub>3</sub>: the first borate-squarate with strong SHG response obtained by superior synergy.","Chemical communications (Cambridge, England)","2022","59","2","219","222","10.1039/d2cc05307a","","","0.71073","MoKα","","0.0286","0.0268","","","0.0734","0.0744","","","","","","1.049","","","","has coordinates","281333","2023-03-04","17:44:16",""
"7131064","14.4485","0.0003","22.5228","0.0004","18.5406","0.0004","90","","96.0323","0.0018","90","","6000.1","0.2","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu16O4(OH)4(OEt)8(piv)12(H2O)","","- C81 H180 Cu16 O41 -","- C81 H180 Cu16 O41 -","- C162 H360 Cu32 O82 -","2","0.5","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.54184","CuKα","","0.0796","0.0652","","0.1797","0.1684","0.1797","","","","","","1.0068","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131065","11.5793","0.0001","11.9448","0.0001","14.6338","0.0001","99.4804","0.0008","110.815","0.0008","105.828","0.0008","1741.46","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H54 Cu2 O11 -","- C26 H54 Cu2 O11 -","- C52 H108 Cu4 O22 -","2","1","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.54184","CuKα","","0.0535","0.0498","","0.1292","0.1263","0.1292","","","","","","1.0098","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131066","19.2171","0.0006","19.0958","0.0006","26.9688","0.0008","90","","90.3848","0.0017","90","","9896.4","0.5","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cu31O12(OH)18(O2CtBu)18(NO3)2(iPrOH)6.6(iPrOH)","","- C126 H276 Cu31 N2 O84 -","- C126 H276 Cu31 N2 O84 -","- C252 H552 Cu62 N4 O168 -","2","0.5","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.5418","CuKα","","0.1166","0.0894","","0.2273","0.2112","0.2273","","","","","","1.0072","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131067","14.5798","0.0001","15.1333","0.0001","28.5685","0.0002","90","","102.21","0.0008","90","","6160.79","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu6(OEt)6(O2CtBu)6.toluene","","- C49 H92 Cu6 O18 -","- C49 H92 Cu6 O18 -","- C196 H368 Cu24 O72 -","4","1","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.54184","CuKα","","0.0341","0.031","","0.0911","0.0892","0.0911","","","","","","1.0086","","","","has coordinates","281317","2023-03-04","17:39:25",""
"7131068","19.411","0.0001","21.3221","0.0001","28.2158","0.0001","90","","92.1343","0.0005","90","","11670","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H180 Cu15.5 N O45 -","- C90 H180 Cu15.5 N O45 -","- C360 H720 Cu62 N4 O180 -","4","1","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.54184","CuKα","","0.0473","0.0427","","0.1265","0.1226","0.1265","","","","","","0.9969","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131069","19.3503","0.0001","33.6673","0.0003","21.1824","0.0002","90","","95.7608","0.0007","90","","13730","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cu17O5(OH)6(OiPr)6(O2CtBu)10(NO3)2Â.([NEt3H][NO3])2","","- C320 H680 Cu68 N24 O196 -","- C320.001 H680.003 Cu68 N24 O196 -","- C320.001 H680.003 Cu68 N24 O196 -","1","0.25","","Barnes, Thomas J.; Payne, Jack; Pike, Sebastian D.","Synthesis of a nanoscale Cu(II)<sub>31</sub>-oxo-carboxylate cluster, and effect of Cu-oxo cluster size on visible-light absorption.","Chemical communications (Cambridge, England)","2022","59","1","59","62","10.1039/d2cc05478g","","","1.5418","CuKα","","0.0618","0.0552","","0.1611","0.1549","0.1611","","","","","","1","","","","has coordinates,has disorder","281317","2023-03-04","17:39:25",""
"7131072","19.2588","0.0012","21.0194","0.0013","23.1335","0.0014","90","","90","","90","","9364.6","1","170","2","170","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C135 H111 F21 N32 O29 S11 Zn4 -","- C135 H111 F21 N32 O29 S11 Zn4 -","- C270 H222 F42 N64 O58 S22 Zn8 -","2","0.5","","Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying","Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.","Chemical communications (Cambridge, England)","2022","59","1","71","74","10.1039/d2cc04530c","","","0.71073","MoKα","","0.0634","0.0484","","","0.1357","0.1438","","","","","","1.023","","","","has coordinates,has disorder","281316","2023-03-04","17:38:38",""
"7131073","29.073","0.003","22.669","0.002","28.741","0.003","90","","90","","90","","18942","3","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C120 H104 B7 F28 N28 Ni4 O10.5 S4 -","- C120 H98 B7 F28 N28 Ni4 O10.5 S4 -","- C480 H392 B28 F112 N112 Ni16 O42 S16 -","4","0.5","","Wei, Jianwei; Zhao, Liang; Zhang, Yu; Zhou, Peng; Liu, Guangzhou; Duan, Chunying","Light-switched selective catalysis with NADH mimic functionalized metal-organic capsules.","Chemical communications (Cambridge, England)","2022","59","1","71","74","10.1039/d2cc04530c","","","0.71073","MoKα","","0.2262","0.0894","","","0.2124","0.2427","","","","","","1.05","","","","has coordinates,has disorder","281316","2023-03-04","17:38:38",""
"7131076","10.3324","0.0008","10.1087","0.0006","13.8942","0.001","90","","109.438","0.003","90","","1368.49","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Kim, Gyeong Un; Cho, Hyunmi; Lee, Jae Kyun; Lee, Jae Yeol; Tae, Jinsung; Min, Sun-Joon; Kang, Taek; Cho, Yong Seo","Stereoselective synthesis of 1,6-diazecanes by a tandem aza-Prins type dimerization and cyclization process.","Chemical communications (Cambridge, England)","2022","59","1","82","85","10.1039/d2cc05133h","","","0.71075","MoKα","","0.0698","0.04","","","0.1188","0.1359","","","","","","1.145","","","","has coordinates","281318","2023-03-04","17:39:39",""
"7131077","18.6366","0.0008","12.5881","0.0008","10.2431","0.0005","90","","94.9576","0.0012","90","","2394","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O3 S -","- C27 H28 N2 O3 S -","- C108 H112 N8 O12 S4 -","4","1","","Kim, Gyeong Un; Cho, Hyunmi; Lee, Jae Kyun; Lee, Jae Yeol; Tae, Jinsung; Min, Sun-Joon; Kang, Taek; Cho, Yong Seo","Stereoselective synthesis of 1,6-diazecanes by a tandem aza-Prins type dimerization and cyclization process.","Chemical communications (Cambridge, England)","2022","59","1","82","85","10.1039/d2cc05133h","","","0.71075","MoKα","","0.068","0.0421","","","0.1087","0.1229","","","","","","1.098","","","","has coordinates","281318","2023-03-04","17:39:39",""
"7131078","7.1626","0.0014","17.647","0.004","7.7716","0.0016","90","","102.13","0.03","90","","960.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C48 H44 N4 O4 -","2","0.5","","Kim, Gyeong Un; Cho, Hyunmi; Lee, Jae Kyun; Lee, Jae Yeol; Tae, Jinsung; Min, Sun-Joon; Kang, Taek; Cho, Yong Seo","Stereoselective synthesis of 1,6-diazecanes by a tandem aza-Prins type dimerization and cyclization process.","Chemical communications (Cambridge, England)","2022","59","1","82","85","10.1039/d2cc05133h","","","0.71073","MoKα","","0.0819","0.0474","","","0.1227","0.1448","","","","","","1.076","","","","has coordinates","281318","2023-03-04","17:39:39",""
"7131096","9.9928","0.0005","17.2209","0.0006","13.4103","0.0005","90","","105.451","0.004","90","","2224.31","0.16","114.85","0.1","114.85","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1H-isothiochromene","Dimethyl 1-(diphenylphosphoryl)-1H-isothiochromene-3,4-dicarboxylate","","- C25 H21 O5 P S -","- C25 H21 O5 P S -","- C100 H84 O20 P4 S4 -","4","1","","Sun, Simin; Wei, Yuliang; Xu, Jiaxi","Microwave-mediated stereocontrolled annulations of diazo(aryl)methyl(diaryl)phosphine oxides with pyridinium 1,4-zwitterionic thiolates.","Chemical communications (Cambridge, England)","2022","59","2","239","242","10.1039/d2cc05483c","","x-ray","0.71073","MoKα","","0.0684","0.0458","","","0.0935","0.1054","","","","","","1.048","","","","has coordinates","283031","2023-05-05","00:08:03",""
"7131097","38.4079","0.0016","10.3454","0.0005","7.9044","0.0004","90","","90","","90","","3140.8","0.3","112.85","0.1","112.85","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","indolizine","Dimethyl 5-methyl-1-phenylindolizine-2,3-dicarboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Sun, Simin; Wei, Yuliang; Xu, Jiaxi","Microwave-mediated stereocontrolled annulations of diazo(aryl)methyl(diaryl)phosphine oxides with pyridinium 1,4-zwitterionic thiolates.","Chemical communications (Cambridge, England)","2022","59","2","239","242","10.1039/d2cc05483c","","x-ray","0.71073","MoKα","","0.0676","0.0496","","","0.1021","0.1135","","","","","","1.084","","","","has coordinates","283031","2023-05-05","00:08:03",""
"7158397","5.4744","0.0003","17.602","0.0011","21.4574","0.0014","90","","90","","90","","2067.6","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F2 O7 S2 -","- C20 H18 F2 O7 S2 -","- C80 H72 F8 O28 S8 -","4","1","","Guinan, Mieke; Huang, Ningwu; Hawes, Chris S.; Lima, Marcelo A.; Smith, Mark; Miller, Gavin J.","Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues.","Organic & biomolecular chemistry","2022","20","7","1401","1406","10.1039/d1ob02097h","","","0.71073","MoKα","","0.0753","0.062","","","0.1354","0.1412","","","","","","1.179","","","","has coordinates,has disorder","273424","2022-03-04","22:24:30",""
"7158425","9.185","0.007","12.053","0.009","19.519","0.014","76.378","0.012","89.717","0.012","89.993","0.013","2100","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H54 S4 -","- C50 H54 S4 -","- C100 H108 S8 -","2","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.214","0.1047","","","0.208","0.2547","","","","","","1.033","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158426","6.4871","0.0013","7.1989","0.0015","17.9","0.004","92.211","0.008","97.288","0.008","102.06","0.007","809","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","- C38 H14 Cl4 N4 O4 -","1","0.5","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0428","0.0327","","","0.0816","0.0877","","","","","","1.074","","","","has coordinates,has disorder","272771","2022-02-04","20:02:24",""
"7158427","11.8779","0.0006","14.0953","0.0007","16.4691","0.0007","90","","90","","90","","2757.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 S2 -","- C36 H34 S2 -","- C144 H136 S8 -","4","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0337","0.0335","","","0.09","0.0901","","","","","","1.108","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158434","8.9944","0.0019","10.698","0.002","11.488","0.002","116.186","0.006","111.602","0.006","90.504","0.007","902.6","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.0874","0.0574","","","0.149","0.1727","","","","","","1.03","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158435","5.6344","0.0003","34.671","0.0019","8.8274","0.0005","90","","92.1715","0.0018","90","","1723.2","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","","Kolla, Sai Teja; Rayala, Nageswara Rao; Sridhar, Balasubramanian; Bhimapaka, China Raju","Unexpected ring opening of pyrazolines with activated alkynes: synthesis of 1<i>H</i>-pyrazole-4,5-dicarboxylates and chromenopyrazolecarboxylates.","Organic & biomolecular chemistry","2022","20","2","334","338","10.1039/d1ob01727f","","","0.71073","MoKα","","0.057","0.0433","","","0.1049","0.112","","","","","","1.11","","","","has coordinates","272769","2022-02-04","20:02:13",""
"7158436","7.2949","0.0002","11.9167","0.0002","14.4321","0.0003","90","","90","","90","","1254.6","0.05","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 O2 -","- C30 H30 N6 O2 -","- C60 H60 N12 O4 -","2","0.5","","Goud, S. Banuprakash; Guin, Soumitra; Prakash, Meher; Samanta, Sampak","Cu(OAc)<sub>2</sub>/DABCO-mediated domino reaction of vinyl malononitriles with cyclic sulfamidate imines: access to 6-hydroxyaryl-2-aminonicotinonitriles.","Organic & biomolecular chemistry","2022","20","2","352","357","10.1039/d1ob02095a","","","0.71073","MoKα","","0.0393","0.0367","","","0.1136","0.1183","","","","","","0.998","","","","has coordinates","272772","2022-02-04","20:02:29",""
"7158437","11.6459","0.0006","18.2738","0.0009","8.8614","0.0005","90","","98.757","0.002","90","","1863.85","0.17","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Jiang, Jinyuan; Liu, Jidan; Yang, Zhenke; Zheng, Jieying; Tian, Xin; Zheng, Liyao; Liu, Zhao-Qing","Rhodium(III)-catalyzed oxidative annulation of isoquinolones with allyl alcohols: synthesis of isoindolo[2,1-<i>b</i>]isoquinolin-5(7<i>H</i>)-ones.","Organic & biomolecular chemistry","2022","20","2","339","344","10.1039/d1ob02305e","","","0.71073","MoKα","","0.0978","0.0516","","","0.1109","0.1464","","","","","","1.062","","","","has coordinates","272770","2022-02-04","20:02:17",""
"7158438","8.37408","0.00012","26.0423","0.0003","13.33213","0.00018","90","","94.8115","0.0014","90","","2897.23","0.07","112.65","0.1","112.65","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H28 N2 O9 -","- C37 H28 N2 O9 -","- C148 H112 N8 O36 -","4","2","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.041","0.0392","","","0.0956","0.0977","","","","","","1.022","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158439","11.6413","0.0001","12.8726","0.0001","25.5684","0.0004","90","","90","","90","","3831.52","0.07","293","2","294.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C168 H160 Cl8 N8 O48 -","8","1","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.0582","0.0453","","","0.1057","0.1225","","","","","","1.195","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7158440","10.291","0.0009","19.2325","0.0017","8.6155","0.0007","90","","113.623","0.004","90","","1562.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Wang, Huai-Wei; Wu, Jia-Xue; Li, Da-Cheng; Qiao, Yu-Han; Yao, Qing-Xia; Sun, Wen-Can; Dou, Jian-Min","The synthesis of aryl-heteroaryl derivatives <i>via</i> the Rh<sup>III</sup>-catalyzed heteroarylation of arenes and heteroaromatic boronates.","Organic & biomolecular chemistry","2022","20","3","686","693","10.1039/d1ob02201f","","","0.71073","MoKα","","0.0857","0.0534","","","0.1284","0.143","","","","","","1.052","","","","has coordinates","272776","2022-02-04","20:02:52",""
"7158441","8.5191","0.0002","10.3297","0.0002","18.8853","0.0004","90","","96.6638","0.0008","90","","1650.67","0.06","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 S -","- C19 H15 N3 O2 S -","- C76 H60 N12 O8 S4 -","4","1","","Aggarwal, Ranjana; Hooda, Mona; Kumar, Prince; Torralba, Mari Carmen","Visible-light-mediated regioselective synthesis of novel thiazolo[3,2-<i>b</i>][1,2,4]triazoles: advantageous synthetic application of aqueous conditions.","Organic & biomolecular chemistry","2022","20","3","584","595","10.1039/d1ob02194j","","","1.54178","CuKα","","0.0496","0.0468","","","0.1295","0.1324","","","","","","1.061","","","","has coordinates","272778","2022-02-04","20:03:06",""
"7158442","10.3376","0.0005","11.2041","0.0006","11.6795","0.0006","80.99","0.002","68.532","0.001","81.497","0.002","1237.33","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C58 H64 N6 O2 -","2","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.0802","0.0566","","","0.146","0.1649","","","","","","1.036","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158443","11.0143","0.0014","15.747","0.002","15.541","0.002","90","","104.578","0.004","90","","2608.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 N3 O -","- C29 H32 N3 O -","- C116 H128 N12 O4 -","4","1","","Rai, Vishakha; P, Kavyashree; Harmalkar, Sarvesh S.; Dhuri, Sundar N.; Maddani, Mahagundappa R.","1,6-Addition of 1,2,3-NH triazoles to <i>para</i>-quinone methides: Facile access to highly selective N<sup>1</sup> and N<sup>2</sup> substituted triazoles.","Organic & biomolecular chemistry","2022","20","2","345","351","10.1039/d1ob01717a","","","0.71073","MoKα","","0.1382","0.0598","","","0.1487","0.1957","","","","","","1.019","","","","has coordinates","272774","2022-02-04","20:02:42",""
"7158444","16.6926","0.0003","6.6723","0.0001","26.1236","0.0007","90","","99.22","0.002","90","","2872","0.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0368","0.034","","","0.0902","0.0921","","","","","","1.065","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158445","9.9698","0.0002","14.9389","0.0003","21.1714","0.0004","90","","91.459","0.002","90","","3152.2","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","","Zhang, Yuan; Liu, Zhiqi; Zhu, Tingyu; Huang, Ying; Fan, Weibin; Huang, Deguang","Synthesis of methylene-bridged α,β-unsaturated ketones: α-C<sub>sp<sup>3</sup></sub>-H methylenation of aromatic ketones using Selectfluor as a mild oxidant.","Organic & biomolecular chemistry","2022","20","2","415","419","10.1039/d1ob02043a","","","1.54184","CuKα","","0.0557","0.0409","","","0.1035","0.111","","","","","","1.059","","","","has coordinates","272773","2022-02-04","20:02:36",""
"7158446","12.5541","0.0007","6.665","0.0004","20.2899","0.0011","90","","103.002","0.006","90","","1654.19","0.17","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Br N O3 Se -","- C17 H14 Br N O3 Se -","- C68 H56 Br4 N4 O12 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0484","0.0333","","","0.0599","0.0659","","","","","","1.037","","","","has coordinates","272775","2022-02-04","20:02:47",""
"7158447","8.0638","0.0005","8.215","0.0007","24.112","0.002","90","","90","","90","","1597.3","0.2","100.01","0.11","100.01","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S2 Se -","- C15 H17 N O2 S2 Se -","- C60 H68 N4 O8 S8 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0588","0.0485","","","0.0876","0.0923","","","","","","1.066","","","","has coordinates,has disorder","272775","2022-02-04","20:02:48",""
"7158448","10.4753","0.0014","12.8737","0.0018","24.51","0.003","90","","90","","90","","3305.3","0.8","273.15","","273.15","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.0232","0.02","","","0.0484","0.0499","","","","","","1.063","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158449","12.0825","0.0008","6.2924","0.0004","15.8782","0.001","90","","90.701","0.004","90","","1207.1","0.13","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N2 O2 Si2 -","- C24 H30 N2 O2 Si2 -","- C48 H60 N4 O4 Si4 -","2","0.5","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.125","0.0537","","","0.1148","0.1466","","","","","","0.97","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158450","22.659","0.003","8.6862","0.0014","15.721","0.003","90","","121.417","0.009","90","","2640.6","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C128 H96 N32 O16 -","8","1","","Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing","COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction.","Organic & biomolecular chemistry","2022","20","3","678","685","10.1039/d1ob02157e","","","0.71073","MoKα","","0.1352","0.0945","","","0.2506","0.2786","","","","","","1.074","","","","has coordinates","272780","2022-02-04","20:03:30",""
"7158451","11.3198","0.0004","16.1408","0.0004","12.8871","0.0006","90","","112.596","0.0009","90","","2173.86","0.14","220","2","220","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H56 N4 O12 S2 -","- C38 H56 N4 O12 S2 -","- C76 H112 N8 O24 S4 -","2","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.71073","MoKα","","0.0597","0.038","","","0.0725","0.0796","","","","","","1.023","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158452","9.6129","0.0008","16.6129","0.0006","27.4345","0.0016","90","","90","","90","","4381.2","0.5","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl3 N6 O10 S -","- C36 H55 Cl3 N6 O10 S -","- C144 H220 Cl12 N24 O40 S4 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","1.54178","CuKα","","0.1044","0.0643","","","0.1405","0.1602","","","","","","1.034","","","","has coordinates,has disorder","272779","2022-02-04","20:03:24",""
"7158453","43.685","0.009","10.18","0.002","12.884","0.003","90","","103.5","0.03","90","","5571","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H73 N7 O9 -","- C48 H73 N7 O9 -","- C192 H292 N28 O36 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","0.7","synchrotron","","0.0483","0.0455","","","0.1252","0.1281","","","","","","1.036","","","","has coordinates","272779","2022-02-04","20:03:24",""
"7158454","12.2643","0.0009","7.5844","0.0006","21.7321","0.0016","90","","95.637","0.007","90","","2011.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrochromeno[4,3-b]pyrrole","dimethyl (E)-3-styryl-1,2,3,9b-tetrahydrochromeno[4,3-b]pyrrole-2,3a(4H)-dicarboxylate","","- C7 H0 N16 O6 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad; Agarwal, Vishal; Reddy, Tadiparthi Thirupathi; Sharada, Duddu S.","Azomethine ylide cycloaddition of 1,3-dienyl esters: highly regio- and diastereoselective synthesis of functionalized pyrrolidinochromenes.","Organic & biomolecular chemistry","2022","20","4","778","782","10.1039/d1ob02042k","","","0.7107","MoKα","","0.1011","0.0606","","","0.1565","0.1819","","","","","","1.07","","","","has coordinates","272760","2022-02-04","20:00:47",""
"7158455","9.6823","0.0004","10.4434","0.0004","11.6367","0.0005","82.076","0.004","78.416","0.004","65.109","0.004","1043.73","0.08","210","","210","","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2,3-bis(4-methoxyphenyl)benzo[de]chromene","","- C56 H46 O6 -","- C54 H44 O8 -","- C54 H44 O8 -","1","0.5","","Araujo Dias, Antônio Junio; Takahashi, Hiroto; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Oxidative [4 + 2] annulation of 1-naphthols with alkynes accelerated by an electron-deficient rhodium(III) catalysts.","Organic & biomolecular chemistry","2022","20","5","1008","1012","10.1039/d1ob02181h","","x-ray","0.71073","MoKα","","0.0594","0.0464","","","0.1312","0.1404","","","","","","1.062","","","","has coordinates","272754","2022-02-04","19:59:38",""
"7158456","9.1139","0.001","11.7059","0.0012","12.6851","0.0014","109.356","0.009","100.318","0.009","106.611","0.009","1166.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N O3.5 S2 -","- C25 H23 F3 N O3.5 S2 -","- C50 H46 F6 N2 O7 S4 -","2","1","","Santiago, Carlos; Jiménez-Aberasturi, Xabier; Leicea, Eztizen; Lete, Marta G.; Sotomayor, Nuria; Lete, Esther","Microwave-assisted palladium catalysed C-H acylation with aldehydes: synthesis and diversification of 3-acylthiophenes.","Organic & biomolecular chemistry","2022","20","4","852","861","10.1039/d1ob02176a","","x-ray","0.71073","MoKα","","0.1205","0.0679","","","0.1186","0.1502","","","","","","1.044","","","","has coordinates,has disorder","272764","2022-02-04","20:01:10",""
"7158457","8.4528","0.0003","10.0726","0.0004","11.6966","0.0006","77.56","0.004","75.781","0.003","68.597","0.002","890.01","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl N Si -","- C20 H20 Cl N Si -","- C40 H40 Cl2 N2 Si2 -","2","1","","Cembellín, Sara; Maisuls, Iván; Daniliuc, Constantin G.; Osthues, Helena; Doltsinis, Nikos L.; Strassert, Cristian A.; Glorius, Frank","One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical properties.","Organic & biomolecular chemistry","2022","20","4","796","800","10.1039/d1ob02246f","","","0.71073","MoKα","","0.0626","0.0523","","","0.1271","0.1353","","","","","","1.068","","","","has coordinates,has disorder","272767","2022-02-04","20:02:01",""
"7158458","9.7153","0.0009","14.2963","0.0012","24.322","0.002","90","","90","","90","","3378.2","0.5","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3R,3'R,4'S,5'S)-1,1''-Dibenzyl-7-bromo-4'-(3-methyl-4-nitroisoxazol-5-yl)-5'-(trifluoromethyl)dispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-2,2''-dione","","- C37 H27 Br F3 N5 O5 -","- C37 H27 Br F3 N5 O5 -","- C148 H108 Br4 F12 N20 O20 -","4","1","","Li, Tong-Hao; Du, Da-Ming","Asymmetric synthesis of isoxazole and trifluoromethyl-containing 3,2'-pyrrolidinyl dispirooxindoles <i>via</i> squaramide-catalysed [3 + 2] cycloaddition reactions.","Organic & biomolecular chemistry","2022","20","4","817","823","10.1039/d1ob02350k","","","1.34139","GaKα","","0.049","0.0417","","","0.1028","0.1078","","","","","","1.051","","","","has coordinates","272766","2022-02-04","20:01:56",""
"7158459","14.1584","0.0016","4.6034","0.0005","14.9562","0.0016","90","","113.249","0.005","90","","895.64","0.17","100","1","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0964","0.0851","","","0.2271","0.237","","","","","","1.064","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158460","4.5507","0.001","17.161","0.004","48.011","0.01","90","","90","","90","","3749.4","1.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C168 H176 O64 -","8","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0659","0.0461","","","0.0957","0.1113","","","","","","1.058","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158461","14.126","0.004","4.5761","0.0013","14.955","0.005","90","","113.28","0.012","90","","888","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0572","0.0435","","","0.105","0.1169","","","","","","1.097","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158462","8.5427","0.0004","15.2194","0.0008","14.1219","0.0007","90","","91.418","0.002","90","","1835.49","0.16","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0392","0.0351","","","0.0896","0.097","","","","","","1.094","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158463","4.5505","0.0002","17.1723","0.0008","48.042","0.002","90","","90","","90","","3754.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 O16 -","- C42 H44 O16 -","- C168 H176 O64 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0484","0.0394","","","0.0921","0.0981","","","","","","1.072","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158464","13.66489","0.00013","15.50084","0.00013","8.21733","0.00008","90","","102.58","0.0009","90","","1698.79","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C80 H80 O28 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0353","0.0332","","","0.0885","0.09","","","","","","1.061","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158465","8.6051","0.0004","14.1919","0.0006","15.2989","0.0006","90","","90","","90","","1868.34","0.14","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34139","GaKα","","0.0303","0.0292","","","0.078","0.0793","","","","","","1.048","","","","has coordinates,has disorder","272781","2022-02-04","20:03:42",""
"7158466","4.53147","0.0001","14.6487","0.0002","28.5217","0.0004","85.4988","0.0012","85.95","0.0014","88.2776","0.0015","1882.15","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","x-ray","1.54184","CuKα","","0.0634","0.0564","","","0.1549","0.1604","","","","","","1.065","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158467","14.793","0.003","17.86","0.003","26.56","0.005","90","","90","","90","","7017","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.8 H99.2 N12 O33.4 S6.2 -","- C48.7596 H99.0384 N12 O33.4796 S6.24 -","- C195.038 H396.154 N48 O133.918 S24.96 -","4","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.1557","0.0792","","","0.1533","0.185","","","","","","1.001","","","","has coordinates,has disorder","272757","2022-02-04","20:00:28",""
"7158468","12.441","0.002","12.772","0.002","20.693","0.004","75.36","0.02","79.83","0.02","89.7","0.02","3128.6","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H94 Cl8 N12 O9 -","- C48 H91.4 Cl8 N12 O8.96195 -","- C96 H182.8 Cl16 N24 O17.9239 -","2","2","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0657","0.0582","","","0.1547","0.1597","","","","","","1.036","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158469","13.082","0.002","13.444","0.002","20.564","0.003","105.35","0.02","108.36","0.02","93.77","0.02","3265.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H98.6 Cl8 N12 O11.3 -","- C48 H80 Cl8.001 N12 O11.347 -","- C96 H160 Cl16.002 N24 O22.694 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","x-ray","0.71073","MoKα","","0.0706","0.0608","","","0.1643","0.1702","","","","","","1.02","","","","has coordinates,has disorder","272757","2022-02-04","20:00:29",""
"7158470","12.815","0.003","14.444","0.003","16.933","0.005","92.83","0.02","101.95","0.02","90.36","0.02","3062.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H90 Cl8 N12 O4 -","- C51 H90 Cl8 N12 O4 -","- C102 H180 Cl16 N24 O8 -","2","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.0819","0.0562","","","0.1376","0.1536","","","","","","1.004","","","","has coordinates","272757","2022-02-04","20:00:29",""
"7158471","10.3951","0.0005","8.7516","0.0004","14.2044","0.0006","90","","95.671","0.001","90","","1285.9","0.1","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C56 H60 N4 O12 S4 -","4","1","","Chen, Lu; Wang, Zhichao; Wang, Yangyang; Hao, Liqiang; Xu, Xiaobo; Wu, Gaorong; Ji, Yafei","Rhodium(III)-catalyzed cascade C-H functionalization/annulation of sulfoximines with iodonium ylides for the synthesis of cyclohexanone-1,2-benzothiazines.","Organic & biomolecular chemistry","2022","20","4","887","894","10.1039/d1ob02110a","","","0.71073","MoKα","","0.0365","0.0336","","","0.0879","0.09","","","","","","1.071","","","","has coordinates","272762","2022-02-04","20:00:58",""
"7158472","10.28331","0.00011","15.03","0.0002","33.3759","0.0005","90","","90","","90","","5158.52","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 N2 O11 -","- C51 H78 N2 O11 -","- C204 H312 N8 O44 -","4","1","","Li, Bo; Wu, Jun; Tang, Lei; Lian, Xu; Li, Zhongwen; Duan, Wenfang; Qin, Tong; Zhao, Xintong; Hu, Yuhua; Zhang, Chi; Li, Tianlei; Hao, Jie; Zhang, Wenxuan; Zhang, Jihong; Wu, Song","Synthesis and anti-tumor activity evaluation of salinomycin C20-<i>O</i>-alkyl/benzyl oxime derivatives.","Organic & biomolecular chemistry","2022","20","4","870","876","10.1039/d1ob02292j","","x-ray","1.54184","CuKα","","0.037","0.0327","","","0.0834","0.0873","","","","","","1.032","","","","has coordinates","272768","2022-02-04","20:02:07",""
"7158473","9.198","0.005","10.355","0.007","12.174","0.007","69.365","0.016","76.44","0.02","64.56","0.02","975.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O4 Se -","- C20 H21 N O4 Se -","- C40 H42 N2 O8 Se2 -","2","1","","Haider, Victoria; Zebrowski, Paul; Michalke, Jessica; Monkowius, Uwe; Waser, Mario","Enantioselective organocatalytic syntheses of α-selenated α- and β-amino acid derivatives.","Organic & biomolecular chemistry","2022","20","4","824","830","10.1039/d1ob02235k","","x-ray","0.71073","MoKα","","0.0301","0.0265","","","0.071","0.0745","","","","","","1.215","","","","has coordinates","272765","2022-02-04","20:01:16",""
"7158474","22.3463","0.0008","7.5222","0.0003","22.4194","0.0011","90","","102.133","0.004","90","","3684.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C144 H232 N8 O8 Si8 -","8","1","","Xue, Yingying; Guo, Zhuangzhuang; Chen, Xiaoyu; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","Copper-Promoted Difunctionalization of Unactivated Alkenes with Silanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02318G","","","1.54184","CuKα","","0.0606","0.047","","","0.1276","0.1415","","","","","","1.037","","","","has coordinates","271807","2022-01-05","02:02:19",""
"7158475","11.493","0.004","14.034","0.006","14.667","0.006","90","","102.249","0.01","90","","2311.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 6-oxo-1-phenyl-3-(p-tolyl)-6H-pyrido[1,2-a]quinoline-5-carboxylate","","- C29 H23 N O3 -","- C29 H23 N O3 -","- C116 H92 N4 O12 -","4","1","","Gummidi, Lalitha; Muddassar, Altaf; Sharma, Gangavaram V. M.; Murugesh, V.; Suresh, Surisetti","Tandem aza-Michael addition-vinylogous aldol condensation: synthesis of <i>N</i>-bridged pyridine fused quinolones.","Organic & biomolecular chemistry","2022","20","4","773","777","10.1039/d1ob02087k","","","0.71073","MoKα","","0.1146","0.0541","","","0.1282","0.1627","","","","","","1.013","","","","has coordinates,has disorder","272761","2022-02-04","20:00:53",""
"7158476","9.8016","0.0002","10.2699","0.0002","18.6233","0.0004","90","","101.881","0.001","90","","1834.49","0.07","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","0.71073","MoKα","","0.0615","0.0492","","","0.1165","0.1239","","","","","","1.069","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158477","7.5089","0.0002","15.5665","0.0003","18.8172","0.0004","86.384","0.001","78.938","0.001","86.402","0.001","2151.44","0.08","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 S -","- C29 H22 N2 S -","- C116 H88 N8 S4 -","4","2","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.0826","0.0561","","","0.1316","0.1508","","","","","","1.031","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158478","7.0437","0.0002","9.699","0.0003","25.3194","0.0007","90","","93.25","0.002","90","","1726.96","0.09","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping","Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2022","20","4","847","851","10.1039/d1ob02248b","","","1.54178","CuKα","","0.056","0.0438","","","0.1049","0.1129","","","","","","1.067","","","","has coordinates","272763","2022-02-04","20:01:05",""
"7158479","5.3533","0.0004","16.8012","0.0008","17.7277","0.0012","90","","90","","90","","1594.46","0.18","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","","Mahato, Shreya; Rawal, Parveen; Devadkar, Ajitrao Kisan; Joshi, Mayank; Roy Choudhury, Angshuman; Biswas, Bhaskar; Gupta, Puneet; Panda, Tarun K.","Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(II)-catalyst.","Organic & biomolecular chemistry","2022","20","5","1103","1111","10.1039/d1ob02339j","","x-ray","0.71073","MoKα","","0.1902","0.0698","","","0.1318","0.1852","","","","","","0.971","","","","has coordinates","272756","2022-02-04","20:00:16",""
"7158480","9.8554","0.0002","15.7898","0.0004","26.9608","0.0006","90","","90","","90","","4195.5","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 S -","- C22 H36 O4 S -","- C176 H288 O32 S8 -","8","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","1.54178","CuKα","","0.0526","0.0489","","","0.1318","0.139","","","","","","1.062","","","","has coordinates","272755","2022-02-04","19:59:48",""
"7158481","7.2736","0.0009","19.217","0.002","19.825","0.002","90","","91.946","0.005","90","","2769.5","0.5","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 O4 S Si -","- C28 H42 O4 S Si -","- C112 H168 O16 S4 Si4 -","4","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0841","0.0711","","","0.1814","0.1919","","","","","","1.099","","","","has coordinates,has disorder","272755","2022-02-04","19:59:51",""
"7158482","9.9546","0.0009","11.138","0.0011","24.037","0.002","93.903","0.004","95.575","0.004","90.203","0.004","2646.2","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C25 H42 O4 S Si -","- C25 H42 O4 S Si -","- C100 H168 O16 S4 Si4 -","4","4","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","0.71073","MoKα","","0.0455","0.0428","","","0.0988","0.1002","","","","","","1.115","","","","has coordinates","272755","2022-02-04","20:00:02",""
"7158483","8.1439","0.001","9.6588","0.0008","11.584","0.0013","92.542","0.008","98.729","0.01","97.055","0.009","891.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-methyl-6-oxo-N,1-diphenyl-1,6-dihydropyridine-3-carboxamide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Xu, Lichun; Ma, Zhongxiao; Hu, Xi; Zhang, Xin; Gao, Shulin; Liang, Deqiang; Wang, Baoling; Li, Weili; Li, Yanni","Electroreductive synthesis of polyfunctionalized pyridin-2-ones from acetoacetanilides and carbon disulfide with oxygen evolution.","Organic & biomolecular chemistry","2022","20","5","1013","1018","10.1039/d1ob02379a","","x-ray","1.54184","CuKα","","0.0516","0.0427","","","0.1144","0.1247","","","","","","1.031","","","","has coordinates","272753","2022-02-04","19:59:33",""
"7158484","6.55","0.017","12.76","0.03","13.5","0.03","97.07","0.03","97.8","0.03","98.64","0.03","1093","5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N3 O -","- C28 H25 N3 O -","- C56 H50 N6 O2 -","2","1","","Dhara, Samiran; Ghosh, Subhadeep; Das, Asish R.","An iron-catalyzed domino reaction of donor-acceptor cyclopropanes: a diastereoselective approach towards diversely functionalized pyrrolo-quinazolines.","Organic & biomolecular chemistry","2022","20","7","1415","1424","10.1039/d1ob02215f","","","0.71073","MoKα","","0.1615","0.0878","","","0.2003","0.2363","","","","","","0.875","","","","has coordinates","273425","2022-03-04","22:24:36",""
"7158485","10.3073","0.0018","18.584","0.003","14.516","0.002","90","","105.319","0.004","90","","2681.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cl8 N4 O2 Zn2 -","- C52 H52 Cl8 N4 O2 Zn2 -","- C104 H104 Cl16 N8 O4 Zn4 -","2","0.5","","Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin","A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.","Organic & biomolecular chemistry","2022","20","6","1253","1259","10.1039/d1ob02420e","","","0.71073","MoKα","","0.0945","0.0457","","","0.089","0.1079","","","","","","1.005","","","","has coordinates","273421","2022-03-04","22:24:13",""
"7158486","5.0066","0.0004","12.2115","0.0007","18.0086","0.0015","90","","91.708","0.009","90","","1100.52","0.14","113.6","0.1","113.6","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl N4 S -","- C9 H11 Cl N4 S -","- C36 H44 Cl4 N16 S4 -","4","1","","Li, Xinjie; Qi, Peng; Du, Hongguang","Cross dehydrogenation coupling reaction of purine derivatives with thioethers.","Organic & biomolecular chemistry","2022","20","5","1058","1066","10.1039/d1ob02353e","","x-ray","0.71073","MoKα","","0.0424","0.0353","","","0.077","0.0822","","","","","","1.053","","","","has coordinates","272759","2022-02-04","20:00:42",""
"7158487","22.3405","0.0002","9.0682","0.0001","13.9052","0.0002","90","","127.433","0.001","90","","2236.9","0.05","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0631","0.0623","","","0.1692","0.1704","","","","","","1.015","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158488","9.3578","0.0003","11.4643","0.0003","23.4068","0.0007","90","","90","","90","","2511.1","0.13","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0486","0.0481","","","0.1319","0.1324","","","","","","1.048","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158489","8.0295","0.0005","8.2401","0.0007","13.3944","0.001","99.581","0.002","107.21","0.002","100.42","0.002","809.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C40 H26 Br2 N4 O2 -","2","1","","Rajput, Shruti; Kaur, Ramandeep; Jain, Nidhi","Pd and photoredox dual catalysis assisted decarboxylative <i>ortho</i>-benzoylation of <i>N</i>-phenyl-7-azaindoles.","Organic & biomolecular chemistry","2022","20","7","1453","1461","10.1039/d1ob02338a","","","0.71073","MoKα","","0.0694","0.0545","","","0.1433","0.1564","","","","","","1.077","","","","has coordinates","273423","2022-03-04","22:24:23",""
"7158490","7.8605","0.0005","11.7131","0.001","13.7225","0.0007","90","","94.58","0.005","90","","1259.41","0.15","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 F2 O4 -","- C31 H22 F2 O4 -","- C62 H44 F4 O8 -","2","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0627","0.0534","","","0.1404","0.1473","","","","","","1.011","","","","has coordinates","273420","2022-03-04","22:24:07",""
"7158491","5.9854","0.0001","20.6879","0.0004","18.0213","0.0003","90","","95.78","0.002","90","","2220.15","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C124 H84 N4 O8 -","4","1","","Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng","A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.","Organic & biomolecular chemistry","2022","20","6","1226","1230","10.1039/d1ob02290c","","x-ray","0.71073","MoKα","","0.0425","0.0358","","","0.0895","0.0935","","","","","","1.067","","","","has coordinates","273420","2022-03-04","22:24:08",""
"7158492","12.0831","0.0002","9.0813","0.0002","18.423","0.0003","90","","102.333","0.002","90","","1974.91","0.06","109","2","109","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 O2 -","- C23 H22 N4 O2 -","- C92 H88 N16 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0418","0.0366","","","0.0941","0.0974","","","","","","1.067","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158493","15.7052","0.0008","5.036","0.0002","13.3544","0.0006","90","","90.211","0.004","90","","1056.21","0.08","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0565","0.0544","","","0.1524","0.1545","","","","","","1.071","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158494","13.5402","0.0003","7.8769","0.0002","16.4206","0.0004","90","","105.285","0.002","90","","1689.38","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan","Progress toward a biomimetic synthesis of pegaharmaline A.","Organic & biomolecular chemistry","2022","20","6","1275","1283","10.1039/d1ob02372a","","x-ray","1.54184","CuKα","","0.0473","0.0447","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","273419","2022-03-04","22:24:01",""
"7158495","13.4032","0.0003","13.4811","0.0006","19.0017","0.0003","97.062","0.002","100.428","0.0018","115.9","0.003","2957.3","0.18","100.02","0.14","100.02","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Cl3 I4 N14 O4 -","- C45 H39 Cl3 I4 N14 O4 -","- C90 H78 Cl6 I8 N28 O8 -","2","1","","Zhao, Tian; Lynch, Vincent M.; Sessler, Jonathan L.","Tetradentate halogen bonding macrocyclic anion receptor inspired by the ""Texas-sized"" molecular box.","Organic & biomolecular chemistry","2022","20","5","980","983","10.1039/d1ob02381k","","x-ray","1.54184","CuKα","","0.0788","0.072","","","0.2102","0.225","","","","","","0.908","","","","has coordinates,has disorder","272758","2022-02-04","20:00:37",""
"7158496","9.8332","0.0017","13.452","0.002","16.081","0.003","90","","100.629","0.003","90","","2090.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O2 -","- C26 H19 N5 O2 -","- C104 H76 N20 O8 -","4","1","","Zhang, Xin-Ke; Miao, Xiao-Yu; Zhou, Yu; Wang, Yu-Mei; Song, Ying-Chun; Liu, Hang; Xiong, Yi-Lu; Li, Ling-Yu; Wu, An-Xin; Zhu, Yan-Ping","Iodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones <i>via</i> methyl azaarene sp<sup>3</sup> C-H functionalization.","Organic & biomolecular chemistry","2022","20","6","1236","1242","10.1039/d1ob02436a","","","0.71073","MoKα","","0.0643","0.0457","","","0.1333","0.1509","","","","","","1.01","","","","has coordinates","273422","2022-03-04","22:24:18",""
"7158497","8.5358","0.0004","9.3335","0.0003","20.6119","0.0009","95.328","0.003","91.723","0.004","90.573","0.003","1634.16","0.12","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","2","","Wang, Chunlian; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Copper-catalyzed three-component <i>N</i>-alkylation of quinazolinones and azoles.","Organic & biomolecular chemistry","2022","20","6","1200","1204","10.1039/d1ob02333k","","x-ray","1.54184","CuKα","","0.0629","0.0461","","","0.1117","0.1219","","","","","","1.037","","","","has coordinates","273418","2022-03-04","22:23:55",""
"7158498","5.7949","0.0004","15.4144","0.0012","21.1109","0.0017","90","","90","","90","","1885.7","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F2 O S -","- C24 H18 F2 O S -","- C96 H72 F8 O4 S4 -","4","1","","Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle","Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.","Organic & biomolecular chemistry","2022","20","7","1500","1509","10.1039/d1ob02268g","","","0.71073","MoKα","","0.0777","0.0532","","","0.1108","0.1295","","","","","","1.095","","","","has coordinates","273426","2022-03-04","22:24:41",""
"7158499","31.87","0.03","5.876","0.008","8.328","0.008","90","","90","","90","","1560","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(Z)-4-fluoro-2-isobutyl-5-phtalimidopent-3-en-1-oic acid","","- C17 H18 F N O4 -","- C17 H18 F N O4 -","- C68 H72 F4 N4 O16 -","4","1","","Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry","Convergent access to mono-fluoroalkene-based peptidomimetics.","Organic & biomolecular chemistry","2022","20","6","1205","1218","10.1039/d1ob02441h","","","0.71073","MoKα","","0.0358","0.0323","","","0.0767","0.0781","","","","","","1.037","","","","has coordinates","273417","2022-03-04","22:23:49",""
"7158500","11.0002","0.0005","12.8129","0.0005","14.2811","0.0006","93.8303","0.0014","97.7328","0.0014","110.112","0.0013","1859.03","0.14","297","2","297","2","","","","","","","","7","P -1","-P 1","2","SCM2105","","","- C36 H52 Cl3 N2 O P Pd -","- C36 H52 Cl3 N2 O P Pd -","- C72 H104 Cl6 N4 O2 P2 Pd2 -","2","1","","Ng, Shan Shan; Chen, Zicong; Yuen, On Ying; So, Chau Ming","An indole-amide-based phosphine ligand enabling a general palladium-catalyzed sterically hindered Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2022","20","7","1373","1378","10.1039/d1ob02294f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0647","0.0663","","","","","","1.05","","","","has coordinates","273428","2022-03-04","22:24:52",""
"7158501","7.6358","0.0009","9.0784","0.0011","9.7663","0.0013","109.932","0.003","107.117","0.003","92.339","0.003","600.71","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","deoxytoddaquinoline","6-methyl-6,7-dihydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]pyrido[2,3-e]azepine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C30 H28 N4 O4 -","2","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","0.71073","MoKα","","0.0625","0.0445","","","0.113","0.1244","","","","","","1.022","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158502","9.9992","0.0005","11.29","0.0005","12.2822","0.0006","90","","105.733","0.002","90","","1334.6","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 6-methyl-6,7-dihydro-5H-benzo[c]pyrido[2,3-e]azepine-10-carboxylate","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George","An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.","Organic & biomolecular chemistry","2022","20","7","1379","1385","10.1039/d1ob02245h","","","1.54178","CuKα","","0.034","0.0325","","","0.0817","0.083","","","","","","1.043","","","","has coordinates","273427","2022-03-04","22:24:47",""
"7158503","8.2614","0.0003","13.2824","0.0005","8.9573","0.0003","90","","110.019","0.001","90","","923.51","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao","A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.","Organic & biomolecular chemistry","2022","20","8","1642","1646","10.1039/d1ob02440j","","","0.71073","MoKα","","0.046","0.0378","","","0.0959","0.1035","","","","","","1.032","","","","has coordinates","273414","2022-03-04","22:23:17",""
"7158504","32.7473","0.0004","32.7473","0.0004","9.7272","0.0001","90","","90","","120","","9033.78","0.18","170","2","170.04","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C22 H23 F3 N2 O -","- C22 H23 F3 N2 O -","- C396 H414 F54 N36 O18 -","18","1","","Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He","Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water.","Organic & biomolecular chemistry","2022","20","7","1386","1390","10.1039/d1ob02335g","","","1.34139","GaKα","","0.0409","0.0336","","","0.0729","0.0771","","","","","","1.106","","","","has coordinates","273429","2022-03-04","22:24:59",""
"7158505","9.4321","0.0003","14.6668","0.0005","17.7584","0.0006","90","","90","","90","","2456.67","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O2 S -","- C27 H30 N2 O2 S -","- C108 H120 N8 O8 S4 -","4","1","","Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya","Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.","Organic & biomolecular chemistry","2022","20","9","1916","1925","10.1039/d1ob02281d","","","0.71073","MoKα","","0.0393","0.0338","","","0.0831","0.0871","","","","","","1.065","","","","has coordinates","273434","2022-03-04","22:25:58",""
"7158506","30.736","0.008","9.788","0.002","32.682","0.008","90","","107.241","0.003","90","","9390","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H18 N2 O5 S2 -","- C81 H18 N2 O5 S2 -","- C648 H144 N16 O40 S16 -","8","1","","Hashikawa, Yoshifumi; Murata, Yasujiro","Hydrogenation of cage-opened C<sub>60</sub> derivatives mediated by frustrated Lewis pairs.","Organic & biomolecular chemistry","2022","20","5","1000","1003","10.1039/d1ob02316k","","","0.71073","MoKα","","0.198","0.1154","","","0.2766","0.297","","","","","","1.084","","","","has coordinates","272441","2022-02-03","01:30:52",""
"7158507","12.0239","0.001","14.1732","0.0012","17.0536","0.0015","107.498","0.008","103.65","0.007","107.038","0.008","2477.1","0.5","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","2,6-dimesityl-1-methyl-4-phenyl-1,4-dihydropyridine","","- C30 H33 N -","- C30 H33 N -","- C120 H132 N4 -","4","2","","Hirao, Yasukazu; Eto, Hajime; Teraoka, Mitsuru; Kubo, Takashi","A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions.","Organic & biomolecular chemistry","2022","20","8","1671","1679","10.1039/d1ob02358f","","","0.71075","MoKα","","0.1359","0.0688","","","0.1544","0.1831","","","","","","1.019","","","","has coordinates","273413","2022-03-04","22:23:11",""
"7158508","10.1981","0.0007","13.4643","0.0005","11.1726","0.0008","90","","116.517","0.009","90","","1372.73","0.18","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 O2 S -","- C14 H17 N3 O2 S -","- C56 H68 N12 O8 S4 -","4","1","","Chen, Jiewen; Tian, Jinhong; Wen, Kangmei; Gao, Qiwen; Shi, Jie; Yao, Xingang; Wu, Ting; Tang, Xiaodong","A new method for C(sp<sup>2</sup>)-H sulfonylmethylation with glyoxylic acid and sodium sulfinates.","Organic & biomolecular chemistry","2022","20","8","1652","1655","10.1039/d2ob00029f","","x-ray","0.71073","MoKα","","0.0556","0.0477","","","0.1263","0.1336","","","","","","1.068","","","","has coordinates","273409","2022-03-04","22:22:41",""
"7158509","10.8331","0.0004","24.5894","0.001","13.8643","0.0005","90","","107.06","0.001","90","","3530.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H45 N O3 Si -","- C41 H45 N O3 Si -","- C164 H180 N4 O12 Si4 -","4","2","","He, Xuefeng; Buchotte, Marie; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.","A case study of the MAC (masked acyl cyanide) oxyhomologation of <i>N</i>,<i>N</i>-dibenzyl-L-phenylalaninal with <i>anti</i> diastereoselectivity: preparation of (2<i>S</i>,3<i>S</i>)-allophenylnorstatin esters.","Organic & biomolecular chemistry","2022","20","8","1769","1781","10.1039/d1ob02411f","","x-ray","1.54178","CuKα","","0.0318","0.0308","","","0.0787","0.0793","","","","","","1.024","","","","has coordinates","273415","2022-03-04","22:23:24",""
"7158510","9.8259","0.0003","9.8256","0.0002","10.8672","0.0003","97.864","0.002","108.797","0.002","103.162","0.002","941.65","0.05","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Zhang, Yaohong; Luo, Mengqiang; Zhang, Yichan; Cheng, Kai; Li, Yong; Qi, Chenze; Shen, Runpu; Wang, Hai","CuCl<sub>2</sub>·2H<sub>2</sub>O/TBHP mediated synthesis of β-enaminones <i>via</i> coupling reaction of vinyl azides with aldehydes.","Organic & biomolecular chemistry","2022","20","9","1952","1957","10.1039/d1ob02479e","","","1.54178","CuKα","","0.1044","0.0597","","","0.2185","0.2913","","","","","","1.383","","","","has coordinates","273431","2022-03-04","22:25:26",""
"7158511","19.5352","0.0005","14.0585","0.0004","13.9778","0.0005","90","","90","","90","","3838.8","0.2","295.48","0.1","295.48","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 Br N3 O -","- C20 H14 Br N3 O -","- C160 H112 Br8 N24 O8 -","8","1","","Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa","Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.","Organic & biomolecular chemistry","2022","20","10","2069","2074","10.1039/d1ob02492b","","x-ray","1.54184","CuKα","","0.0659","0.0606","","","0.1691","0.1719","","","","","","1.123","","","","has coordinates","275049","2022-05-05","20:52:51",""
"7158512","8.25955","0.00008","10.43795","0.00009","22.5124","0.0002","90","","90","","90","","1940.86","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang","Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.","Organic & biomolecular chemistry","2022","20","8","1647","1651","10.1039/d1ob02393d","","","1.3415","GaKα","","0.0222","0.0221","","","0.0611","0.0611","","","","","","1.048","","","","has coordinates","273410","2022-03-04","22:22:46",""
"7158513","7.1439","0.0014","10.734","0.002","14.451","0.003","72.259","0.009","81.41","0.009","72.811","0.01","1006.2","0.4","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F N O4 S -","- C24 H18 F N O4 S -","- C48 H36 F2 N2 O8 S2 -","2","1","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.0337","0.0322","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158514","11.849","0.004","8.586","0.003","12.73","0.005","90","","94.872","0.014","90","","1290.4","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","2","","Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.","Organic & biomolecular chemistry","2022","20","9","1900","1906","10.1039/d1ob02405a","","","0.71073","MoKα","","0.082","0.0791","","","0.1732","0.1783","","","","","","1.086","","","","has coordinates","273430","2022-03-04","22:25:06",""
"7158515","9.4606","0.0005","15.2394","0.0008","13.4503","0.0008","90","","108.685","0.003","90","","1836.98","0.18","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C80 H80 Cl4 N4 O8 S4 -","4","1","","Wang, Jiateng; Zhuang, Yunqing; Zhao, Jie; Bi, Yusong; Li, Chunyan; Bi, Gehua; Yang, Kai; Huang, Xin; Zhang, Weimin","Copper-catalyzed direct sulfenoamination of saturated ketones <i>via in situ</i> formed enaminones.","Organic & biomolecular chemistry","2022","20","8","1749","1753","10.1039/d1ob02469h","","","1.34139","GaKα","","0.0706","0.0449","","","0.1114","0.1212","","","","","","1.123","","","","has coordinates","273411","2022-03-04","22:22:51",""
"7158516","16.23","0.0009","6.6999","0.0004","19.3383","0.0011","90","","98.587","0.003","90","","2079.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4.6 H3.4 Cl0 N0.6 O0.3 S0.2 -","- C4.6 H3.4 N0.6 O0.3 S0.2 -","- C92 H68 N12 O6 S4 -","20","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0968","0.0811","","","0.2446","0.2644","","","","","","1.195","","","","has coordinates","273432","2022-03-04","22:25:36",""
"7158517","26.8368","0.0006","8.8018","0.0002","12.945","0.0003","90","","90","","90","","3057.77","0.12","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C3.6 H2.8 N0.4 O0.4 S0.2 -","- C144 H112 N16 O16 S8 -","40","5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0535","0.0414","","","0.0959","0.1079","","","","","","1.104","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158518","12.5624","0.0003","11.3761","0.0002","10.369","0.0002","90","","99.523","0.001","90","","1461.42","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.58 H3.58 N0.21 O0.42 S0.21 -","- C3.57895 H3.57895 N0.210526 O0.421053 S0.210526 -","- C68 H68 N4 O8 S4 -","19","4.75","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0569","0.0457","","","0.1209","0.1356","","","","","","1.067","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158519","6.5115","0.0013","10.484","0.002","20.277","0.004","90","","94.411","0.011","90","","1380.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.56 H3.33 N0.22 O0.44 S0.22 -","- C3.55556 H3.33333 N0.222222 O0.444444 S0.222222 -","- C64 H60 N4 O8 S4 -","18","4.5","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.0619","0.0479","","","0.1027","0.1113","","","","","","1.121","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158520","8.2185","0.0006","15.6692","0.0011","16.9546","0.0013","90","","92.798","0.004","90","","2180.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.43 H2.29 N0.29 O0.71 S0.14 -","- C3.42857 H2.28571 N0.285714 O0.714286 S0.142857 -","- C96 H64 N8 O20 S4 -","28","7","","Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu","Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.","Organic & biomolecular chemistry","2022","20","9","1982","1993","10.1039/d2ob00020b","","","0.71073","MoKα","","0.1065","0.0899","","","0.2813","0.3095","","","","","","1.129","","","","has coordinates","273432","2022-03-04","22:25:37",""
"7158521","22.1917","0.0004","11.30152","0.00018","24.5454","0.0004","90","","96.4591","0.0015","90","","6116.91","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H192 N12 O26 S4 -","- C112 H192 N12 O26 S4 -","- C224 H384 N24 O52 S8 -","2","0.5","","Rutkauskaite, Andzelika; White, Lisa J.; Hilton, Kira L. F.; Picci, Giacomo; Croucher, Lorraine; Caltagirone, Claudia; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles: determination of molecular self-association properties and calculation of critical micelle concentration using a high-throughput, optical density based methodology","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00066K","","x-ray","1.54184","CuKα","","0.0756","0.0601","","","0.1651","0.1785","","","","","","1.034","","","","has coordinates,has disorder","272943","2022-02-12","01:33:52",""
"7158522","5.457","0.002","10.698","0.005","21.399","0.009","90","","90","","90","","1249.3","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 S -","- C10 H16 O5 S -","- C40 H64 O20 S4 -","4","1","","Chen, Wei-Li; Liu, Zhang-Wei; Wang, Ying-Chun; Ma, Xiao-Pan; Mo, Dong-Liang","MnSO<sub>4</sub>-promoted S-O bond cleavage for synthesizing functionalized sulfonium ylides from activated alkynes and sulfoxides.","Organic & biomolecular chemistry","2022","20","8","1656","1661","10.1039/d1ob02491d","","","0.71073","MoKα","","0.0434","0.0421","","","0.1014","0.1026","","","","","","1.225","","","","has coordinates","273412","2022-03-04","22:22:59",""
"7158523","9.1754","0.0003","19.184","0.0006","13.4902","0.0004","90","","100.044","0.0018","90","","2338.17","0.13","174.1","","174","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.0567","","","","0.0745","","","","","","1.209","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158524","7.7233","0.0008","23.323","0.002","30.276","0.003","90","","90","","90","","5453.6","0.9","293.1","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C224 H256 N16 O56 -","8","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.1747","","","","0.2345","","","","","","1.067","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158525","14.8186","0.0004","6.1275","0.0002","17.0159","0.0004","90","","103.869","0.003","90","","1500.02","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O9 -","- C29 H42 O9 -","- C58 H84 O18 -","2","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0443","0.041","","","0.1022","0.1045","","","","","","1.037","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158526","8.9657","0.0002","13.2198","0.0002","18.8147","0.0003","90","","90","","90","","2230.01","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0331","0.0299","","","0.0978","0.0989","","","","","","1.296","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158527","9.97027","0.00008","13.27902","0.0001","20.904","0.0002","90","","90","","90","","2767.59","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O8 -","- C29 H44 O8 -","- C116 H176 O32 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0279","0.0271","","","0.069","0.0697","","","","","","1.044","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158528","7.4781","0.0004","12.81","0.0008","25.4104","0.0014","90","","90","","90","","2434.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 O6 -","- C25 H46 O6 -","- C100 H184 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0453","0.0427","","","0.1128","0.1149","","","","","","1.095","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158529","20.4236","0.0003","11.2645","0.0002","10.8753","0.0002","90","","90","","90","","2501.99","0.07","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0407","0.0396","","","0.1052","0.1065","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158530","8.31799","0.00011","10.12992","0.00017","28.0673","0.0004","90","","90","","90","","2364.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24.19 H42.38 O7 -","- C24.191 H42.382 O7 -","- C96.764 H169.528 O28 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0378","0.0369","","","0.0966","0.0975","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158531","32.26794","0.00016","32.26794","0.00016","6.19392","0.00004","90","","90","","120","","5585.2","0.05","120","2","120","2","","","","","","","","3","P 65","P 65","170","","","","- C25 H42 O4 -","- C25 H42 O4 -","- C150 H252 O24 -","6","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0631","0.0634","","","","","","1.047","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158532","9.0368","0.0004","9.7879","0.0005","12.8089","0.0006","72.001","0.002","83.06","0.002","79.877","0.002","1058.06","0.09","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","P1","","- C22 H15 Br F3 N O2 S Se -","- C22 H15 Br F3 N O2 S Se -","- C44 H30 Br2 F6 N2 O4 S2 Se2 -","2","1","","Wang, Hui; Yao, Yunfei; You, Yi; Huang, Yangjie; Weng, Zhiqiang","An aerobic copper-mediated domino process for the synthesis of 3-(trifluoromethylseleno)indoles.","Organic & biomolecular chemistry","2022","20","10","2115","2120","10.1039/d2ob00063f","","","1.54178","CuKα","","0.0258","0.0248","","","0.0621","0.0627","","","","","","1.09","","","","has coordinates","275050","2022-05-05","20:52:57",""
"7158533","7.3015","0.0001","11.6303","0.0002","28.2622","0.0003","90","","90","","90","","2399.99","0.06","172.97","0.13","172.97","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","Hu, Jiadong; Ji, Kai; Yan, Lihong; Yang, Siyu; Li, Yin; Wen, Wen; Chen, Le; Wu, Xiaohui; Hu, Youcai; Xie, Weiqing","A concise synthesis of herbertenolide","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00041E","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0787","0.0793","","","","","","1.044","","","","has coordinates","273046","2022-02-20","01:26:58",""
"7158534","13.208","0.002","9.2277","0.0012","12.4378","0.0019","90","","98.905","0.015","90","","1497.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C72 H68 Cl4 N8 O4 -","4","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.1487","0.0811","","","0.1545","0.1951","","","","","","1.048","","","","has coordinates","273152","2022-02-25","01:37:23",""
"7158535","6.1438","0.0019","11.089","0.004","22.162","0.007","90","","90.296","0.007","90","","1509.8","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 O12 -","- C76 H88 O12 -","- C76 H88 O12 -","1","0.25","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","","0.7107","MoKα","","","0.0501","","","","0.1735","","","","","","1.169","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158536","9.8183","0.0014","17.594","0.003","25.274","0.004","90","","90","","90","","4365.9","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Cl3 N2 O -","- C25 H23 Cl3 N2 O -","- C200 H184 Cl24 N16 O8 -","8","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.1671","0.0805","","","0.1427","0.1902","","","","","","1.028","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158537","11.448","0.0005","15.4161","0.0005","17.7415","0.0007","90","","101.362","0.004","90","","3069.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O S -","- C20 H19 N O S -","- C160 H152 N8 O8 S8 -","8","2","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.0608","0.0466","","","0.0996","0.11","","","","","","1.041","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158538","6.3943","0.0002","18.0605","0.0005","11.5544","0.0004","90","","98.892","0.003","90","","1318.31","0.07","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.0804","0.0473","","","0.1098","0.1266","","","","","","1.0366","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158539","10.3357","0.0003","7.9301","0.0002","13.6175","0.0004","90","","107.526","0.003","90","","1064.32","0.05","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diethyl 2-(tert-butylcarboxyamino)-2-(1-methylindol-3-yl)propanedioate","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","","Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi","Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02482E","","","0.71073","MoKα","","0.0486","0.0443","","","0.1137","0.1163","","","","","","1.046","","","","has coordinates","273174","2022-02-26","01:34:50",""
"7158540","11.4946","0.0008","11.5682","0.0006","11.825","0.0007","90","","104.642","0.007","90","","1521.33","0.17","103","1","103","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-Methylindol-3-yl)-2-(pivaloylamino)acetic acid","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Asahara, Haruyasu; Bonkohara, Atsushi; Takagi, Masaya; Iwai, Kento; Ito, Akitaka; Yoshioka, Kotaro; Tani, Shinki; Umezu, Kazuto; Nishiwaki, Nagatoshi","Development of synthetic equivalent of α,α-dicationic acetic acid leading to unnatural amino acid derivatives via tetrafunctionalized methanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02482E","","","0.71073","MoKα","","0.0725","0.0505","","","0.1225","0.1344","","","","","","1.065","","","","has coordinates","273174","2022-02-26","01:34:51",""
"7158541","9.2206","0.0005","11.1857","0.0006","11.8704","0.0007","112.905","0.002","103.286","0.002","96.447","0.002","1069.43","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl2 N2 O3 -","- C21 H22 Cl2 N2 O3 -","- C42 H44 Cl4 N4 O6 -","2","1","","Yi, Zi-Juan; Sun, Jian-Ting; Yang, Tian-Yu; Yu, Xian-Yong; Han, Xiao-Li; Wei, Bang-Guo","Cu(OTf)2-catalyzed C3 aza-Friedel–Crafts alkylation of indoles with N,O-acetals","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02383G","","","0.71073","MoKα","","0.0583","0.0435","","","0.1076","0.1191","","","","","","1.018","","","","has coordinates","273200","2022-03-02","01:39:22",""
"7158542","9.7774","0.0006","10.6374","0.0007","18.9895","0.0014","91.317","0.002","95.348","0.002","108.325","0.002","1863.8","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Br N2 O -","- C20 H21 Br N2 O -","- C80 H84 Br4 N8 O4 -","4","2","","Yi, Zi-Juan; Sun, Jian-Ting; Yang, Tian-Yu; Yu, Xian-Yong; Han, Xiao-Li; Wei, Bang-Guo","Cu(OTf)2-catalyzed C3 aza-Friedel–Crafts alkylation of indoles with N,O-acetals","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02383G","","","0.71073","MoKα","","0.0854","0.0452","","","0.0984","0.1174","","","","","","1.006","","","","has coordinates","273200","2022-03-02","01:39:22",""
"7158543","8.872","0.002","10.452","0.003","10.957","0.003","102.427","0.003","90.106","0.003","113.697","0.003","904.1","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N O4 P -","- C19 H20 N O4 P -","- C38 H40 N2 O8 P2 -","2","1","","Kaboudin, Babak; Moradi, Atieh; Esfandiari, Hesam; Daliri, Payam; Kazemi, Foad; Yanai, Hikaru; Aoyama, Hiroshi","ZnCl2-Mediated Stereo- and Chemoselective Synthesis of Vinylphosphonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00037G","","x-ray","0.71073","MoKα","K-L~3~","0.0562","0.0418","","","0.0995","0.1096","","","","","","1.048","","","","has coordinates","273313","2022-03-04","01:40:10",""
"7158544","7.3322","0.0012","11.641","0.0019","12.031","0.003","90","","96.751","0.014","90","","1019.8","0.3","119","2","119","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Lei, ZhenYao; Hu, Kui; He, Yuanxiang; Geng, Shu; Zou, Shuai; Chen, Lina; Li, Pan; Ding, ZhiJun; Huang, Feng","Visible light-induced N-radicals 5-exo/6-endo cyclization of alkenyl amide: facile access to isoindolinones/isoquinolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00317A","","x-ray","0.71073","MoKα","","0.0625","0.0451","","","0.0931","0.1048","","","","","","1.062","","","","has coordinates","273314","2022-03-04","01:40:50",""
"7158545","8.9132","0.0005","11.7925","0.0006","12.0168","0.0006","71.738","0.003","69.902","0.003","72.397","0.003","1099.23","0.1","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","","Lei, ZhenYao; Hu, Kui; He, Yuanxiang; Geng, Shu; Zou, Shuai; Chen, Lina; Li, Pan; Ding, ZhiJun; Huang, Feng","Visible light-induced N-radicals 5-exo/6-endo cyclization of alkenyl amide: facile access to isoindolinones/isoquinolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00317A","","","1.54178","CuKα","","0.0447","0.039","","","0.1046","0.1093","","","","","","1.068","","","","has coordinates","273314","2022-03-04","01:40:53",""
"7158546","19.0755","0.0005","10.8083","0.0003","10.4073","0.0003","90","","96.365","0.001","90","","2132.49","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O -","- C29 H25 N O -","- C116 H100 N4 O4 -","4","1","","Zi, Quan-Xing; Cong, Jielun; Li, Lun; Yin, Meng; Zhao, Jingfeng; Li, Liang; Yang, Xiaodong","Synthesis of 1-Pyrroline Derivatives via Cyclization of Terminal Alkynes with 2-Azaallyls","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00102K","","","1.54178","CuKα","","0.0419","0.0407","","","0.1003","0.1013","","","","","","1.057","","","","has coordinates","273315","2022-03-04","01:41:30",""
"7158547","29.9557","0.001","7.3668","0.0002","8.1504","0.0003","90","","90","","90","","1798.61","0.1","199.99","0.1","199.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.04","0.0355","","","0.0915","0.0943","","","","","","1.072","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158548","11.56","0.0002","7.67541","0.00019","16.0245","0.0003","90","","105.743","0.002","90","","1368.48","0.05","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H30 N2 O3 -","- C35 H30 N2 O3 -","- C70 H60 N4 O6 -","2","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.0331","0.0326","","","0.0881","0.0889","","","","","","1.059","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158549","8.5857","0.0001","11.065","0.0001","26.4839","0.0002","90","","90","","90","","2515.99","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.029","0.0285","","","0.0758","0.0764","","","","","","1.056","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158550","5.9706","0.0008","8.0539","0.0008","42.817","0.005","90","","90","","90","","2058.9","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.098","0.0789","","","0.1769","0.1965","","","","","","1.051","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158551","8.14005","0.00014","15.6385","0.0002","10.95867","0.00019","90","","99.0409","0.0017","90","","1377.69","0.04","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O3 -","- C30 H48 O3 -","- C60 H96 O6 -","2","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0332","0.0319","","","0.0845","0.0853","","","","","","1.064","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158552","9.17564","0.00016","15.1486","0.0003","16.0961","0.0004","102.879","0.002","100.413","0.0017","102.046","0.0016","2071.52","0.08","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C90 H144 O12 -","- C90 H144 O12 -","- C90 H144 O12 -","1","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.0738","0.068","","","0.1748","0.179","","","","","","1.057","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158553","5.2698","0.001","7.5782","0.0014","10.1856","0.0019","100.249","0.011","91.298","0.012","98.547","0.011","395.33","0.13","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","","0.71073","MoKα","","0.2441","0.0878","","","0.1304","0.1658","","","","","","0.956","","","","has coordinates","273466","2022-03-06","01:36:02",""
"7158554","17.407","0.009","5.143","0.002","25.561","0.011","90","","110.287","0.013","90","","2146.4","1.7","100","1","100","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","","0.71073","MoKα","","0.2212","0.0772","","","0.0927","0.1157","","","","","","1.018","","","","has coordinates","273466","2022-03-06","01:36:10",""
"7158555","5.3029","0.0014","5.4415","0.0015","28.824","0.008","87.791","0.009","87.437","0.009","66.595","0.008","762.3","0.4","100","1","100","1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C30 H52 O8 -","2","1","","BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa","Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00047D","","x-ray","0.71073","MoKα","","0.28","0.0945","","","0.1204","0.1471","","","","","","0.952","","","","has coordinates","273466","2022-03-06","01:36:17",""
"7158556","41.083","0.006","41.083","0.006","8.1322","0.001","90","","90","","120","","11887","3","273","2","273","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C29 H29 N O7 S -","- C29 H29 N O7 S -","- C522 H522 N18 O126 S18 -","18","1","","More, Satish Govind; Suryavanshi, Gurunath M.","Lewis acid triggered N-alkylation of sulfoximines through nucleophilic ring-opening of donor-acceptor cyclopropanes: synthesis of γ-sulfoximino malonic diesters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00213B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0681","0.0742","","","","","","0.603","","","","has coordinates","273467","2022-03-06","01:37:15",""
"7158557","7.53431","0.00004","11.74547","0.00007","21.92815","0.00013","90","","90","","90","","1940.51","0.019","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0686","0.0687","","","","","","1.108","","","","has coordinates","273519","2022-03-08","01:32:51",""
"7158558","12.4129","0.0001","6.4432","0.0001","24.3361","0.0003","90","","101.14","0.001","90","","1909.7","0.04","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C80 H96 Cl4 N4 O16 -","4","2","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0315","0.0299","","","0.0866","0.0878","","","","","","1.078","","","","has coordinates","273519","2022-03-08","01:32:52",""
"7158559","28.7071","0.0004","28.7071","0.0004","25.9528","0.0004","90","","90","","120","","18522.2","0.5","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","6","","- C81 H66 F2 N4 O6 -","- C81 H66 F2 N4 O6 -","- C729 H594 F18 N36 O54 -","9","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","x-ray","1.54178","CuKα","","0.0641","0.0402","","","0.0987","0.1101","","","","","","1.025","","","","has coordinates,has disorder","273548","2022-03-09","01:37:20",""
"7158560","18.54","","10.37","","24.28","","90","","103.312","0.003","90","","4542.64","0.06","100","","100","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4a (racemate)","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C240 H184 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.051","0.0478","","0.1248","0.1221","0.1248","","","","","","0.9959","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158561","21.811899","0.000014","9.8405","0.00001","23.848099","0.000014","90","","101.347","0.0018","90","","5018.7","0.03","293","","293","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4j (racemate)","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C256 H216 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0441","0.041","","0.11","0.1058","0.11","","","","","","0.8816","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158562","9.3537","0.0003","12.1471","0.0004","11.0218","0.0003","90","","104.661","0.003","90","","1211.53","0.07","299","","299","","","","100","","","","","4","P 1 21 1","P 2yb","4","","(+)-4b","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0421","0.037","","0.0943","0.0886","0.0943","","","","","","0.9451","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158563","14.7596","0.000014","9.835999","0.00001","17.417799","0.000014","90","","94.472","0.0018","90","","2520.94","0.007","100","","100","","","","100","","","","","4","P 1 21/n 1","-P 2yn","14","","4m (racemate)","","- C132 H96 N8 O12 -","- C132 H96 N8 O12 -","- C132 H96 N8 O12 -","1","0.25","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.5418","CuKα","","0.0566","0.0517","","0.1384","0.1316","0.1384","","","","","","0.9581","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158564","12.5954","0.0005","20.4792","0.0008","21.2634","0.0009","91.735","0.002","106.457","0.002","94.822","0.002","5233","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 I2 N5 O4 Pt -","- C33 H33 I2 N5 O4 Pt -","- C198 H198 I12 N30 O24 Pt6 -","6","3","","Sierra, Miguel A.; Avello, Marta G.; Moreno-Latorre, María; de la Torre, Maria C.; Casarrubios, Luis; Hemmert, Catherine; GORNITZKA, Heinz","β-Lactam and Penicillin Substituted Mesoionic Metal Carbene Complexes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00216G","","","0.71073","MoKα","","0.0954","0.0501","","","0.093","0.1197","","","","","","1.16","","","","has coordinates,has disorder","273549","2022-03-09","01:38:07",""
"7158565","7.1449","0.0009","15.429","0.003","11.89","0.002","90","","99.952","0.015","90","","1291","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 I2 N8 O12 -","- C16 H26 I2 N8 O12 -","- C32 H52 I4 N16 O24 -","2","1","","Mathe-Allainmat, Monique; LeBreton, Jacques; Sierocki, Pierre; Guillemont, Jerome; Tessier, Arnaud; Arzel, Laurence; Grosse, Sandrine; Gaillard, Krystal; Arellano-Reyes, Ruben Arturo; Lambert, Emilie; Donnard, Chloe","Synthesis of novel C-nucleoside analogues bearing an anomeric cyano and a 1,2,3-triazole nucleobase as potential antiviral agents","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02451E","","","1.54184","CuKα","","0.0904","0.0641","","","0.1486","0.1763","","","","","","0.997","","","","has coordinates","273580","2022-03-10","01:37:24",""
"7158566","9.9654","0.0002","10.8736","0.0002","14.6459","0.0003","100.434","0.002","109.813","0.002","94.308","0.002","1452.32","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-(p-Tolyl)naphtho[2,1-f]pyreno[2,1-h]quinoline","","- C39 H23 Cl3 D N -","- C39 H23 Cl3 D N -","- C78 H46 Cl6 D2 N2 -","2","1","","Tonkoglazova, Daria; Oryabinskaya, Lyubov M.; Shcherbatykh, Aleksandr; Gulevskaya, Anna V.","Synthesis and crystal structure of pH-sensitive fluorescent pyrene-based double aza- and diaza[4]helicenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00204C","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0951","0.098","","","","","","1.054","","","","has coordinates","273581","2022-03-10","01:38:01",""
"7158567","47.1826","0.0003","6.90335","0.00005","24.948","0.0002","90","","103.474","0.0008","90","","7902.35","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8-Iodo-7-phenylpyreno[1,2-f]quinoxaline","","- C28 H15 I N2 -","- C28 H15 I N2 -","- C448 H240 I16 N32 -","16","2","","Tonkoglazova, Daria; Oryabinskaya, Lyubov M.; Shcherbatykh, Aleksandr; Gulevskaya, Anna V.","Synthesis and crystal structure of pH-sensitive fluorescent pyrene-based double aza- and diaza[4]helicenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00204C","","x-ray","1.54184","CuKα","","0.023","0.0218","","","0.0596","0.0604","","","","","","1.068","","","","has coordinates","273581","2022-03-10","01:38:02",""
"7158568","13.653","0.005","5.286","0.002","17.808","0.007","90","","100.77","0.05","90","","1262.6","0.9","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O6 -","- C16 H10 O6 -","- C64 H40 O24 -","4","1","","Hutchings, Michael; Lawrence, Anthony J.; Kennedy, Alan","Colour and constitution of conjugate bases of benzodifurantrione, its ring-opened derivatives and benzodifuranone dye analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02442F","","","1.5418","CuKα","","0.1331","0.0619","","","0.1612","0.2197","","","","","","0.942","","","","has coordinates","273635","2022-03-11","01:52:53",""
"7158569","7.7647","0.0005","12.5408","0.0011","38.014","0.003","90","","90","","90","","3701.6","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","1","0.25","","Llobat, Alberto; Escorihuela, Jorge; Ramírez de Arellano, Carmen; Fustero, Santos; Medio-Simón, Mercedes","Intramolecular rhodium-catalysed [2 + 2 + 2] cycloaddition of linear chiral N-bridged triynes: straightforward access to fused tetrahydroisoquinoline core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00340F","","","0.71073","MoKα","","0.0583","0.0523","","","0.1317","0.1371","","","","","","1.144","","","","has coordinates,has disorder","273674","2022-03-12","01:35:27",""
"7158570","10.2403","0.0005","15.5996","0.0008","12.3812","0.0006","90","","102.08","0.007","90","","1934.03","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F2 N O -","- C24 H21 F2 N O -","- C96 H84 F8 N4 O4 -","4","1","","Yamamoto, Yoshihiko; Suzuki, Harufumi; Kuroyanagi, Eisuke; Yamada, Keiji; Yasui, Takeshi","Co-catalyzed atom transfer radical addition of bromodifluoroacetamides, expanding the scope of radical alkylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00437B","","","1.54187","CuKα","","0.0519","0.0481","","","0.1211","0.1243","","","","","","1.054","","","","has coordinates","273712","2022-03-16","01:34:37",""
"7158571","12.3306","0.0009","15.8437","0.0012","8.6085","0.0007","90","","94.257","0.003","90","","1677.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Yatham, Veera Reddy; Tripathy, Alisha Rani; A, Rizwana Rahmathulla; Kumar, Amit","Photocatalyzed Alkylative Cyclization of 2-Isocyanobiphenyls with Unactivated Alkyl Iodides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00314G","","","0.71073","MoKα","","0.1318","0.0543","","","0.1204","0.1542","","","","","","0.993","","","","has coordinates","273766","2022-03-18","01:37:13",""
"7158572","9.1696","0.0008","10.0689","0.0009","25.845","0.002","90","","90","","90","","2386.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B O P -","- C25 H35 B O P -","- C100 H140 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1715","0.1046","","","0.2575","0.298","","","","","","1.086","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158573","9.6028","0.0009","14.6741","0.0013","16.227","0.0015","90","","95.398","0.002","90","","2276.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 B O P -","- C24 H33 B O P -","- C96 H132 B4 O4 P4 -","4","2","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1054","0.0608","","","0.1396","0.1599","","","","","","0.958","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158574","12.84","0.05","13.69","0.05","14.68","0.05","90","","90","","90","","2580","16","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B O P -","- C26 H37 B O P -","- C104 H148 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.2276","0.1183","","","0.2873","0.35","","","","","","0.965","","","","has coordinates","273767","2022-03-18","01:38:05",""
"7158575","38.906","0.0012","5.7838","0.0002","11.1782","0.0003","90","","102.526","0.001","90","","2455.5","0.13","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","2","","Yang, Haidi; Liu, Jinyao; Hu, Pan; Gao, Liang; Huang, Zedu; Chen, Fen-Er","Asymmetric Total Synthesis of (+)-(2R,4’R,8’R)--Tocopherol Enabled by Enzymatic Desymmetrization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00384H","","","1.34138","GaKα","","0.0483","0.0454","","","0.1234","0.127","","","","","","1.056","","","","has coordinates","273768","2022-03-18","01:38:44",""
"7158576","5.5942","0.0003","10.5681","0.0006","11.9447","0.0006","102.226","0.002","92.692","0.002","90.534","0.002","689.26","0.06","299","2","299","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C36 H28 O6 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0972","0.0745","","","0.1827","0.1981","","","","","","1.14","","","","has coordinates","275825","2022-06-06","02:05:12",""
"7158577","10.4584","0.0004","3.9248","0.0002","31.2078","0.0013","90","","95.455","0.004","90","","1275.19","0.1","298","0.7","298","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.0738","0.0493","","","0.1259","0.1474","","","","","","1.026","","","","has coordinates","275825","2022-06-06","02:05:23",""
"7158578","5.442","0.0005","10.6713","0.0015","12.7912","0.0018","71.516","0.013","87.083","0.009","75.865","0.01","682.89","0.16","295","1","295","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C36 H28 O8 -","2","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","x-ray","0.71073","MoKα","","0.1291","0.0775","","","0.1854","0.229","","","","","","1.03","","","","has coordinates","275825","2022-06-06","02:05:26",""
"7158579","12.3812","0.0007","5.5547","0.0003","18.6375","0.001","90","","94.036","0.002","90","","1278.59","0.12","300","2","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 -","- C17 H12 O3 -","- C68 H48 O12 -","4","1","","Krishna, Anugam V.; Ramachary, Dhevalapally B.","The seven-step, one-pot regioselective synthesis of biologically important 3-aryllawsones: scope and applications.","Organic & biomolecular chemistry","2022","20","19","3948","3954","10.1039/d2ob00438k","","","0.71073","MoKα","","0.0887","0.0829","","","0.1912","0.1975","","","","","","1.287","","","","has coordinates","275825","2022-06-06","02:05:29",""
"7158580","22.7593","0.0014","10.8788","0.0007","19.9065","0.0012","90","","111.832","0.001","90","","4575.2","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H21 Br N2 O -","- C29 H21 Br N2 O -","- C232 H168 Br8 N16 O8 -","8","1","","Hosseinijei, Reyhaneh; Zahedian Tejeneki, Hossein; Nikbakht, Ali -; Rominger, Frank -; Balalaie, Saeed","Synthesis of Functionalized 1-Aminoisoquinolines through Cascade Three-Component Reaction of ortho-Alkynylbenzaldoximes, 2H-Azirines, and Electrophiles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00275B","","","0.71073","MoKα","","0.0841","0.0462","","","0.0862","0.0987","","","","","","1.024","","","","has coordinates","273823","2022-03-19","01:29:01",""
"7158581","8.4389","0.0015","16.182","0.003","8.8628","0.0017","90","","91.763","0.007","90","","1209.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl N O -","- C12 H20 Cl N O -","- C48 H80 Cl4 N4 O4 -","4","1","","Trenchs, Gisela; Diaba, Faïza","Photoredox catalysis in the synthesis of γ- and δ-lactams from N-alkenyl trichloro- and dichloroacetamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00276K","","","0.71073","MoKα","","0.1043","0.0582","","","0.0942","0.1131","","","","","","1.034","","","","has coordinates","273824","2022-03-19","01:29:24",""
"7158582","14.998","0.0006","12.8933","0.0005","21.1475","0.0011","90","","90","","90","","4089.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Cl N O6 -","- C23 H22 Cl N O6 -","- C184 H176 Cl8 N8 O48 -","8","1","","Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng","Diastereoselective construction of tetracyclic chromanes <i>via</i> a triply annulative strategy.","Organic & biomolecular chemistry","2022","20","16","3342","3347","10.1039/d2ob00326k","","x-ray","0.71073","MoKα","","0.0502","0.0389","","","0.083","0.0903","","","","","","1.057","","","","has coordinates","275064","2022-05-05","20:55:15",""
"7158583","6.8434","0.0007","10.0084","0.0008","10.5726","0.0009","73.419","0.003","75.274","0.004","72.063","0.003","649.21","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.1037","0.0735","","","0.1965","0.2237","","","","","","1.385","","","","has coordinates","273909","2022-03-23","01:33:22",""
"7158584","41.99","0.011","7.821","0.002","10.606","0.003","90","","90","","90","","3483.1","1.6","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C136 H160 O48 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.1094","0.0795","","","0.1819","0.2053","","","","","","1.292","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158585","6.7389","0.0012","14.205","0.003","32.179","0.006","90","","90","","90","","3080.4","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 S -","- C14 H12 Cl2 O4 S -","- C112 H96 Cl16 O32 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.0572","0.0447","","","0.1163","0.1231","","","","","","1.09","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158586","23.154","0.0014","10.2807","0.0006","24.2524","0.0015","90","","111.897","0.002","90","","5356.5","0.6","197","2","197","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 N6 O16 S2 -","- C56 H54 N6 O16 S2 -","- C224 H216 N24 O64 S8 -","4","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.54178","cukα","","0.0333","0.0326","","","0.087","0.0878","","","","","","1.026","","","","has coordinates","273910","2022-03-23","01:34:24",""
"7158587","9.9808","0.0013","10.3586","0.0015","11.4372","0.0019","105.673","0.013","95.539","0.011","102.695","0.012","1095.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O6 S -","- C23 H22 N2 O6 S -","- C46 H44 N4 O12 S2 -","2","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.34138","GaKα","","0.0488","0.0426","","","0.1216","0.128","","","","","","1.061","","","","has coordinates,has disorder","273910","2022-03-23","01:34:25",""
"7158588","10.2364","0.0005","11.9238","0.0006","11.9612","0.0006","107.241","0.002","105.874","0.002","99.055","0.002","1295.2","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C56 H52 N4 O12 S2 -","2","1","","Tian, Heng-Zhi; Wu, Sheng-Feng; Zhuang, Guo-Wei; Lin, Guo-Qiang; Sun, Xing-Wen","Base-controlled dearomative [3+2] cycloadditions between 3-nitro-indoles and fumaric acid amide esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00296E","","","1.54178","CuKα","","0.0463","0.0433","","","0.1115","0.1136","","","","","","1.045","","","","has coordinates","273910","2022-03-23","01:34:25",""
"7158589","20.25","0.0007","25.6491","0.0008","17.0445","0.0006","90","","105.088","0.003","90","","8547.6","0.5","200","2","200","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","5,8,11-trimesityl-cyclopenta[1,2-c:4,3-c']difluorene radical","","- C54.75 H45.75 Cl2.25 -","- C54.7505 H45.7505 Cl2.2515 -","- C438.004 H366.004 Cl18.012 -","8","2","","Herzog, Stefan; Hinz, Alexander; Breher, Frank; Podlech, Joachim","Cyclopenta-fused polyaromatic hydrocarbons: synthesis and characterisation of a stable, carbon-centred helical radical","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00172A","","x-ray","0.71073","MoKα","","0.1428","0.0712","","","0.1575","0.1987","","","","","","1.017","","","","has coordinates,has disorder","273911","2022-03-23","01:35:09",""
"7158590","12.9731","0.0006","15.1155","0.0006","13.3582","0.0006","90","","94.384","0.002","90","","2611.8","0.2","298","2","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl N2 O3 S -","- C30 H23 Cl N2 O3 S -","- C120 H92 Cl4 N8 O12 S4 -","4","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.1145","0.0518","","","0.1069","0.1301","","","","","","1.013","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158591","21.023","0.003","12.4076","0.0016","18.781","0.003","90","","90","","90","","4898.9","1.2","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H22 N2 O3 S -","- C30 H22 N2 O3 S -","- C240 H176 N16 O24 S8 -","8","2","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0583","0.0422","","","0.0929","0.1018","","","","","","1.017","","","","has coordinates","275057","2022-05-05","20:54:17",""
"7158592","11.4722","0.0009","11.6024","0.0009","11.81","0.0011","112.336","0.003","91.537","0.003","112.501","0.003","1315.8","0.2","185","2","185","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O3 S2 -","- C28 H20 N2 O3 S2 -","- C56 H40 N4 O6 S4 -","2","1","","Dai, Qing-Song; Li, Jun-Long; Wang, Qi-Wei; Yang, Si-Lin; Tao, Ying-Mao; He, Mei-Hao; Li, Qing-Zhu; Han, Bo; Zhang, Xiang","Sulphur ylide-mediated cyclopropanation and subsequent spirocyclopropane rearrangement reactions.","Organic & biomolecular chemistry","2022","20","17","3486","3490","10.1039/d2ob00466f","","","0.71073","MoKα","","0.0841","0.0503","","","0.1188","0.1357","","","","","","1.028","","","","has coordinates,has disorder","275057","2022-05-05","20:54:17",""
"7158593","9.754","0.003","9.783","0.003","27.883","0.009","89.185","0.011","88.372","0.013","62.58","0.009","2360.8","1.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O5 Se2 -","- C26 H24 O5 Se2 -","- C104 H96 O20 Se8 -","4","2","","Wang, Ying; Xu, Ning; Li, Weiwei; Li, Jiaojiao; Huo, Yijun; Zhu, Wenrong; Liu, Qiang","Synthesis of 1,3-diselenyl-dihydroisobenzofurans via electrochemical radical selenylation with substituted o-divinylbenzenes and diselenides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00254J","","","0.71073","MoKα","","0.1385","0.0917","","","0.2493","0.2987","","","","","","1.037","","","","has coordinates","273947","2022-03-24","01:37:58",""
"7158594","8.1282","0.0003","13.2665","0.0006","14.8538","0.0008","111.379","0.005","101.712","0.004","94.591","0.003","1439.47","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O -","- C16 H14 F3 N3 O -","- C64 H56 F12 N12 O4 -","4","2","","Lan, Jianyong; Li, Shaoyun; Lin, Kejun; Zhou, Peng; Chen, Weili; Gao, Liqian; Zhu, Tingshun","The eco-friendly electrosynthesis of trifluoromethylated spirocyclic indolines and their anticancer activity.","Organic & biomolecular chemistry","2022","20","17","3475","3479","10.1039/d2ob00459c","","x-ray","1.54184","CuKα","","0.0624","0.05","","","0.1358","0.1493","","","","","","1.051","","","","has coordinates","275051","2022-05-05","20:53:21",""
"7158595","6.7215","0.0002","18.6021","0.0005","20.0805","0.0005","90","","90","","90","","2510.75","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O5 S2 -","- C28 H24 F N O5 S2 -","- C112 H96 F4 N4 O20 S8 -","4","1","","Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin","α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.","Organic & biomolecular chemistry","2022","20","16","3263","3267","10.1039/d2ob00498d","","","0.71073","MoKα","","0.0399","0.0342","","","0.0794","0.082","","","","","","1.13","","","","has coordinates","275063","2022-05-05","20:55:09",""
"7158596","9.4017","0.0003","18.1121","0.0005","18.3977","0.0005","90","","90","","90","","3132.84","0.16","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H24 Br N3 O7 -","- C30 H24 Br N3 O7 -","- C120 H96 Br4 N12 O28 -","4","1","","Gu, Congzheng; Tian, Guangzheng; Yin, Qingyu; Wu, Fan; Li, Zhiming; Wu, Xiaoyu","Amide phosphonium salt catalyzed enantioselective Mannich addition of isoxazole-based nucleophiles to β,γ-alkynyl-α-ketimino esters.","Organic & biomolecular chemistry","2022","20","16","3323","3334","10.1039/d2ob00309k","","","1.54178","CuKα","","0.0606","0.06","","","0.1568","0.1578","","","","","","1.127","","","","has coordinates","275065","2022-05-05","20:55:21",""
"7158597","18.407","0.003","6.1109","0.0008","18.265","0.002","90","","118.358","0.004","90","","1808","0.4","138","2","138","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0388","0.0332","","","0.0715","0.0739","","","","","","1.047","","","","has coordinates","274092","2022-03-30","00:22:33",""
"7158598","10.091","0.003","6.9401","0.0017","13.251","0.003","90","","93.847","0.01","90","","925.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0591","0.045","","","0.0988","0.1064","","","","","","1.055","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158599","9.675","0.002","8.97","0.002","11.079","0.003","90","","112.311","0.009","90","","889.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0331","0.031","","","0.0784","0.0799","","","","","","1.002","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158600","9.705","0.003","8.9445","0.0019","11.226","0.002","90","","110.39","0.004","90","","913.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C32 H52 N4 O6 S2 -","2","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0579","0.0428","","","0.0913","0.0974","","","","","","1.049","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158601","9.5944","0.0016","12.7794","0.0019","14.847","0.003","90","","90","","90","","1820.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0511","0.0384","","","0.0763","0.0812","","","","","","1.034","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158602","11.311","0.003","11.311","0.003","25.025","0.016","90","","90","","120","","2773","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C96 H156 N12 O18 S6 -","6","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0697","0.0401","","","0.0701","0.0807","","","","","","1.013","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158603","9.7014","0.0014","9.7014","0.0014","16.297","0.003","90","","90","","120","","1328.3","0.4","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0599","0.0394","","","0.0656","0.0708","","","","","","0.728","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158604","9.6924","0.0009","9.6924","0.0009","16.293","0.004","90","","90","","120","","1325.5","0.4","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0891","0.0781","","","0.2876","0.2967","","","","","","1.084","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158605","6.1605","0.0012","9.3672","0.0016","32.178","0.007","90","","94.85","0.008","90","","1850.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","2","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0692","0.0512","","","0.0985","0.106","","","","","","1.01","","","","has coordinates,has disorder","274092","2022-03-30","00:22:35",""
"7158606","10.673","0.003","10.673","0.003","13.675","0.008","90","","90","","120","","1349.1","1","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.1236","0.0679","","","0.1142","0.1409","","","","","","0.944","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158607","10.6671","0.0008","10.6671","0.0008","13.665","0.002","90","","90","","120","","1346.6","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C48 H78 N6 O9 S3 -","3","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0505","0.0391","","","0.0708","0.0735","","","","","","0.955","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158608","11.3229","0.0014","12.9953","0.0015","17.423","0.002","90","","90","","90","","2563.7","0.5","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N4 O4 S -","- C25 H36 N4 O4 S -","- C100 H144 N16 O16 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0605","0.0401","","","0.0767","0.0838","","","","","","1.028","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158609","7.0729","0.0019","9.1807","0.0018","28.272","0.006","90","","90","","90","","1835.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0707","0.0492","","","0.101","0.111","","","","","","1.026","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158610","9.7838","0.0002","9.3969","0.0001","19.7446","0.0003","90","","95.282","0.001","90","","1807.56","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Lu, Yuling; Duan, Xianxian; Chen, Xia; Yao, Meng; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui","A mild tetradehydro-Diels–Alder reaction of aryldiyne compounds affords exclusively linear products","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00121G","","","1.54178","CuKα","","0.0757","0.0732","","","0.2078","0.2115","","","","","","1.075","","","","has coordinates","274093","2022-03-30","00:23:17",""
"7158611","5.7351","0.0001","41.9722","0.0012","8.3858","0.0002","90","","107.644","0.001","90","","1923.63","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Hsu, Yin-Yin; Luo, Sheng-Qi; Hong, Bor-Cherng; Chien, Su-Ying","A mild one-pot transformation of nitroalkanes to ketones or aldehydes <i>via</i> a visible-light photocatalysis-hydrolysis sequence.","Organic & biomolecular chemistry","2022","20","16","3292","3302","10.1039/d2ob00267a","","","0.71073","MoKα","","0.0602","0.0502","","","0.1197","0.125","","","","","","1.07","","","","has coordinates","275060","2022-05-05","20:54:51",""
"7158612","7.147","0.006","11.942","0.01","12.279","0.013","61.56","0.03","87.07","0.03","75.58","0.03","889.7","1.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","8-(5-Fluoro-2-hydroxybenzoyl)-6-phenyl-11H-pyrido[2,1-b]quinazolin-11-one","","- C25 H15 F N2 O3 -","- C25 H15 F N2 O3 -","- C50 H30 F2 N4 O6 -","2","1","","Yun, Ei Seul; Akhtar, Muhammad Saeed; Mohandoss, Sonaimuthu; Lee, Yong Rok","Microwave-assisted annulation for the construction of pyrido-fused heterocycles and their application as photoluminescent chemosensors.","Organic & biomolecular chemistry","2022","20","16","3397","3407","10.1039/d2ob00257d","","","0.71073","MoKα","","0.0793","0.058","","","0.1509","0.1696","","","","","","1.032","","","","has coordinates","275059","2022-05-05","20:54:44",""
"7158613","6.9257","0.0003","28.2706","0.0015","12.4537","0.0006","90","","99.8416","0.0017","90","","2402.5","0.2","128","2","128","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F8 N2 S2 -","- C26 H16 F8 N2 S2 -","- C104 H64 F32 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","0.71073","MoKa","","0.0594","0.0398","","","0.0979","0.115","","","","","","1.096","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158614","6.5704","0.0001","16.6413","0.0003","28.0569","0.0005","90","","94.4663","0.0006","90","","3058.43","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 S2 -","- C33 H32 F6 N2 S2 -","- C132 H128 F24 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","1.54178","CuKa","","0.0329","0.0325","","","0.0848","0.0854","","","","","","1.037","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158615","11.99","0.0005","21.3155","0.001","12.2134","0.0005","90","","93.3338","0.0017","90","","3116.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 F6 N2 S2 -","- C33 H32 F6 N2 S2 -","- C132 H128 F24 N8 S8 -","4","1","","Nakagawa, Yuma; Hishida, Tatsuya; Hatano, Eri; Sumaru, Kimio; Morishita, Kana; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced cytotoxicity of photochromic symmetric diarylethene derivatives: the relation of structure and cytotoxicity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00224H","","","0.71073","MoKa","","0.0637","0.0554","","","0.1504","0.1576","","","","","","1.03","","","","has coordinates","274154","2022-03-31","01:01:54",""
"7158616","8.1305","0.0007","9.2545","0.0008","14.7289","0.0013","96.831","0.003","98.583","0.003","104.865","0.003","1044.74","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl Cu N5 O2 -","- C25 H16 Cl Cu N5 O2 -","- C50 H32 Cl2 Cu2 N10 O4 -","2","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0828","0.0785","","","0.2316","0.2338","","","","","","1.133","","","","has coordinates","275056","2022-05-05","20:54:09",""
"7158617","10.881","0.002","10.233","0.002","11.017","0.002","90","","108.43","0.03","90","","1163.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Das, Krishna Mohan; Pal, Adwitiya; Adarsh, Nayarassery N.; Thakur, Arunabha","A novel quinoline-based NNN-pincer Cu(II) complex as a superior catalyst for oxidative esterification of allylic C(sp<sup>3</sup>)-H bonds.","Organic & biomolecular chemistry","2022","20","17","3540","3549","10.1039/d2ob00220e","","","0.71073","MoKα","","0.0776","0.0565","","","0.1555","0.1735","","","","","","1.048","","","","has coordinates,has disorder","275056","2022-05-05","20:54:09",""
"7158618","8.8732","0.0003","23.4482","0.0005","10.733","0.0003","90","","109.856","0.003","90","","2100.35","0.11","99.99","0.13","99.99","0.13","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H23 B Cl3 N O3 -","- C17 H23 B Cl3 N O3 -","- C68 H92 B4 Cl12 N4 O12 -","4","1","","Szwetkowski, Connor; Slebodnick, Carla; Santos, Webster L.","Regio- and stereoselective copper-catalyzed α,β-protoboration of allenoates: access to <i>Z</i>-β,γ-unsaturated β-boryl esters.","Organic & biomolecular chemistry","2022","20","16","3287","3291","10.1039/d2ob00423b","","x-ray","1.54184","CuKα","","0.0557","0.0535","","","0.1462","0.1481","","","","","","1.148","","","","has coordinates","275066","2022-05-05","20:55:26",""
"7158619","10.537","0.006","10.802","0.006","15.329","0.008","90","","94.978","0.015","90","","1738.2","1.7","303","2","302.81","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.1727","0.0933","","","0.1758","0.2079","","","","","","1.045","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158620","10.7002","0.0011","6.0652","0.0007","11.85","0.0012","90","","99.659","0.003","90","","758.15","0.14","126","2","126.44","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H25 N O5 -","- C13 H25 N O5 -","- C26 H50 N2 O10 -","2","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.054","0.0525","","","0.1359","0.1366","","","","","","1.157","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158621","5.466","0.0012","10.025","0.002","15.193","0.004","90","","90","","90","","832.5","0.3","146.15","","146.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.0505","0.0419","","","0.0963","0.1026","","","","","","1.079","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158622","10.5155","0.0011","15.442","0.002","15.19","0.002","90","","95.337","0.012","90","","2455.9","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N2 O3 -","- C31 H30 N2 O3 -","- C124 H120 N8 O12 -","4","1","","Chen, Lin; Liang, Wei","Phase-transfer catalyzed Michael/ammonolysis cascade reactions of enaminones and olefinic azlactones: a new approach to structurally diverse quinoline-2,5-diones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00096B","","x-ray","0.71073","MoKα","","0.0819","0.0609","","","0.143","0.1582","","","","","","1.056","","","","has coordinates","274158","2022-03-31","01:04:49",""
"7158623","10.5937","0.0006","15.3406","0.0011","16.5661","0.0007","87.802","0.005","88.24","0.004","81.951","0.005","2662.9","0.3","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Br N2 O3 -","- C31 H29 Br N2 O3 -","- C124 H116 Br4 N8 O12 -","4","2","","Chen, Lin; Liang, Wei","Phase-transfer catalyzed Michael/ammonolysis cascade reactions of enaminones and olefinic azlactones: a new approach to structurally diverse quinoline-2,5-diones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00096B","","x-ray","0.71073","MoKα","","0.1175","0.0621","","","0.1327","0.1585","","","","","","1.033","","","","has coordinates,has disorder","274158","2022-03-31","01:04:53",""
"7158624","13.1462","0.0013","8.7576","0.0007","25.691","0.002","90","","102.499","0.009","90","","2887.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 B N5 O0.5 -","- C13 H17 B N5 O0.5 -","- C104 H136 B8 N40 O4 -","8","1","","Zhang, Yifei; Liao, Yangzhen; Liu, Peijun; Ran, Yu; Liu, Xiaozu","Radical borylation of vinyl azides with NHC-boranes: divergent synthesis of α-boryl ketones and borylated triazoles.","Organic & biomolecular chemistry","2022","20","17","3550","3557","10.1039/d2ob00076h","","x-ray","0.71073","MoKα","","0.0582","0.0466","","","0.1073","0.1147","","","","","","1.06","","","","has coordinates","275052","2022-05-05","20:53:27",""
"7158625","10.4688","0.0001","15.0424","0.0001","14.4588","0.0001","90","","104.344","0.001","90","","2205.93","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H34 Cl2 I2 N2 O4 -","- C51 H34 Cl2 I2 N2 O4 -","- C102 H68 Cl4 I4 N4 O8 -","2","1","","Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng","Organocatalytic enantioselective construction of axially chiral (1<i>H</i>)-isochromen-1-imines.","Organic & biomolecular chemistry","2022","20","16","3277","3282","10.1039/d2ob00379a","","x-ray","1.54184","CuKα","","0.0271","0.026","","","0.0663","0.0698","","","","","","1.095","","","","has coordinates","275062","2022-05-05","20:55:02",""
"7158626","8.346","0.004","12.269","0.006","14.899","0.007","92.2","0.007","101.408","0.007","92.387","0.007","1492.5","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cl2 N4 O5 -","- C36 H22 Cl2 N4 O5 -","- C72 H44 Cl4 N8 O10 -","2","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.057","0.0431","","","0.1278","0.16","","","","","","1.011","","","","has coordinates","274412","2022-04-07","00:34:55",""
"7158627","13.543","0.003","10.328","0.002","22.564","0.005","90","","100.723","0.004","90","","3101","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 Br N4 O5 -","- C36 H23 Br N4 O5 -","- C144 H92 Br4 N16 O20 -","4","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0991","0.0509","","","0.1373","0.1749","","","","","","1.044","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158628","11.6817","0.0008","7.6497","0.0006","23.7774","0.0016","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0358","0.031","","","0.1088","0.1199","","","","","","0.936","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158629","10.0081","0.0009","12.9824","0.0011","17.1316","0.0016","90","","93.944","0.003","90","","2220.6","0.3","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl F6 I N O P -","- C21 H18 Cl F6 I N O P -","- C84 H72 Cl4 F24 I4 N4 O4 P4 -","4","1","","Wong, Man Kin; Cui, Jian-Fang; Yu, Qiong; O, Wa-Yi; Huang, Liwu; Yang, Bin","Synthesis of 1H-Isoindoliums by Electrophile-Mediated Cascade Cyclization/Iodination of Propargylamine-based 1,6-Diynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00316C","","","0.71073","MoKα","","0.0799","0.0622","","","0.1739","0.1851","","","","","","1","","","","has coordinates","274422","2022-04-08","00:35:25",""
"7158630","23.784","0.003","18.643","0.002","7.321","0.0009","90","","90.762","0.003","90","","3245.9","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 F3 N2 O5 -","- C35 H26 Cl3 F3 N2 O5 -","- C140 H104 Cl12 F12 N8 O20 -","4","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2177","0.0888","","","0.1412","0.1706","","","","","","1.142","","","","has coordinates,has disorder","275053","2022-05-05","20:53:35",""
"7158631","15.582","0.003","12.447","0.003","22.472","0.005","90","","90","","90","","4358.4","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F3 N6 O2 -","- C24 H13 F3 N6 O2 -","- C192 H104 F24 N48 O16 -","8","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2218","0.1079","","","0.223","0.2615","","","","","","1.098","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158632","28.4017","0.0014","10.6516","0.0005","14.9143","0.0008","90","","116.751","0.002","90","","4029","0.4","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H15 F3 N2 O4 -","- C22 H15 F3 N2 O4 -","- C176 H120 F24 N16 O32 -","8","2","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.0421","0.0376","","","0.0983","0.1007","","","","","","1.048","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158633","13.7128","0.0011","7.4784","0.0007","11.7095","0.0009","90","","96.628","0.007","90","","1192.78","0.17","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Liao, Hui; Huang, Zesheng; Zhu, Qiuhua","A simple Iodine-DMSO-promoted multicomponent reaction for the synthesis of 2,4-disubstituted dihydrotriazole-3-ones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00352J","","x-ray","1.54184","CuKα","","0.076","0.0458","","","0.1015","0.1213","","","","","","1.05","","","","has coordinates","274444","2022-04-09","00:46:46",""
"7158634","12.796","0.002","13.651","0.003","12.334","0.002","90","","117.073","0.006","90","","1918.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","","Ruan, Shuchen; Zhou, Chao; Li, Laiqiang; Wang, Lei; Liu, Jie; Li, Pinhua","Microwave-accelerated and benzoyl peroxide (BPO) initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00430E","","","0.71073","MoKα","","0.0516","0.0421","","","0.1017","0.109","","","","","","1.037","","","","has coordinates","274466","2022-04-12","01:02:00",""
"7158635","10.1427","0.0017","14.521","0.003","13.705","0.002","90","","103.529","0.006","90","","1962.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cz-1","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","","Ruan, Shuchen; Zhou, Chao; Li, Laiqiang; Wang, Lei; Liu, Jie; Li, Pinhua","Microwave-accelerated and benzoyl peroxide (BPO) initiated cyclization of 1,5-enynes having cyano groups with cyclic alkanes under metal-free conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00430E","","","0.71073","MoKα","","0.048","0.0446","","","0.1086","0.1119","","","","","","1.079","","","","has coordinates","274466","2022-04-12","01:02:00",""
"7158636","20.3525","0.0018","5.1265","0.0006","23.391","0.002","90","","111.209","0.004","90","","2275.2","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 F N2 O4 S -","- C8 H11 F N2 O4 S -","- C64 H88 F8 N16 O32 S8 -","8","1","","Yang, Wen-Fei; Shu, Tao; Chen, Hong-Ru; Qin, Hua-Li; Tang, Haolin","A cascade reaction for regioselective construction of pyrazole-containing aliphatic sulfonyl fluorides.","Organic & biomolecular chemistry","2022","20","17","3506","3510","10.1039/d2ob00515h","","","0.71073","MoKα","","0.126","0.074","","","0.1857","0.2077","","","","","","1.015","","","","has coordinates","275054","2022-05-05","20:53:42",""
"7158637","9.3467","0.001","15.2593","0.0017","16.6257","0.0018","66.179","0.007","79.925","0.008","88.526","0.009","2133.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N O4 -","- C27 H18 N O4 -","- C108 H72 N4 O16 -","4","2","","Tan Uygun, Meltem; Menges, Nurettin","Synthesis of spiroindolenine-cyclopentenedione skeletons and their chemical behaviours: the first example of a lactone-type spiroindolenine structure.","Organic & biomolecular chemistry","2022","20","20","4161","4166","10.1039/d2ob00396a","","","0.71073","MoKα","","0.1897","0.0946","","","0.2608","0.3321","","","","","","1.075","","","","has coordinates","275828","2022-06-06","02:06:21",""
"7158638","5.8525","0.0002","13.9095","0.0004","34.562","0.0008","90","","90","","90","","2813.53","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.062","0.0468","","","0.1022","0.1166","","","","","","1.057","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158639","11.4922","0.0004","11.9793","0.0004","12.31","0.0004","91.779","0.002","96.053","0.003","91.867","0.003","1683.34","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H42 N2 O4 -","- C39 H42 N2 O4 -","- C78 H84 N4 O8 -","2","2","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.0809","0.0749","","","0.2022","0.219","","","","","","1.079","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158640","6.554","0.0006","12.6859","0.0012","23.2169","0.0021","90","","97.357","0.004","90","","1914.4","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-(adamantan-1-yl)pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C24 H24 N4 -","- C24 H24 N4 -","- C96 H96 N16 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0418","0.0385","","","0.0942","0.0969","","","","","","1.035","","","","has coordinates","275058","2022-05-05","20:54:32",""
"7158641","7.7193","0.0002","19.0741","0.0006","10.7854","0.0003","90","","103.055","0.001","90","","1546.98","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-cyclohexylpyrazino[2',1':2,3]imidazo[4,5-c]isoquinolin-5-amine","","- C19 H19 N5 -","- C19 H19 N5 -","- C76 H76 N20 -","4","1","","Stahlberger, M.; Steinlein, O.; Adam, C. R.; Rotter, M.; Hohmann, J.; Nieger, M.; Köberle, B; Bräse, S","Fluorescent annulated imidazo[4,5-<i>c</i>]isoquinolines <i>via</i> a GBB-3CR/imidoylation sequence - DNA-interactions in pUC-19 gel electrophoresis mobility shift assay.","Organic & biomolecular chemistry","2022","20","17","3598","3604","10.1039/d2ob00372d","","","1.54178","CuKα","","0.0346","0.034","","","0.0848","0.0852","","","","","","1.03","","","","has coordinates","275058","2022-05-05","20:54:34",""
"7158642","10.3432","0.001","11.855","0.009","12.43","0.009","79.657","0.015","66.16","0.02","74.86","0.04","1341","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N3 O3 -","- C34 H28 N3 O3 -","- C68 H56 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.2444","0.1549","","","0.2141","0.2436","","","","","","1.17","","","","has coordinates","275821","2022-06-06","02:03:36",""
"7158643","15.4317","0.001","13.3076","0.0008","15.3933","0.0011","90","","109.518","0.003","90","","2979.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N3 O4 -","- C37 H35 N3 O4 -","- C148 H140 N12 O16 -","4","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","0.71073","MoKα","","0.107","0.0763","","","0.1812","0.2081","","","","","","1.003","","","","has coordinates","275821","2022-06-06","02:03:39",""
"7158644","8.9864","0.0005","9.7311","0.0005","18.0784","0.0009","78.844","0.004","81.754","0.004","75.67","0.004","1495.17","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C74 H66 N6 O6 -","2","1","","Cheng, Ya-Long; Wu, Guoqing; Zang, Yong-Jun; Hu, Yuan-Yang; Qin, Lu-Zhe; Wen, Xiaoan; Xu, Qing-Long","Diversity synthesis of indole derivatives <i>via</i> catalyst control cyclization reaction of 2-indolylmethanols and azonaphthalene.","Organic & biomolecular chemistry","2022","20","19","3930","3939","10.1039/d2ob00516f","","","1.54178","CuKα","","0.0635","0.0583","","","0.1712","0.1763","","","","","","1.007","","","","has coordinates","275821","2022-06-06","02:03:49",""
"7158645","8.4393","0.0002","8.5659","0.0001","14.2744","0.0004","97.421","0.002","95.373","0.002","101.685","0.002","994.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Penjarla, Thirupathi Reddy; Shukla, Adarash Kumar; Hazra, Rituparna; Roy, Durba; Kundarapu, Maheshwar; Dixit, Mudit; Bhattacharya, Anupam","Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02351A","","x-ray","1.54184","CuKα","","0.0581","0.0538","","","0.1566","0.1588","","","","","","1.115","","","","has coordinates","274599","2022-04-20","01:06:08",""
"7158646","12.837","0.0002","10.8345","0.0001","16.247","0.0002","90","","112.647","0.002","90","","2085.44","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11.56 H7.56 Cl0.44 N0.89 O1.33 -","- C11.5556 H7.55556 Cl0.444444 N0.888889 O1.33333 -","- C104 H68 Cl4 N8 O12 -","9","2.25","","Penjarla, Thirupathi Reddy; Shukla, Adarash Kumar; Hazra, Rituparna; Roy, Durba; Kundarapu, Maheshwar; Dixit, Mudit; Bhattacharya, Anupam","Copper acetate catalysed C–C bond formation en route to the synthesis of spiro indanedione cyclopropylpyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02351A","","x-ray","1.54184","CuKα","","0.0444","0.0415","","","0.1092","0.1115","","","","","","1.077","","","","has coordinates","274599","2022-04-20","01:06:09",""
"7158647","8.6434","0.0013","12.8669","0.0018","15.514","0.003","90","","99.534","0.008","90","","1701.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-sulfonyl-pyrazolo[1,5-a]pyridines","2-Phenyl-3-tosylpyrazolo[1,5-a]pyridine","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Jannapu Reddy, Raju; Sharadha, Nunavath; Haritha Kumari, Arram","Base-mediated [3 + 2]-cycloannulation strategy for the synthesis of pyrazolo[1,5-a]pyridine derivatives using (E)-β-iodovinyl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00499B","","","0.71073","MoKα","","0.0368","0.0344","","","0.0966","0.1105","","","","","","1.164","","","","has coordinates","274651","2022-04-23","00:33:04",""
"7158648","8.8225","0.0003","20.5256","0.0008","11.2425","0.0004","90","","104.621","0.001","90","","1969.94","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br F N3 O2 -","- C22 H17 Br F N3 O2 -","- C88 H68 Br4 F4 N12 O8 -","4","1","","Fu, Yiwei; Shi, Haoyu; Lei, Shengshu; Shi, Lei; Li, Hao","Cu catalyzed [4 + 2] cycloaddition for the synthesis of highly substituted 3-fluoropyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00133K","","","0.71073","MoKα","","0.0468","0.0325","","","0.079","0.0871","","","","","","1.03","","","","has coordinates","274673","2022-04-26","00:48:58",""
"7158649","7.1151","0.0001","8.4448","0.0001","21.3264","0.0002","90","","90","","90","","1281.41","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1,2,2-tetramethyl-cyclobuta-quinolin-3(1H)-one","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Takagi, Ryukichi; Tanimoto, Takaaki","Enantioselective [2 + 2] photocycloaddition of quinolone using a <i>C</i><sub>1</sub>-symmetric chiral phosphoric acid as a visible-light photocatalyst.","Organic & biomolecular chemistry","2022","20","19","3940","3947","10.1039/d2ob00607c","","x-ray","1.54184","CuKα","","0.0304","0.0295","","","0.0765","0.0773","","","","","","1.02","","","","has coordinates","275820","2022-06-06","02:03:25",""
"7158650","20.4662","0.0003","20.4662","0.0003","5.0315","0.0001","90","","90","","90","","2107.52","0.06","100","0.1","100","0.1","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C21 H26 Co N2 O5 -","- C21 H26 Co N2 O5 -","- C84 H104 Co4 N8 O20 -","4","0.5","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","1.54184","CuKα","","0.0475","0.0393","","","0.0989","0.1077","","","","","","1.069","","","","has coordinates","275822","2022-06-06","02:04:06",""
"7158651","8.7844","0.0001","10.2193","0.0001","18.8935","0.0002","75.495","0.001","84.894","0.001","88.497","0.001","1635.49","0.03","99.96","0.02","99.96","0.02","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","2","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","Synchrotron","","0.1028","0.0673","","","0.1844","0.212","","","","","","1.053","","","","has coordinates","275822","2022-06-06","02:04:16",""
"7158652","8.3632","0.0001","10.7798","0.0001","12.6342","0.0002","67.34","0.001","80.523","0.001","88.594","0.001","1035.8","0.02","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C44 H60 N4 O10 -","2","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0492","0.0408","","","0.1172","0.1223","","","","","","1.041","","","","has coordinates,has disorder","275822","2022-06-06","02:04:19",""
"7158653","7.9465","0.0001","26.3631","0.0003","11.4522","0.0002","90","","92.613","0.001","90","","2396.68","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Co N2 O6 -","- C26 H31 Co N2 O6 -","- C104 H124 Co4 N8 O24 -","4","1","","Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.","Synthesis of acyloin natural products by Mukaiyama hydration.","Organic & biomolecular chemistry","2022","20","19","4038","4047","10.1039/d2ob00651k","","x-ray","0.71073","MoKα","","0.0942","0.0503","","","0.112","0.1269","","","","","","1.03","","","","has coordinates","275822","2022-06-06","02:04:25",""
"7158654","19.378","0.002","4.9594","0.0002","18.3832","0.0015","90","","116.058","0.012","90","","1587.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71073","MoKα","K-L~3~","0.0878","0.0542","","","0.1249","0.1447","","","","","","1.038","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158655","7.2068","0.0002","15.1888","0.0003","15.2406","0.0002","74.263","0.002","85.817","0.002","76.699","0.002","1562.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N3 O3 S -","- C16 H19 N3 O3 S -","- C64 H76 N12 O12 S4 -","4","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0377","0.0362","","","0.1028","0.1054","","","","","","1.123","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158656","7.1082","0.0001","14.5273","0.0002","31.578","0.0005","90","","90","","90","","3260.84","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.0533","","","0.1274","0.1309","","","","","","1.086","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158657","31.8053","0.0005","14.6164","0.0003","7.2574","0.0001","90","","90","","90","","3373.81","0.1","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H19 Cl N4 O3 -","- C17 H19 Cl N4 O3 -","- C136 H152 Cl8 N32 O24 -","8","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","K-L~3~","0.0419","0.034","","","0.086","0.0895","","","","","","1.026","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158658","13.0873","0.0002","12.461","0.0002","14.1989","0.0002","90","","95.111","0.002","90","","2306.36","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N3 O4 -","- C26 H31 N3 O4 -","- C104 H124 N12 O16 -","4","1","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","0.71075","MoKα","","0.0597","0.0496","","","0.133","0.139","","","","","","1.026","","","","has coordinates,has disorder","275823","2022-06-06","02:04:45",""
"7158659","14.5932","0.0001","7.2583","0.0001","31.5918","0.0004","90","","102.749","0.001","90","","3263.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F N4 O3 -","- C17 H19 F N4 O3 -","- C136 H152 F8 N32 O24 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0424","","","0.1036","0.1054","","","","","","1.117","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158660","36.572","0.004","5.7581","0.0006","18.4236","0.0019","90","","106.802","0.003","90","","3714.1","0.7","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","1","","Wan, Huiyang; Xia, Shuangshuang; Liu, Xinghua; Jian, Yongchan; An, Yuanyuan; Wang, Yubin","Synthesis of spirocyclic oxazole derivatives from 2-arylidene cycloalkanones and α-halohydroxamates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00701K","","","0.71073","MoKα","","0.065","0.0471","","","0.1103","0.1209","","","","","","1.042","","","","has coordinates","274825","2022-05-03","01:06:36",""
"7158661","16.161","0.003","11.81","0.002","18.957","0.003","90","","100.689","0.003","90","","3555.4","1.1","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-(4-(3,3-dicyano-1-(1H-indol-1-yl)allylidene)cyclohexa-2,5-dien-1-ylidene)malononitrile","MJ 2-12-1","","- C22 H11 N5 -","- C22 H11 N5 -","- C176 H88 N40 -","8","1","","Huang, Shuangping; Ma, Jing; Yi, Yikun; Li, Mingtao; Cai, Ping; Wu, Na","Synthesis of orthogonal push-pull chromophores <i>via</i> click reaction of arylynamines.","Organic & biomolecular chemistry","2022","20","20","4081","4085","10.1039/d2ob00677d","","","0.71073","MoKα","","0.0778","0.0532","","","0.1293","0.1459","","","","","","0.946","","","","has coordinates","275831","2022-06-06","02:06:40",""
"7158662","15.5676","0.0005","13.8531","0.0003","26.8877","0.001","90","","99.841","0.003","90","","5713.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","1","","Zhou, Tingting; Zheng, Anquan; Zhang, Wenge; Lu, Xiuxiang; Chen, Huiyu; Tan, Haibo","Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations.","Organic & biomolecular chemistry","2022","20","20","4096","4100","10.1039/d2ob00634k","","x-ray","1.54184","CuKα","","0.0845","0.061","","","0.149","0.1618","","","","","","1.057","","","","has coordinates,has disorder","275830","2022-06-06","02:06:34",""
"7158663","9.581","0.001","11.381","0.001","10.941","0.001","90","","103.15","0.02","90","","1161.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Iodine-TBHP mediated efficient synthesis of α-ketoamides from vinyl azides and amines under mild conditions.","Organic & biomolecular chemistry","2022","20","19","3907","3912","10.1039/d2ob00458e","","","0.71073","MoKα","","0.069","0.051","","","0.1508","0.1715","","","","","","0.955","","","","has coordinates","275824","2022-06-06","02:04:51",""
"7158664","9.6026","0.0002","12.0411","0.0003","14.2206","0.0004","90","","90","","90","","1644.27","0.07","100","0.3","100","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.","peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00674J","","x-ray","1.54184","CuKα","","0.0366","0.0335","","","0.09","0.0918","","","","","","1.052","","","","has coordinates","274903","2022-05-05","00:36:14",""
"7158665","8.974","0.0003","10.1567","0.0003","11.2275","0.0003","72.713","0.002","89.359","0.002","80.928","0.002","964.2","0.05","99.8","0.9","100","2","","","","","","","","3","P -1","-P 1","2","","N,N,1-trimethyl-4-(naphthalen-1-yl)-1,2,3,4-tetrahydrobenzo[h]quinazolin-10-amine","","- C25 H25 N3 -","- C25 H25 N3 -","- C50 H50 N6 -","2","1","","Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.","peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00674J","","x-ray","1.54184","CuKα","","0.0469","0.042","","","0.1144","0.1199","","","","","","1.057","","","","has coordinates","274903","2022-05-05","00:36:15",""
"7158666","7.6918","0.0002","7.7847","0.0002","13.7184","0.0003","90.026","0.002","97.054","0.002","114.557","0.003","740.27","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C38 H28 N4 O2 S2 -","2","1","","Meena, Neha; Dhiman, Shiv; Rangan, Krishnan; Kumar, Anil","Cobalt-catalyzed tandem one-pot synthesis of polysubstituted imidazo[1,5-<i>a</i>]pyridines and imidazo[1,5-<i>a</i>]isoquinolines.","Organic & biomolecular chemistry","2022","20","20","4215","4223","10.1039/d2ob00526c","","x-ray","1.54184","CuKα","","0.0505","0.0487","","","0.1375","0.1397","","","","","","1.113","","","","has coordinates,has disorder","275829","2022-06-06","02:06:26",""
"7158667","8.1752","0.0001","10.1853","0.0001","22.075","0.0002","90","","90","","90","","1838.12","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0714","0.0716","","","","","","1.066","","","","has coordinates,has disorder","275091","2022-05-06","00:29:57",""
"7158668","13.9823","0.0004","7.7311","0.0002","17.3343","0.0005","90","","92.675","0.003","90","","1871.77","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","2","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0894","0.0811","","","0.202","0.2126","","","","","","1.041","","","","has coordinates","275091","2022-05-06","00:29:58",""
"7158669","15.3058","0.0005","6.108","0.0002","28.2912","0.0009","90","","101.503","0.003","90","","2591.76","0.15","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C128 H80 O40 -","8","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0444","0.0382","","","0.0985","0.1044","","","","","","1.0486","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158670","4.4392","0.0001","6.5027","0.0001","22.2547","0.0003","90","","91.313","0.001","90","","642.25","0.02","298","","298","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C32 H20 O10 -","2","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0284","0.0283","","","0.0744","0.0747","","","","","","1.1546","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158671","9.5567","0.0001","18.5529","0.0003","9.7023","0.0001","90","","91.647","0.001","90","","1719.55","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F6 N3 O -","- C17 H17 F6 N3 O -","- C68 H68 F24 N12 O4 -","4","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.0424","0.0385","","","0.1074","0.1114","","","","","","1.063","","","","has coordinates","275169","2022-05-07","00:28:09",""
"7158672","6.1777","0.0002","8.801","0.0003","22.3052","0.0008","81.551","0.003","85.313","0.003","80.624","0.003","1181.47","0.07","93","","93","","","","","","","","","6","P -1","-P 1","2","","FY-005_7","","- C19 H22 F12 N3 O P -","- C19 H22 F12 N3 O P -","- C38 H44 F24 N6 O2 P2 -","2","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.094","0.0708","","","0.1978","0.2158","","","","","","1.044","","","","has coordinates","275169","2022-05-07","00:28:10",""
"7158673","55.7279","0.0019","8.6632","0.0002","9.3599","0.0003","90","","90","","90","","4518.8","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","FY-005_3","","- C18.5 H22 F12 N3 O1.5 P -","- C18.5 H22 F12 N3 O1.5 P -","- C148 H176 F96 N24 O12 P8 -","8","2","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.1125","0.0834","","","0.2318","0.2608","","","","","","1.036","","","","has coordinates,has disorder","275169","2022-05-07","00:28:10",""
"7158674","5.5656","0.0002","18.4733","0.0005","22.5869","0.0007","90","","90.732","0.003","90","","2322.08","0.13","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 N4 O2 -","- C23 H28 F6 N4 O2 -","- C92 H112 F24 N16 O8 -","4","1","","Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru","Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00546H","","x-ray","1.54184","CuKα","","0.0748","0.0681","","","0.1824","0.1877","","","","","","1.07","","","","has coordinates","275169","2022-05-07","00:28:10",""
"7158675","19.615","0.004","6.752","0.0014","13.402","0.003","90","","114.86","0.03","90","","1610.5","0.7","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H50 N4 O11 -","- C28 H50 N4 O11 -","- C56 H100 N8 O22 -","2","0.5","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.0263","0.0262","","","0.0713","0.0714","","","","","","1.065","","","","has coordinates","275170","2022-05-07","00:29:02",""
"7158676","22.947","0.003","22.947","0.003","5.612","0.0011","90","","90","","90","","2955.1","0.8","100","2","100","","","","","","","","","4","I 4","I 4","79","","","","- C56 H88 N8 O16 -","- C56 H80 N8 O16 -","- C112 H160 N16 O32 -","2","0.25","","Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia","Dipeptide self-assembly into water-channels and gel biomaterial","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00622G","","","0.7","Synchrotron","","0.102","0.0661","","","0.1683","0.1921","","","","","","1.043","","","","has coordinates,has disorder","275170","2022-05-07","00:29:03",""
"7158677","17.402","0.004","11.109","0.002","25.127","0.01","90","","101.82","0.03","90","","4755","2","290","","290","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C27 H23 N3 O3 S -","- C27 H23 N3 O3 S -","- C216 H184 N24 O24 S8 -","8","1","","Yavari, Issa; Ghorbanzadeh , Meysam; Akbarzadeh, Somayeh","A synthesis of 2-amino-3-cyanopyrroles from terminal alkynes, sulfonyl azides and phenacylmalononitriles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00277A","","x-ray","0.71073","MoKα","","0.0628","0.0512","","","0.1263","0.1318","","","","","","1.089","","","","has coordinates","275211","2022-05-08","00:16:45",""
"7158678","10.5429","0.0011","10.9205","0.001","11.7539","0.0012","65.707","0.01","75.725","0.009","64.564","0.01","1109.9","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N O3 P -","- C29 H20 N O3 P -","- C58 H40 N2 O6 P2 -","2","1","","Peng, Lingteng; Hu, Zhifang; Zhao, Yanting; Peng, Lifen; Xu, Zhi; Yin, Shuang-Feng; Tang, Zilong; Qiu, Renhua; Kambe, Nobuaki","One-pot synthesis of phosphorylnaphth[2,1-<i>d</i>]oxazoles and products as P,N-ligands in C-N and C-C formation.","Organic & biomolecular chemistry","2022","20","20","4110","4114","10.1039/d2ob00565d","","x-ray","0.71073","MoKα","","0.0484","0.0408","","","0.0927","0.098","","","","","","1.016","","","","has coordinates","275827","2022-06-06","02:06:06",""
"7158679","7.1188","0.0002","10.3636","0.0003","12.8288","0.0004","101.608","0.003","91.454","0.002","100.64","0.003","909.24","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (2R)-3-hydroxy-2-methyl-3-(4-(trifluoromethyl)phenyl)-2-(3,4,5-trifluorophenyl)propanoate","","- C19 H16 F6 O3 -","- C19 H16 F6 O3 -","- C38 H32 F12 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","x-ray","1.54184","CuKα","","0.0668","0.0553","","","0.1386","0.1468","","","","","","1.047","","","","has coordinates,has disorder","275286","2022-05-10","00:31:17",""
"7158680","9.1068","0.0003","13.2125","0.0004","18.2143","0.0007","90","","93.148","0.003","90","","2188.3","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-ethoxy-6-(4-fluorophenyl)-2,2-bis(perfluorophenyl)-2<i>H</i>-1,3λ^3^,2λ^4^-dioxaborinine","","- C23 H10 B F11 O3 -","- C23 H10 B F11 O3 -","- C92 H40 B4 F44 O12 -","4","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","1.54178","CuKα","","0.0571","0.041","","","0.1062","0.1197","","","","","","1.022","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158681","5.8206","0.0003","17.0082","0.0009","18.1536","0.001","63.134","0.005","87.435","0.004","88.496","0.004","1601.55","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","ethyl (2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-(perfluorophenyl)propanoate","","- C17 H12 F6 O3 -","- C17 H12 F6 O3 -","- C68 H48 F24 O12 -","4","2","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.105","0.0594","","","0.1408","0.1702","","","","","","1.037","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158682","8.0494","0.0007","9.9716","0.0007","11.4118","0.0007","113.593","0.006","103.792","0.007","90.918","0.007","808.79","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","ethyl(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)propanoate","","- C18 H16 F4 O3 -","- C18 H16 F4 O3 -","- C36 H32 F8 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.0566","0.0383","","","0.081","0.0922","","","","","","1.039","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158683","7.8551","0.0004","7.9171","0.0004","17.1195","0.0013","101.373","0.006","99.385","0.005","101.484","0.005","999.91","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(perfluorophenyl)-1-(o-tolyl)prop-1-en-1-yl 2-methylbenzoate","","- C24 H17 F5 O2 -","- C24 H17 F5 O2 -","- C48 H34 F10 O4 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.1181","0.0875","","","0.2336","0.2558","","","","","","1.094","","","","has coordinates","275286","2022-05-10","00:31:18",""
"7158684","9.452","0.0005","10.4243","0.0009","10.936","0.0007","71.015","0.007","74.269","0.005","66.462","0.007","921.66","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","ethyl (2S,3R)-3-hydroxy-2-methyl-2-(perfluorophenyl)-3-(4-(trifluoromethyl)phenyl)propanoate","","- C19 H14 F8 O3 -","- C19 H14 F8 O3 -","- C38 H28 F16 O6 -","2","1","","Kaehler, Tanja; Lorenz, Jonas; Ould, Darren; Engl, Dorothea; Santi, Micol; Gierlichs, Lukas; Wirth, Thomas; Melen, Rebecca","Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00643J","","","0.71073","MoKα","","0.0503","0.0379","","","0.0881","0.0967","","","","","","1.047","","","","has coordinates,has disorder","275286","2022-05-10","00:31:18",""
"7158685","8.5101","0.0003","9.0807","0.0003","9.5903","0.0003","77.657","0.001","83.055","0.001","88.402","0.001","718.67","0.04","170","2","170.02","","","","","","","","","4","P -1","-P 1","2","","avicenine A","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0425","0.0391","","","0.1024","0.1055","","","","","","1.046","","","","has coordinates","275826","2022-06-06","02:05:42",""
"7158686","9.7252","0.0004","7.2357","0.0003","10.0005","0.0004","90","","98.737","0.002","90","","695.56","0.05","170","2","170.04","","","","","","","","","4","P 1 21 1","P 2yb","4","","(-)-avicenine A","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C30 H34 N2 O10 -","2","1","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0401","0.0351","","","0.0812","0.0869","","","","","","1.051","","","","has coordinates","275826","2022-06-06","02:05:54",""
"7158687","8.5948","0.0003","8.5216","0.0003","18.7212","0.0006","90","","100.035","0.001","90","","1350.19","0.08","170","2","169.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-Myrtopsine","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min","Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.","Organic & biomolecular chemistry","2022","20","20","4176","4182","10.1039/d2ob00711h","","","1.34139","GaKα","","0.0361","0.0331","","","0.0843","0.0874","","","","","","1.065","","","","has coordinates","275826","2022-06-06","02:05:56",""
"7158688","10.2432","0.0006","11.1049","0.0006","11.684","0.0006","72.079","0.005","78.101","0.005","83.806","0.005","1235.98","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Cl3 N3 O2 S -","- C27 H20 Cl3 N3 O2 S -","- C54 H40 Cl6 N6 O4 S2 -","2","1","","Pan, Bin; Li, Ao; Liu, Dong; Ni, QingShan; Liang, Wu; Du, Fei; Gu, Jing; ouyang, qin","Highly Diastereoselective Synthesis of Benzothiazolo[3,2-a]pyridines via [4 + 2] Annulation Reaction of 2-Vinylbenzothiazoles and Azlactones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00618A","","x-ray","0.71073","MoKα","","0.0642","0.0437","","","0.1011","0.1145","","","","","","1.04","","","","has coordinates","275315","2022-05-11","00:34:54",""
"7158689","13.649","0.003","14.265","0.003","11.97","0.002","90","","112.46","0.03","90","","2153.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C96 H76 N4 O24 S4 -","4","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.1274","0.0492","","","0.0902","0.1075","","","","","","1.028","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158690","6.887","0.0004","8.0452","0.0006","12.486","0.001","91.227","0.003","91.751","0.003","113.005","0.002","636.08","0.08","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O3 -","- C15 H11 Br O3 -","- C30 H22 Br2 O6 -","2","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.1005","0.0467","","","0.0997","0.1145","","","","","","1.026","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158691","7.106","0.01","7.215","0.011","13.194","0.019","104.92","0.06","94.22","0.07","111.29","0.06","598.5","1.6","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 Br O2 -","- C15 H9 Br O2 -","- C30 H18 Br2 O4 -","2","1","","Zhaojiang, Shi; Li, Nan; Wang, Wei-Zhen; Lu, Hao-Kuan; Yuan, Yaofeng; Li, Zhen; Ye, Ke-Yin","Electrochemical 5-exo-dig aza-cyclization of 2-alkynylbenzamides toward 3-hydroxyisoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00637E","","","0.71073","MoKα","","0.0572","0.0423","","","0.0973","0.1036","","","","","","1.082","","","","has coordinates","275316","2022-05-11","00:35:37",""
"7158692","10.8392","0.001","6.9083","0.0006","13.2119","0.0011","90","","108.035","0.003","90","","940.71","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O4 -","- C21 H14 N2 O4 -","- C42 H28 N4 O8 -","2","1","","Naharwal, Sushma; Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Bajaj, Kiran; Mandal, Sanjay; Sakhuja, Rajeev","Ruthenium-Catalyzed (Spiro)Annulation of N-Aryl-2,3-dihydrophthalazine-1,4-diones with Quinones to Access Pentacyclic Spiro-Indazolones and Fused-Cinnolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00493C","","","0.71073","MoKα","","0.1613","0.1454","","","0.3853","0.4103","","","","","","1.706","","","","has coordinates","275355","2022-05-12","00:35:57",""
"7158693","14.6927","0.0006","6.0979","0.0002","20.1721","0.0008","90","","104.333","0.001","90","","1751.06","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","chlorophenyl phenyl phenylsalanyl oxazol","3-(4-chlorophenyl)-5-phenyl-4-(phenylsalanyl)oxazol-3(3H)-one","","- C21 H14 Cl N O2 Se -","- C21 H14 Cl N O2 Se -","- C84 H56 Cl4 N4 O8 Se4 -","4","1","","Goulart, Tales; Recchi, Ana; Back, Davi Fernando; Zeni, Gilson","Synthesis of 4-(Organoselenyl) Oxazolones via Cyclization of N-Alkynyl Ethylcarbamates Promoted by Organoselenium","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00682K","","","0.71073","MoKα","","0.0195","0.0178","","","0.0466","0.0479","","","","","","1.062","","","","has coordinates","275390","2022-05-13","00:39:45",""
"7158694","9.928","0.002","11.674","0.002","12.353","0.003","81.04","0.03","82.19","0.03","78.4","0.03","1377.2","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N3 O4 S -","- C31 H34 N3 O4 S -","- C62 H68 N6 O8 S2 -","2","1","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.0635","0.0575","","","0.141","0.1452","","","","","","1.115","","","","has coordinates","275832","2022-06-06","02:06:45",""
"7158695","9.868","0.002","11.707","0.002","12.318","0.003","80.18","0.03","82.46","0.03","76.91","0.03","1359.4","0.5","163","2","163.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","- C62 H68 N6 O6 S2 -","1","0.5","","Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones.","Organic & biomolecular chemistry","2022","20","20","4086","4090","10.1039/d2ob00535b","","","0.71073","MoKα","","0.076","0.0696","","","0.1819","0.1877","","","","","","1.095","","","","has coordinates","275832","2022-06-06","02:06:46",""
"7158696","8.777","0.004","9.47","0.004","10.205","0.004","110.956","0.01","90.069","0.01","90.054","0.01","792.1","0.6","293","","293","","","","","","","","","5","P 1","P 1","1","","(S)-4-((R)-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl)-4-phenyl-1,3-dioxolan-2-one","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C36 H28 Cl2 N2 O8 -","2","2","","Sathish, Elagandhula; Ansari, Arshad J.; Joshi, Gaurav; Pandit, Akansha; Shukla, Monika; Kumari, Neha; Sharon, Ashoke; Verma, Ved Prakash; Sawant, Devesh M.","Pd-catalysed [3+2]-Cycloaddition towards the generation of bioactive bis-heterocycles/Identification of COX-2 inhibitors via in silico analysis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00467D","","","0.71073","MoKα","","0.0758","0.0486","","","0.0842","0.0958","","","","","","1.128","","","","has coordinates","275469","2022-05-17","00:36:26",""
"7158697","9.0386","0.0004","10.9319","0.0005","13.2664","0.0006","75.768","0.002","71.588","0.002","87.843","0.002","1204.42","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C54 H58 N2 O8 -","2","1","","Singh, Prasoon Raj; Gopal, Braj; Kumar, Madan; Goswami, Avijit","A metal-free BF<sub>3</sub>·OEt<sub>2</sub> mediated chemoselective protocol for the synthesis of propargylic cyclic imines.","Organic & biomolecular chemistry","2022","20","24","4933","4941","10.1039/d2ob00530a","","","0.71073","MoKα","","0.0859","0.0568","","","0.144","0.1655","","","","","","1.024","","","","has coordinates","276674","2022-07-06","08:37:01",""
"7158698","3.8833","0.0004","16.3577","0.0013","23.692","0.002","90","","90.16","0.004","90","","1505","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1234","0.0609","","","0.1041","0.1229","","","","","","1.028","","","","has coordinates","276676","2022-07-06","08:37:42",""
"7158699","4.0812","0.0008","17.973","0.003","19.807","0.004","90","","90","","90","","1452.9","0.5","293.31","","293.31","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1222","0.0981","","","0.2533","0.2696","","","","","","1.102","","","","has coordinates","276676","2022-07-06","08:37:48",""
"7158700","9.4644","0.0005","12.0676","0.0007","15.1154","0.0008","88.701","0.002","78.029","0.002","82.275","0.002","1673.47","0.16","120","2","120.02","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 Li8 N4 O12 -","- C64 H96 Li8 N4 O12 -","- C64 H96 Li8 N4 O12 -","1","0.5","","Zhou, Shuai; Xu, Xiaojuan; Zhu, Xu; Zheng, Yu; Chen, Sufang; Xue, Mingqiang","A facile approach to C-functionalized β-ketoimine compounds via terminal alkylation of a tetralithiated intermediate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00640E","","","0.71073","MoKα","","0.1169","0.0585","","","0.1248","0.1546","","","","","","1.031","","","","has coordinates","275472","2022-05-17","00:38:05",""
"7158701","10.4007","0.0011","13.6605","0.0015","17.5771","0.0019","99.394","0.003","94.887","0.003","93.08","0.003","2449.1","0.5","128.01","","128.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Li2 N2 O4 -","- C24 H34 Li2 N2 O4 -","- C96 H136 Li8 N8 O16 -","4","2","","Zhou, Shuai; Xu, Xiaojuan; Zhu, Xu; Zheng, Yu; Chen, Sufang; Xue, Mingqiang","A facile approach to C-functionalized β-ketoimine compounds via terminal alkylation of a tetralithiated intermediate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00640E","","","0.71073","MoKα","","0.1825","0.0969","","","0.2569","0.3327","","","","","","1.03","","","","has coordinates","275472","2022-05-17","00:38:06",""
"7158702","11.8311","0.0003","12.9022","0.0003","14.4374","0.0003","75.339","0.002","70.665","0.002","78.677","0.002","1996.47","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C100 H84 N4 O20 -","4","2","","Hong, Kemiao; Yang, Xiangji; Zhang, Zhijing; Xie, Xiongda; Lv, Xin; Xu, Xinfang; Hu, Wenhao","Diastereoselective aldol-type interception of phenolic oxonium ylides for the direct assembly of 2,2-disubstituted dihydrobenzofurans.","Organic & biomolecular chemistry","2022","20","22","4635","4639","10.1039/d2ob00723a","","x-ray","1.54184","CuKα","","0.0469","0.041","","","0.1026","0.1059","","","","","","1.039","","","","has coordinates","276675","2022-07-06","08:37:14",""
"7158703","11.0633","0.0006","18.6689","0.001","14.535","0.0008","90","","99.768","0.005","90","","2958.5","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C36H30N4O3","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C144 H120 N16 O12 -","4","1","","Kaur, Ramandeep; Banga, Shefali; Babu, Srinivasarao Arulananda","Construction of carbazole-based unnatural amino acid scaffolds via Pd(ii)-catalyzed C(sp3)–H functionalization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00658H","","x-ray","0.71073","MoKα","","0.1806","0.0775","","","0.2018","0.2813","","","","","","1.001","","","","has coordinates","275534","2022-05-19","00:41:40",""
"7158704","11.125","0.0004","13.07","0.0006","14.0121","0.0006","77.779","0.004","79.315","0.003","84.97","0.003","1954.23","0.15","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N4 O3 -","- C44 H30 N4 O3 -","- C88 H60 N8 O6 -","2","1","","Kaur, Ramandeep; Banga, Shefali; Babu, Srinivasarao Arulananda","Construction of carbazole-based unnatural amino acid scaffolds via Pd(ii)-catalyzed C(sp3)–H functionalization","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00658H","","x-ray","0.71073","MoKα","","0.1838","0.0744","","","0.1937","0.2895","","","","","","0.897","","","","has coordinates","275534","2022-05-19","00:41:40",""
"7158705","12.0767","0.0004","7.789","0.0002","22.3524","0.0006","90","","101.996","0.001","90","","2056.67","0.1","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C108 H88 N8 -","4","1","","Thavaselvan, Sampath; Parthasarathy, Kanniyappan","Nickel-catalyzed [2 + 2 + 2] benzannulation of alkynes: a new route to the synthesis of highly substituted naphthalenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00513A","","","1.54178","CuKα","","0.0675","0.0623","","","0.213","0.2269","","","","","","0.881","","","","has coordinates","275535","2022-05-19","00:42:10",""
"7158706","11.5593","0.0007","15.3247","0.001","12.0108","0.0007","90","","90.874","0.002","90","","2127.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C84 H92 N12 O28 -","4","1","","Li, Fu-Qiang; Xie, Pu-Yuan; Chen, Huiyu; Bian, Ming; Gao, Yu-Ning; Liu, Zhen-Jiang","One-pot Catalyst-free Synthesis of Benzopyrroxazine Derivatives by a Mutually Activated Sequential Annulation Process","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00735E","","","0.71073","MoKα","","0.1187","0.0967","","","0.2813","0.3128","","","","","","1.028","","","","has coordinates","275536","2022-05-19","00:42:33",""
"7158707","7.1109","0.0002","10.9261","0.0004","16.7893","0.0005","90","","93.492","0.001","90","","1302.01","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DKU-20211220","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Shin, Ho Suk; Moon, Da Yoon; An, Sejin; Park, Bong Ser","Solvent assisted photochemical formation of a new keto[3,3]paracyclophane.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob00660j","","","0.71073","MoKα","","0.1011","0.0501","","","0.1357","0.2041","","","","","","1.001","","","","has coordinates","275590","2022-05-21","00:42:11",""
"7158708","12.6101","0.0006","13.2345","0.0004","10.6349","0.0005","90","","110.857","0.005","90","","1658.54","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N O4 S -","- C18 H16 F N O4 S -","- C72 H64 F4 N4 O16 S4 -","4","1","","Zhu, Dongyu; Chen, Yuan; Zhang, Xue-jing; Yan, Ming","Regioselective conjugate addition of isoxazol-5-ones to ethenesulfonyl fluoride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00737A","","x-ray","1.54184","CuKα","","0.0569","0.0482","","","0.1287","0.1358","","","","","","1.052","","","","has coordinates","275621","2022-05-24","00:34:40",""
"7158709","11.3481","0.0001","14.9237","0.0002","19.9392","0.0003","90","","90","","90","","3376.82","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","2","","Sun, Mohan; Ma, Xianjie; Shao, Siyuan; Jiang, Jianwei; Li, Jiaan; Tian, Jinying; Zhang, Jianjun; Li, Li; Ye, Fei; Li, Shuai","Atropisomeric 9,10-dihydrophenanthrene/bibenzyl trimers with anti-inflammatory and PTP1B inhibitory activities from Bletilla striata","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00489E","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0865","0.0879","","","","","","1.053","","","","has coordinates","275653","2022-05-26","00:43:48",""
"7158710","10.301","0.002","11.919","0.002","22.143","0.004","90","","100.5","0.03","90","","2673.1","0.9","298","","298","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","Guanidine mercury iodide","Guanidinium heptaiododimercurate(II)","","- C3 H18 Hg2 I7 N9 -","- C3 H18 Hg2 I7 N9 -","- C12 H72 Hg8 I28 N36 -","4","0.5","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.1853","0.039","","0.1","0.084","0.0853","","","0.52","","","1.042","","","","has coordinates","276673","2022-07-06","08:36:30",""
"7158711","10.3298","0.0004","13.1904","0.0004","22.5489","0.0006","90","","90","","90","","3072.38","0.17","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 N3 Ni O4 -","- C37 H35 N3 Ni O4 -","- C148 H140 N12 Ni4 O16 -","4","1","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.028","0.0247","","","0.0567","0.058","","","","","","1.033","","","","has coordinates","276673","2022-07-06","08:36:43",""
"7158712","9.7302","0.0003","15.9096","0.0004","17.8875","0.0007","90","","92.761","0.003","90","","2765.83","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 B Br O2 P -","- C31 H33 B Br O2 P -","- C124 H132 B4 Br4 O8 P4 -","4","1","","Mancinelli, Joseph P.; Liu, SB; Wilkerson-Hill, Sidney M","Relative Rates of Alkylation for B-Substituted Triarylphosphines: An ortho-Boron Group Enhances Reactivity on Phosphorus.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00505K","","","0.71073","MoKα","","0.0863","0.0465","","0.1485","0.1053","0.1484","","","","","","1.0242","","","","has coordinates","275676","2022-05-28","00:31:32",""
"7158713","17.4162","0.0016","11.9045","0.0011","34.111","0.003","90","","90","","90","","7072.3","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H23 N3 O4 -","- C37 H23 N3 O4 -","- C296 H184 N24 O32 -","8","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1964","0.0859","","","0.2212","0.2761","","","","","","1.023","","","","has coordinates","276672","2022-07-06","08:34:57",""
"7158714","8.5047","0.0011","27.831","0.004","10.6483","0.0015","90","","107.629","0.004","90","","2402","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H20 O5 -","- C35 H20 O5 -","- C140 H80 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1941","0.0659","","","0.1091","0.146","","","","","","1.01","","","","has coordinates","276672","2022-07-06","08:35:07",""
"7158715","7.992","0.003","8.725","0.003","17.432","0.006","87.327","0.011","79.388","0.012","89.684","0.011","1193.4","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H20 O4 -","- C35 H20 O4 -","- C70 H40 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1546","0.0651","","","0.1094","0.1271","","","","","","0.984","","","","has coordinates","276672","2022-07-06","08:35:11",""
"7158716","8.297","0.0004","12.8462","0.0007","13.7948","0.0007","114.993","0.0016","93.9003","0.0016","100.751","0.0018","1291.33","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 O4 -","- C37 H24 O4 -","- C74 H48 O8 -","2","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0936","0.0512","","","0.1148","0.1336","","","","","","1.021","","","","has coordinates","276672","2022-07-06","08:35:24",""
"7158717","18.978","0.002","12.483","0.0013","11.7028","0.0012","90","","94.907","0.003","90","","2762.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1616","0.0588","","","0.119","0.1569","","","","","","1.006","","","","has coordinates,has disorder","276672","2022-07-06","08:35:29",""
"7158718","10.5877","0.0014","12.8107","0.0016","18.985","0.003","90","","91.436","0.005","90","","2574.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 N2 O3 -","- C35 H22 N2 O3 -","- C140 H88 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.082","0.0465","","","0.0943","0.109","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:40",""
"7158719","9.7066","0.0006","12.5713","0.0007","23.8206","0.0014","90","","100.881","0.002","90","","2854.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N2 O3 -","- C38 H28 N2 O3 -","- C152 H112 N8 O12 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.0807","0.0469","","","0.1061","0.1197","","","","","","1.026","","","","has coordinates","276672","2022-07-06","08:35:44",""
"7158720","12.9685","0.0009","13.8484","0.0011","20.7097","0.0016","90","","93.367","0.002","90","","3712.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H25 N O5 -","- C42 H25 N O5 -","- C168 H100 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.135","0.0595","","","0.1421","0.1739","","","","","","1.034","","","","has coordinates","276672","2022-07-06","08:35:56",""
"7158721","13.3642","0.0011","14.9517","0.0012","20.5922","0.0015","90","","90.279","0.002","90","","4114.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H27 N O5 -","- C43 H27 N O5 -","- C172 H108 N4 O20 -","4","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1722","0.0622","","","0.1425","0.1831","","","","","","0.975","","","","has coordinates","276672","2022-07-06","08:35:59",""
"7158722","12.8323","0.0013","19.3019","0.0019","8.5975","0.0008","90","","101.276","0.01","90","","2088.4","0.4","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Yang, Xiao; Xia, Yanping; Tong, Jinghui; Ouyang, Lu; Lai, Yinlong; Luo, Renshi; Liao, Jianhua","Photo-induced Radical Cascade Cyclization of Acetylenic Acid Ester with Oxime Esters to Access Cyanalkylated Coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00612J","","x-ray","0.71073","MoKα","","0.075","0.0576","","","0.1446","0.1581","","","","","","1.046","","","","has coordinates","275753","2022-06-03","00:39:16",""
"7158723","9.6668","0.0006","13.1481","0.0007","13.9023","0.0009","91.153","0.002","94.071","0.002","104.497","0.002","1705.09","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Xu, Wenke; Guo, Jiangming; Liu, Chang-Hong; Sun, Jianting; Lv, Min; Wei, Bangguo","AgNTf2 Catalyzed Cycloaddition of N-Acyliminium ions with Alkynes for the Synthesis of 3,4-Dihydro-1,3-oxazin-2-one Skeleton","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00900E","","","0.71073","MoKα","","0.1155","0.0639","","","0.1495","0.1848","","","","","","1.036","","","","has coordinates,has disorder","275754","2022-06-03","00:39:40",""
"7158724","9.0271","0.0006","10.9083","0.0006","11.1404","0.0008","90","","105.79","0.007","90","","1055.6","0.12","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 Cl2 N3 O2 S2 -","- C22 H17 Cl2 N3 O2 S2 -","- C44 H34 Cl4 N6 O4 S4 -","2","1","","Liu, Ren-Ming; Zhang, Min; Han, Xiao-Xue; Liu, Xiong-Li; Pan, Bo-Wen; Tian, You-Ping; Peng, Li-Jun; Yuan, Weicheng","Catalytic asymmetric Michael/cyclization of 3 isothiocyanato thiobutyrolactone: an approach to the construction of a library of bispiro[pyrazolone-thiobutyrolactone] skeletons","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00773H","","x-ray","0.71073","MoKα","","0.0416","0.0359","","","0.0685","0.0709","","","","","","0.978","","","","has coordinates","275935","2022-06-09","00:42:51",""
"7158725","22.1744","0.0009","7.6768","0.0003","29.6328","0.0013","90","","98.428","0.004","90","","4989.9","0.4","113.15","","113.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C216 H240 N16 O40 -","8","1","","Zhao, Hong-Wu; Zhang, Heng; Cai, Lu-Yu; Wang, Kuo","Pd-Catalyzed Three-Component Decarboxylative Coupling Reactions Among Alkylidene Pyrazolones, Allyl Carbonates and Active Methylene Compounds","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00791F","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1347","0.1531","","","","","","1.024","","","","has coordinates","275950","2022-06-10","00:39:52",""
"7158726","11.564","0.0004","8.9788","0.0004","17.5497","0.0007","90","","101.097","0.004","90","","1788.13","0.13","301.94","0.1","301.94","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenyl(3-phenylbenzo[4,5]imidazo[2,1-b]thiazol-2-yl)methanone","","- C22 H14 N2 O S -","- C22 H14 N2 O S -","- C88 H56 N8 O4 S4 -","4","1","","Zhao, Xue-Jun; Li, Yuke; li, ming; Tian, Ya-Ling; Wang, Wen-Peng; Zhang, Bo-Sheng; Wang, Xi-Cun","Visible Light-Promoted Intermolecular Cyclization/Aromatization of Chalcones and 2-Mercaptobenzimidazoles via EDA Complex and Mechanism Study","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00847E","","x-ray","0.71073","MoKα","","0.0539","0.0382","","","0.0924","0.099","","","","","","1.06","","","","has coordinates","275951","2022-06-10","00:40:14",""
"7158727","15.2026","0.0007","10.9247","0.0005","12.3831","0.0007","90","","96.791","0.002","90","","2042.2","0.18","150","2","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","1","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0395","0.0322","","","0.0821","0.0876","","","","","","1.068","","","","has coordinates","275966","2022-06-11","00:28:56",""
"7158728","20.2064","0.0006","9.8434","0.0002","10.4751","0.0003","90","","102.468","0.001","90","","2034.36","0.09","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","1","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0491","0.037","","","0.088","0.096","","","","","","1.035","","","","has coordinates","275966","2022-06-11","00:28:57",""
"7158729","7.0326","0.0003","30.5918","0.0013","10.368","0.0004","90","","90","","90","","2230.57","0.16","150","2","149.99","","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C19 H12 S7 Si -","- C19 H12 S7 Si -","- C76 H48 S28 Si4 -","4","0.5","","Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua","Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00800A","","","0.71073","MoKα","","0.0237","0.0235","","","0.0618","0.062","","","","","","1.016","","","","has coordinates,has disorder","275966","2022-06-11","00:28:57",""
"7158730","12.2709","0.0005","15.7729","0.0005","10.1394","0.0003","90","","96.603","0.003","90","","1949.44","0.12","106.6","0.8","106.6","0.8","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O7 -","- C23 H24 O7 -","- C92 H96 O28 -","4","1","","Liu, Hongxin; Zhang, Yanjiang; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin","Pyrone and isocoumarin derivatives from the endophytic fungus <i>Cytospora rhizophorae</i>.","Organic & biomolecular chemistry","2022","20","24","4900","4904","10.1039/d2ob00846g","","x-ray","1.54184","CuKα","","0.1025","0.0529","","","0.1169","0.1377","","","","","","0.983","","","","has coordinates","276671","2022-07-06","08:34:10",""
"7158731","9.3346","0.0004","11.4965","0.0005","14.0008","0.0005","68.283","0.004","88.338","0.003","66.351","0.004","1265.98","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 O12 S -","- C24 H34 O12 S -","- C48 H68 O24 S2 -","2","1","","Woźny, Mateusz; Trzybiński, Damian; Dąbrowa, Kajetan; Narodowiec, Jakub; Wozniak, Krzysztof","Monosulfonated dibenzo-24-crown-8 and its properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00851C","","x-ray","1.54184","CuKα","","0.0439","0.0421","","","0.108","0.1098","","","","","","1.027","","","","has coordinates,has disorder","276078","2022-06-17","00:36:33",""
"7158732","9.564","0.0005","11.4132","0.0005","14.49","0.0007","89.466","0.004","70.873","0.005","66.708","0.005","1359.32","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H35 K O13 S -","- C24 H35 K O13 S -","- C48 H70 K2 O26 S2 -","2","1","","Woźny, Mateusz; Trzybiński, Damian; Dąbrowa, Kajetan; Narodowiec, Jakub; Wozniak, Krzysztof","Monosulfonated dibenzo-24-crown-8 and its properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00851C","","x-ray","1.54184","CuKα","","0.0329","0.031","","","0.0798","0.0817","","","","","","1.03","","","","has coordinates,has disorder","276078","2022-06-17","00:36:36",""
"7158733","8.6868","0.001","11.8781","0.0014","13.2771","0.0015","104.028","0.003","95.447","0.003","108.651","0.003","1237","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.38 H2.75 N0.25 O0.5 S0.12 -","- C3.375 H2.75 N0.25 O0.5 S0.125 -","- C54 H44 N4 O8 S2 -","16","8","","Kundal, Sandip; Rana, Gopal; Kar, Abhishek; Jana, Umasish","The synthesis of indole-3-carbinols (I3C) and their application to access unsymmetrical bis(3-indolyl)methanes (BIMs) bearing a quaternary sp3-carbon","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00502F","","","0.71073","MoKα","","0.1408","0.1134","","","0.304","0.3264","","","","","","1.157","","","","has coordinates","276088","2022-06-18","00:33:20",""
"7158734","7.6565","0.0004","44.4687","0.0014","9.847","0.0004","90","","110.866","0.005","90","","3132.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N4 O2 S -","- C17 H14 N4 O2 S -","- C136 H112 N32 O16 S8 -","8","2","","Krivolapova, Yulia V.; Tomashenko, Olesya A.; Funt, Liya D.; Spiridonova, Dar’ya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Azirine-triazole hybrids: selective synthesis of 5-(2H-azirin-2-yl)-, 5-(1H-pyrrol-2-yl)-1H-1,2,3-triazoles and 2-(5-(2H-azirin-2-yl)-1H-1,2,3-triazol-1-yl)pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00908K","","x-ray","0.71073","MoKα","","0.1257","0.1175","","","0.2181","0.2212","","","","","","1.299","","","","has coordinates","276215","2022-06-24","00:59:14",""
"7158735","6.8927","0.0001","17.0842","0.0002","19.2068","0.0002","111.229","0.001","91.775","0.001","99.496","0.001","2069.21","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","2","","Krivolapova, Yulia V.; Tomashenko, Olesya A.; Funt, Liya D.; Spiridonova, Dar’ya V.; Novikov, Mikhail Sergeevich; Khlebnikov, Alexander F.","Azirine-triazole hybrids: selective synthesis of 5-(2H-azirin-2-yl)-, 5-(1H-pyrrol-2-yl)-1H-1,2,3-triazoles and 2-(5-(2H-azirin-2-yl)-1H-1,2,3-triazol-1-yl)pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00908K","","x-ray","1.54184","CuKα","","0.0422","0.0373","","","0.0937","0.0967","","","","","","1.042","","","","has coordinates","276215","2022-06-24","00:59:25",""
"7158736","7.8787","0.0003","8.2497","0.0004","13.2573","0.0006","91.083","0.001","93.032","0.001","116.681","0.001","767.98","0.06","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Br N O2 S2 -","- C16 H12 Br N O2 S2 -","- C32 H24 Br2 N2 O4 S4 -","2","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0315","0.0315","","","0.0813","0.0813","","","","","","1.087","","","","has coordinates","276265","2022-06-25","00:28:57",""
"7158737","5.8174","0.0002","8.2527","0.0003","31.1764","0.001","90","","90","","90","","1496.76","0.09","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 S -","- C16 H12 Br N O3 S -","- C64 H48 Br4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0246","0.0242","","","0.0606","0.0609","","","","","","1.089","","","","has coordinates","276265","2022-06-25","00:28:57",""
"7158738","17.2756","0.0007","5.8934","0.0003","15.8085","0.0006","90","","107.614","0.002","90","","1534.04","0.12","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br N O3 S -","- C16 H12 Br N O3 S -","- C64 H48 Br4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0322","0.0297","","","0.0781","0.0793","","","","","","1.183","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158739","11.1958","0.0003","15.7734","0.0005","9.155","0.0003","90","","96.136","0.001","90","","1607.47","0.09","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br Cl N O3 S -","- C16 H11 Br Cl N O3 S -","- C64 H44 Br4 Cl4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0264","0.0234","","","0.0593","0.0607","","","","","","1.054","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158740","7.3619","0.0003","8.0345","0.0003","13.9973","0.0005","90.628","0.001","94.489","0.001","101.89","0.001","807.37","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O6 S -","- C18 H15 N O6 S -","- C36 H30 N2 O12 S2 -","2","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0318","0.031","","","0.0805","0.0811","","","","","","1.052","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158741","8.6509","0.0006","18.0112","0.0013","10.3592","0.0007","90","","96.201","0.002","90","","1604.65","0.19","227","2","227","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O5 S -","- C16 H11 Br N2 O5 S -","- C64 H44 Br4 N8 O20 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0365","0.0359","","","0.0909","0.0913","","","","","","1.029","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158742","13.9957","0.0005","20.7143","0.0007","16.4103","0.0005","90","","90.911","0.002","90","","4756.9","0.3","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H10 B2 F30 N2 O2 S2 -","- C50 H10 B2 F30 N2 O2 S2 -","- C200 H40 B8 F120 N8 O8 S8 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0378","0.0302","","","0.0774","0.082","","","","","","1.034","","","","has coordinates","276265","2022-06-25","00:28:58",""
"7158743","8.8184","0.0001","8.9121","0.0002","11.4521","0.0001","93.237","0.001","108.243","0.001","115.398","0.002","752.85","0.03","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Br2 O3 -","- C14 H16 Br2 O3 -","- C28 H32 Br4 O6 -","2","1","","Suzuki, Itaru; Hamada, Yuya; Uji, Yuki; Shibata, Ikuya","Reductive Coupling of Allenoates with Aldehydes Catalyzed by Halogenotin Hydride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01096H","","x-ray","1.54184","CuKα","","0.0338","0.0322","","","0.0821","0.0832","","","","","","1.088","","","","has coordinates","276375","2022-06-29","00:34:59",""
"7158744","6.3452","0.0004","10.1024","0.0006","19.4282","0.001","84.271","0.004","88.2","0.005","75.258","0.005","1198.35","0.12","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl O4 -","- C13 H11 Cl O4 -","- C52 H44 Cl4 O16 -","4","2","","Suzuki, Itaru; Hamada, Yuya; Uji, Yuki; Shibata, Ikuya","Reductive Coupling of Allenoates with Aldehydes Catalyzed by Halogenotin Hydride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01096H","","x-ray","1.54184","CuKα","","0.1337","0.1282","","","0.3923","0.3947","","","","","","1.12","","","","has coordinates","276375","2022-06-29","00:35:00",""
"7158745","17.124","0.003","14.155","0.003","22.873","0.005","90","","106.7","0.03","90","","5310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H73 Dy N6 O5 -","- C59 H73 Dy N6 O5 -","- C236 H292 Dy4 N24 O20 -","4","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","0.71073","Synchrotron","","0.0704","0.0659","","","0.1668","0.1683","","","","","","1.165","","","","has coordinates,has disorder","277140","2022-08-06","12:03:01",""
"7158746","9.6751","0.0008","10.1384","0.001","13.4857","0.0012","107.731","0.008","109.77","0.008","93.109","0.007","1167.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O2 Se -","- C29 H22 O2 Se -","- C58 H44 O4 Se2 -","2","1","","Chen, Zhichao; Zheng, Xinran; Zhou, Shu-Feng; Cui, Xiuling","Visible light-induced selenylative spirocyclization of biaryl ynones toward the formation of selenated spiro[5.5]trienones.","Organic & biomolecular chemistry","2022","20","29","5779","5783","10.1039/d2ob01006b","","","1.54184","CuKα","","0.0626","0.0455","","","0.1041","0.116","","","","","","1.064","","","","has coordinates,has disorder","277140","2022-08-06","12:03:02",""
"7158747","9.9894","0.0002","11.4609","0.0003","14.7673","0.0004","106.052","0.002","102.529","0.002","106.772","0.002","1472.53","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","E-1-(2-acetylaminophenyl)-1-bromo-2-(2-bromophenyl)ethene","","- C16 H13 Br2 N O -","- C16 H13 Br2 N O -","- C64 H52 Br8 N4 O4 -","4","2","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0421","0.032","","","0.0754","0.0784","","","","","","1.033","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158748","8.339","0.0003","10.6181","0.0003","21.0722","0.0006","90","","92.485","0.003","90","","1864.07","0.1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Z-1-(2-Acetylaminophenyl)-2-(2-bromophenyl)-1-(4-methylphenyl)ethene","","- C23 H20 Br N O -","- C23 H20 Br N O -","- C92 H80 Br4 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0359","0.0294","","","0.0642","0.066","","","","","","1.063","","","","has coordinates","277143","2022-08-06","12:03:20",""
"7158749","15.5398","0.0005","8.6572","0.0002","13.0504","0.0004","90","","99.779","0.003","90","","1730.18","0.09","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Ethanoyl-10-(4-methylphenyl)-5H-dibenzo[b,f]azepine","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi","A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.","Organic & biomolecular chemistry","2022","20","28","5543","5550","10.1039/d2ob00950a","","","0.71073","MoKα","","0.0452","0.0375","","","0.0867","0.0909","","","","","","1.049","","","","has coordinates","277143","2022-08-06","12:03:21",""
"7158750","11.9152","0.0006","13.5262","0.0004","10.7286","0.0006","90","","110.597","0.006","90","","1618.57","0.15","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","555","","- C16 H16 F3 N O2 S -","- C16 H16 F3 N O2 S -","- C64 H64 F12 N4 O8 S4 -","4","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0587","0.0479","","","0.1358","0.1462","","","","","","1.065","","","","has coordinates","276464","2022-07-01","00:36:02",""
"7158751","8.9308","0.0009","9.8192","0.0009","14.3606","0.0017","87.735","0.008","77.519","0.009","65.425","0.009","1116.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F3 N2 O S -","- C25 H23 F3 N2 O S -","- C50 H46 F6 N4 O2 S2 -","2","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","0.71073","MoKα","","0.1238","0.0819","","","0.23","0.2791","","","","","","0.93","","","","has coordinates","276464","2022-07-01","00:36:03",""
"7158752","9.0814","0.0002","8.8689","0.0002","19.9409","0.0004","90","","99.649","0.002","90","","1583.36","0.06","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C60 H56 F12 N4 O8 S4 -","4","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0419","0.0374","","","0.109","0.1126","","","","","","1.087","","","","has coordinates","276464","2022-07-01","00:36:03",""
"7158753","13.6854","0.0003","17.3409","0.0003","22.5373","0.0003","90","","90","","90","","5348.49","0.17","292.3","0.2","292.3","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C208 H256 N16 O32 S16 -","8","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0496","0.0436","","","0.1294","0.1354","","","","","","1.06","","","","has coordinates,has disorder","276464","2022-07-01","00:36:03",""
"7158754","10.609","0.006","8.728","0.005","29.627","0.017","90","","91.652","0.012","90","","2742","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-bromo-2-nitrophenyl)benzenesulfonamide","","- C24 H18 Br2 N4 O8 S2 -","- C24 H18 Br2 N4 O8 S2 -","- C96 H72 Br8 N16 O32 S8 -","4","1","","Yu, Xiao; Zhu, Wenjing; Liu, Hongyan; Liu, Yi; Li, Hongshuang; Han, Junfen; Duan, Guiyun; Bai, Zhushuang; Zhang, Pengfei; Xia, Chengcai","Practical chemoselective aromatic substitution: the synthesis of N-(4-halo-2-nitrophenyl)benzenesulfonamide through the efficient nitration and halogenation of N-phenylbenzenesulfonamide","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01028C","","","0.71073","MoKα","","0.0991","0.051","","","0.1284","0.141","","","","","","1.013","","","","has coordinates","276465","2022-07-01","00:36:57",""
"7158755","8.5489","0.0002","9.957","0.0002","12.8587","0.0003","71.144","0.002","81.512","0.002","81.501","0.002","1018.59","0.04","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N O4 P -","- C21 H30 N O4 P -","- C42 H60 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","1.54184","CuKα","","0.0329","0.0327","","","0.0844","0.0845","","","","","","1.061","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158756","10.0312","0.0006","10.9576","0.0009","13.176","0.0013","72.616","0.008","81.716","0.007","67.437","0.007","1275.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C54 H68 N2 O8 P2 -","2","1","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0654","0.0531","","","0.1295","0.1387","","","","","","1.034","","","","has coordinates,has disorder","277141","2022-08-06","12:03:09",""
"7158757","10.7214","0.0004","11.9743","0.0006","18.1464","0.0008","88.453","0.004","77.487","0.004","74.219","0.004","2187.33","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N O4 P -","- C22 H32 N O4 P -","- C88 H128 N4 O16 P4 -","4","2","","Kaźmierczak, Marcin; Dutkiewicz, Grzegorz; Koroniak, Henryk","Deoxyfluorinating reagents as tools for γ-amino-α-hydroxyphosphonate modification.","Organic & biomolecular chemistry","2022","20","28","5615","5623","10.1039/d2ob00915c","","x-ray","0.71073","MoKα","","0.0735","0.0626","","","0.1714","0.1818","","","","","","1.056","","","","has coordinates","277141","2022-08-06","12:03:09",""
"7158758","11.1124","0.0002","11.301","0.0001","10.6161","0.0002","90","","109.698","0.002","90","","1255.17","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Pawar, Amol Prakash; Yadav, Jyothi; Dolas, Atul Jankiram; Iype, Eldhose; Rangan, Krishnan; Kumar, Indresh","Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles.","Organic & biomolecular chemistry","2022","20","29","5747","5758","10.1039/d2ob00961g","","x-ray","1.54184","CuKα","","0.0411","0.0386","","","0.0964","0.098","","","","","","1.066","","","","has coordinates","277135","2022-08-06","12:02:29",""
"7158759","9.2756","0.0001","10.2061","0.0001","17.1546","0.0002","79.024","0.001","75.112","0.001","74.328","0.001","1498.29","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N O2 P -","- C37 H35 N O2 P -","- C74 H70 N2 O4 P2 -","2","1","","Xu, Xin-Ming; Li, Wenzhong; Li, Qiwei; Chen, Sen; Zhang, Xuesi; Yang, Bin; Wang, Wei-Li","Manganese(III)-promoted highly stereoselective phosphorylation of acyclic tertiary enamides to synthesize <i>E</i>-selective β-phosphoryl enamides.","Organic & biomolecular chemistry","2022","20","28","5566","5574","10.1039/d2ob00980c","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1527","0.1537","","","","","","1.052","","","","has coordinates","277142","2022-08-06","12:03:14",""
"7158760","10.2003","0.0006","9.935","0.0005","19.3125","0.001","90","","97.101","0.001","90","","1942.12","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2'R,3S,4'S)-di-tert-butyl 6-chloro-4'-((3-methyl-4-nitroisoxazol-5-yl)methyl)-2-oxo-1'-tosyl-2',4'-dihydro-1'H-spiro[indoline-3,3'-quinoline]-1,2'-dicarboxylate","","- C38 H39 Cl N4 O10 S -","- C38 H39 Cl N4 O10 S -","- C76 H78 Cl2 N8 O20 S2 -","2","1","","Li, Tong-Hao; Niu, Cheng; Du, Da-Ming","Enantioselective synthesis of isoxazole-containing spirooxindole tetrahydroquinolines <i>via</i> squaramide-catalysed cascade reactions.","Organic & biomolecular chemistry","2022","20","28","5582","5588","10.1039/d2ob00864e","","","0.71073","MoKα","","0.0997","0.0758","","","0.2016","0.2268","","","","","","1.006","","","","has coordinates,has disorder","277144","2022-08-06","12:03:26",""
"7158761","8.805","0.003","6.864","0.002","10.545","0.004","90","","110.673","0.01","90","","596.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","0.5","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0802","0.0607","","","0.1836","0.2048","","","","","","1.093","","","","has coordinates","277136","2022-08-06","12:02:35",""
"7158762","9.232","0.0012","9.6032","0.0013","10.3394","0.0014","75.363","0.004","80.372","0.004","79.124","0.004","864.1","0.2","308","2","308","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.","Redox activated amines in the organophotoinduced alkylation of coumarins.","Organic & biomolecular chemistry","2022","20","29","5716","5720","10.1039/d2ob00943a","","","0.71073","MoKα","","0.0688","0.0454","","","0.1536","0.1762","","","","","","1.187","","","","has coordinates","277136","2022-08-06","12:02:36",""
"7158763","11.9543","0.0016","13.1009","0.0016","12.3965","0.0014","90","","98.422","0.003","90","","1920.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Br O4 -","- C23 H19 Br O4 -","- C92 H76 Br4 O16 -","4","1","","Dattatri, ?; Singam, Maneesh Kumar Reddy; Nanubolu, Jagadeesh Babu; Reddy, Maddi Sridhar","Cu-Catalyzed tandem cyclization and coupling of enynones with enaminones for multisubstituted furans & furano-pyrroles.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob00839d","","","0.71073","MoKα","","0.0677","0.0389","","","0.0939","0.1072","","","","","","1.026","","","","has coordinates","276864","2022-07-23","02:23:06",""
"7158764","14.9392","0.0006","10.0969","0.0004","17.2076","0.0007","90","","111.715","0.001","90","","2411.39","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl N O3 -","- C32 H20 Cl N O3 -","- C128 H80 Cl4 N4 O12 -","4","1","","Yue, Zhibin; Wang, Ziyang; Zhang, Yunfeng; Chen, Xuling; Li, Pengfei; Li, Wenjun","Organocatalytic Formal [3+3] Cyclization of α-(6-Indolyl) Propargylic Alcohols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01206E","","x-ray","0.71073","MoKα","","0.1033","0.0484","","","0.1094","0.1249","","","","","","1.043","","","","has coordinates","276865","2022-07-23","02:23:29",""
"7158765","10.6549","0.0006","11.8312","0.0006","12.7053","0.0007","62.656","0.002","78.805","0.002","65.198","0.002","1291.45","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br2 N4 O2 S4 -","- C22 H18 Br2 N4 O2 S4 -","- C44 H36 Br4 N8 O4 S8 -","2","1","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","0.71073","MoKα","","0.0638","0.0402","","","0.1014","0.1145","","","","","","1.015","","","","has coordinates","277137","2022-08-06","12:02:41",""
"7158766","6.5681","0.0004","14.0924","0.0009","15.4674","0.001","90","","94.19","0.004","90","","1427.84","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Ravi Singh, Krishna; Santhosh, Chikkappaiahnayaka; Swaroop, Toreshettahally R.; Sadashiva, Maralinganadoddi P.","The regioselective synthesis of 2,5- and 4,5-disubstituted thiazoles <i>via</i> the cyclization of 2-oxo-2-(amino)ethanedithioates with isocyanides.","Organic & biomolecular chemistry","2022","20","29","5771","5778","10.1039/d2ob00837h","","","1.54178","CuKα","","0.0798","0.0686","","","0.144","0.1507","","","","","","1.33","","","","has coordinates","277137","2022-08-06","12:02:41",""
"7158767","8.739","0.005","6.41","0.004","33.594","0.018","90","","94.59","0.017","90","","1875.8","1.9","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-di-p-tolyl-2,3-dihydro-1H-inden-1-one","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2604","0.0828","","","0.1533","0.2431","","","","","","0.901","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158768","8.6355","0.0011","6.4732","0.0008","30.237","0.003","90","","91.3","0.011","90","","1689.8","0.3","301.41","0.1","301.41","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-5-methyl-2,3-diphenyl-2,3-dihydro-1H-inden-1-one","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","x-ray","0.71073","MoKα","","0.137","0.1093","","","0.2831","0.2979","","","","","","1.065","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158769","18.013","0.002","10.9258","0.0016","19.1838","0.0015","90","","93.691","0.007","90","","3767.7","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1a,6a-di-m-tolyl-1a,6a-dihydro-6H-indeno[1,2-b]oxiren-6-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C192 H160 O16 -","8","2","","Negi, Rollania; Jena, Tapan Kumar; Jyoti, ?; Tuti, Nikhil Kumar; Anindya, Roy; Khan, Faiz Ahmed","Solvent controlled synthesis of 2,3-diarylepoxy indenones and α-hydroxy diarylindanones and their evaluation as inhibitors of DNA alkylation repair.","Organic & biomolecular chemistry","2022","20","29","5820","5835","10.1039/d2ob00595f","","","0.71073","MoKα","","0.2157","0.119","","","0.3577","0.4399","","","","","","1.1824","","","","has coordinates","277138","2022-08-06","12:02:49",""
"7158770","8.8846","0.0003","10.469","0.0006","18.3384","0.0009","90","4","79.975","0.004","90","4","1679.66","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.0504","0.0346","","","0.0793","0.0874","","","","","","1.039","","","","has coordinates","276868","2022-07-23","02:25:32",""
"7158771","8.6775","0.0006","9.7016","0.0006","11.8817","0.0008","86.39","0.002","79.605","0.002","66.426","0.002","901.7","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 O4 S -","- C21 H19 O4 S -","- C42 H38 O8 S2 -","2","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.044","0.0367","","","0.0981","0.1084","","","","","","1.1","","","","has coordinates","276868","2022-07-23","02:25:33",""
"7158772","7.3447","0.0005","21.7403","0.0015","12.7291","0.001","90","","103.687","0.002","90","","1974.8","0.2","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Prakash, Meher; Rani, Poonam; Samanta, Sampak","Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00971D","","","0.71073","MoKα","","0.0573","0.0453","","","0.1469","0.1621","","","","","","1.19","","","","has coordinates","276868","2022-07-23","02:25:33",""
"7158773","9.8688","0.0007","9.9088","0.0007","10.7278","0.0008","73.336","0.002","75.766","0.002","60.403","0.002","866.99","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N O4 P -","- C18 H20 N O4 P -","- C36 H40 N2 O8 P2 -","2","1","","Xiong, Ting; Zhou, Xingcui; Jiang, Jun","Dearomative oxyphosphorylation of indoles enables facile access to 2,2-disubstituted indolin-3-ones.","Organic & biomolecular chemistry","2022","20","29","5721","5725","10.1039/d2ob01063a","","","0.71073","MoKα","","0.0695","0.0589","","","0.158","0.1673","","","","","","1.026","","","","has coordinates,has disorder","277139","2022-08-06","12:02:54",""
"7158774","9.659","0.003","18.266","0.005","10.132","0.003","90","","113.345","0.01","90","","1641.3","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0997","0.0509","","","0.1009","0.123","","","","","","1.014","","","","has coordinates","276870","2022-07-23","02:27:54",""
"7158775","9.7783","0.0009","11.9953","0.001","17.4364","0.0015","81.427","0.003","83.627","0.004","70.331","0.003","1900.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.085","0.056","","","0.1241","0.1386","","","","","","1.03","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158776","10.678","0.003","9.987","0.003","24.015","0.007","90","","100.609","0.015","90","","2517.2","1.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N4 O8 -","- C26 H32 N4 O8 -","- C104 H128 N16 O32 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.2888","0.0968","","","0.2035","0.2804","","","","","","0.954","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158777","10.8202","0.0009","12.3589","0.001","15.5997","0.0014","92.661","0.003","109.964","0.003","107.892","0.003","1839","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-9-chloro-3-(3-chlorophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C6.67 H6 Cl0.67 N1.33 O0.67 -","- C6.66667 H6 Cl0.666667 N1.33333 O0.666667 -","- C80 H72 Cl8 N16 O8 -","12","6","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0858","0.0445","","","0.0937","0.1059","","","","","","1.07","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158778","8.8126","0.0004","23.7747","0.0009","9.4899","0.0004","90","","110.606","0.001","90","","1861.09","0.14","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O2 -","- C20 H18 Cl2 N4 O2 -","- C80 H72 Cl8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0476","0.0398","","","0.09","0.0943","","","","","","1.077","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158779","12.5996","0.0006","7.267","0.0003","42.5196","0.0018","90","","90","","90","","3893.1","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","1-methyl-4-(3-methyl-2-oxo-1-phenylimidazolidin-4-yl)-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C160 H192 N32 O32 -","8","2","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0615","0.0565","","","0.1406","0.1443","","","","","","1.098","","","","has coordinates","276870","2022-07-23","02:27:55",""
"7158780","9.118","0.004","10.799","0.004","10.873","0.005","90.043","0.014","100.093","0.012","95.192","0.012","1049.6","0.8","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(10cS,13aS,13bR)-2,11-dimethyl-13-(naphthalen-2-yl)-1,10c,11,13,13a,13b-hexahydro-3H-benzo[f]diimidazo[1,5-a:4',5'-c]quinoline-3,12(2H)-dione","","- C28 H24 N4 O2 -","- C28 H24 N4 O2 -","- C56 H48 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0702","0.0437","","","0.1021","0.1154","","","","","","1.029","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158781","6.3685","0.0003","7.0657","0.0003","18.9967","0.001","90","","97.181","0.002","90","","848.11","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-3-phenyl-1,3-dihydro-2H-imidazol-2-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0541","0.0498","","","0.1247","0.1272","","","","","","1.111","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158782","14.616","0.003","9.5381","0.0015","15.044","0.002","90","","117.626","0.005","90","","1858.2","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3aS,3bS,11bS)-10-bromo-3-(4-bromophenyl)-1,5-dimethyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C20 H18 Br2 N4 O2 -","- C20 H18 Br2 N4 O2 -","- C80 H72 Br8 N16 O8 -","4","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","x-ray","0.71073","MoKα","","0.0332","0.025","","","0.0549","0.0584","","","","","","1.034","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158783","9.6635","0.0007","11.4629","0.0008","14.1743","0.001","91.874","0.002","106.844","0.002","112.114","0.002","1374.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS,3bR,11bS)-3,5-bis(4-bromobenzyl)-1-phenyl-1,3a,3b,4,5,11b-hexahydro-2H-diimidazo[1,5-a:4',5'-c]quinoline-2,6(3H)-dione","","- C32 H26 Br2 N4 O2 -","- C32 H26 Br2 N4 O2 -","- C64 H52 Br4 N8 O4 -","2","1","","Kuznetsova, E. A.; Smolobochkin, A. V.; Rizbayeva, T. S.; Gazizov, A. S.; Voronina, J. K.; Lodochnikova, O. A.; Gerasimova, D. P.; Dobrynin, A. B.; Syakaev, V. V.; Shurpik, D. N.; Stoikov, I. I.; Burilov, A. R.; Pudovik, M. A.; Sinyashin, O. G.","Diastereoselective intramolecular cyclization/Povarov reaction cascade for the one-pot synthesis of polycyclic quinolines.","Organic & biomolecular chemistry","2022","20","28","5515","5519","10.1039/d2ob01031c","","","0.71073","MoKα","","0.0714","0.0466","","","0.1163","0.1344","","","","","","0.814","","","","has coordinates","276870","2022-07-23","02:27:56",""
"7158784","4.7996","0.0013","9.8909","0.0015","26.029","0.004","90","","92.99","0.02","90","","1234","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N3 O -","- C12 H12 Br N3 O -","- C48 H48 Br4 N12 O4 -","4","1","","Khan, Sardaraz; Shah, Babar Hussain; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed regio- and stereoselective allylic substitution of vinylethylene carbonates with 1,2,4-triazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01156E","","","1.54178","CuKα","","0.0652","0.0462","","","0.1139","0.1306","","","","","","1.025","","","","has coordinates","276871","2022-07-23","02:29:07",""
"7158785","13.659","0.007","17.867","0.009","31.896","0.016","90","","90","","90","","7784","7","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Br N3 O5 S -","- C42 H40 Br N3 O5 S -","- C336 H320 Br8 N24 O40 S8 -","8","2","","Madavi, Shiva Prasad; Murugesan, Sivaprakash; Alagarsamy, Palanichamy","Aminocatalytic asymmetric [4+2]-annulation to access functionally rich hexahydrospiroindole pyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01085B","","","0.71073","MoKα","","0.1354","0.0649","","","0.1291","0.158","","","","","","1.015","","","","has coordinates,has disorder","276872","2022-07-23","02:29:36",""
"7158786","8.4928","0.0004","22.3408","0.0009","9.675","0.0004","90","","90.005","0.002","90","","1835.7","0.14","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21 1","P 2yb","4","","","","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","- C56 H118 O43 Si4 -","1","0.5","","Choutka, Jan; Kratochvíl, Michal; Císařová, Ivana; Pohl, Radek; Kaminský, Jakub; Parkan, Kamil","Silicon-bridged (1→ 1)-disaccharides: an umpoled glycomimetic scaffold.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01161a","","","0.71073","MoKα","","0.0293","0.029","","","0.0815","0.0816","","","","","","1.041","","","","has coordinates","276873","2022-07-23","02:29:53",""
"7158787","14.8663","0.0005","8.1427","0.0003","16.8048","0.0006","90","","93.871","0.004","90","","2029.61","0.12","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 F Ir N3 -","- C18 H23 Cl2 F Ir N3 -","- C72 H92 Cl8 F4 Ir4 N12 -","4","1","","Xia, Yanping; Wang, Sen; Miao, Rui; Liao, Jianhua; Ouyang, Lu; Luo, Renshi","Synthesis of N-alkoxy amines and hydroxylamines via the iridium-catalyzed transfer hydrogenation of oximes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01084D","","x-ray","0.71073","MoKα","","0.0356","0.0296","","","0.0641","0.0673","","","","","","1.023","","","","has coordinates","276874","2022-07-23","02:30:24",""
"7158788","5.7379","0.0003","8.2844","0.0005","31.6487","0.0019","90","","91.477","0.006","90","","1503.92","0.15","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Xia, Yanping; Wang, Sen; Miao, Rui; Liao, Jianhua; Ouyang, Lu; Luo, Renshi","Synthesis of N-alkoxy amines and hydroxylamines via the iridium-catalyzed transfer hydrogenation of oximes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01084D","","x-ray","1.54184","CuKα","","0.0784","0.0642","","","0.1686","0.1769","","","","","","1.042","","","","has coordinates","276874","2022-07-23","02:30:24",""
"7158789","7.6201","0.0011","11.12","0.002","12.625","0.002","106.776","0.004","99.113","0.004","96.569","0.006","996.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F6 N2 -","- C24 H16 F6 N2 -","- C48 H32 F12 N4 -","2","1","","Geng, Furong; Wu, Shaofeng; Gan, Xinyang; Hou, Wenjuan; Dong, Jianyu; Zhou, Yongbo","TEMPO mediated oxidative annulation of aryl methyl ketones with amines/ammonium acetate for imidazole synthesis.","Organic & biomolecular chemistry","2022","20","27","5416","5422","10.1039/d2ob00828a","","","0.71073","MoKα","","0.0366","0.0349","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","276875","2022-07-23","02:30:50",""
"7158790","9.8106","0.0002","17.8042","0.0002","9.8334","0.0002","90","","119.489","0.003","90","","1495.08","0.06","295.99","0.1","295.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Li, Zhen; Ma, Shiqiang; Liu, Fuhai; Ma, Ruize; Zhao, Jipeng; Xie, Xingang; She, Xuegong","Rapid construction of indole-fused 8–10 membered lactones via a tandem reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01110G","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.1023","0.1049","","","","","","1.039","","","","has coordinates","276876","2022-07-23","02:31:10",""
"7158791","6.722","0.0003","19.1925","0.0007","11.3024","0.0005","90","","103.638","0.002","90","","1417.03","0.1","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.0558","0.0464","","","0.1132","0.1194","","","","","","1.046","","","","has coordinates","276877","2022-07-23","02:31:52",""
"7158792","10.6245","0.001","11.4523","0.0017","14.3907","0.0019","90","","93.884","0.004","90","","1747","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.0738","0.054","","","0.1361","0.1532","","","","","","1.024","","","","has coordinates","276877","2022-07-23","02:31:53",""
"7158793","22.524","0.002","24.034","0.007","7.426","0.006","90","","90","","90","","4020","3","294","2","294","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C45 H38 Cl2 F2 N6 O6 -","- C45 H38 Cl2 F2 N6 O6 -","- C180 H152 Cl8 F8 N24 O24 -","4","0.5","","Thadem, Nagender; Rajesh, Manda; Balaboina, Harikrishna; Das, Saibal","Synthesis of bridgehead-azacycles <i>via</i> dual C-N/C-C annulation of α-amino acids, aminals and maleimides.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01117d","","","0.71073","MoKα","","0.066","0.0407","","","0.0864","0.0991","","","","","","0.956","","","","has coordinates,has disorder","276877","2022-07-23","02:31:53",""
"7158794","14.0585","0.0009","6.5274","0.0003","19.2202","0.0011","90","","106.051","0.002","90","","1694.99","0.17","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Hu, Sen-Jie; Jiang, Li-Lin; Qiu, Hui; Luo, Chun-Mei; Guan, Yu-Tao; Li, Long; Dong, Youren; Lei, Ke-Wei; Wei, Wen-Ting","Cyclization/hydrolysis of 1,5-enenitriles initiated by sulfonyl radicals in the aqueous phase in the presence of the I2/TBHP system","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01124G","","","0.71073","MoKα","","0.0532","0.0406","","","0.0846","0.0951","","","","","","1.079","","","","has coordinates","276937","2022-07-26","00:46:29",""
"7158795","8.797","0.0007","9.5081","0.001","31.917","0.003","90","","90","","90","","2669.6","0.4","303","2","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl N O2 S Se2 -","- C28 H24 Cl N O2 S Se2 -","- C112 H96 Cl4 N4 O8 S4 Se8 -","4","1","","Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao","Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00964A","","","0.71073","MoKα","","0.0707","0.0321","","","0.0649","0.0716","","","","","","1.02","","","","has coordinates","276938","2022-07-26","00:47:07",""
"7158796","10.5442","0.0004","11.6339","0.0005","11.9876","0.0006","97.872","0.002","101.392","0.002","91.286","0.002","1426.11","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl N O2 S Se2 -","- C30 H28 Cl N O2 S Se2 -","- C60 H56 Cl2 N2 O4 S2 Se4 -","2","1","","Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao","Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00964A","","","0.71073","MoKα","","0.0625","0.0421","","","0.1011","0.1098","","","","","","1.062","","","","has coordinates","276938","2022-07-26","00:47:08",""
"7158797","6.0853","0.0002","6.9127","0.0002","21.3235","0.0004","90","","90","","90","","896.99","0.04","100","0.3","100","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Sperry, Jonathan; Lau, Michelle; Neville, Jessica; Söhnel, Tilo","Haber-independent, asymmetric synthesis of the marine alkaloid epi-leptosphaerin from a chitin-derived chiral pool synthon","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01251K","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0731","0.0741","","","","","","1.058","","","","has coordinates","276954","2022-07-27","00:43:04",""
"7158798","8.3018","0.0001","10.5357","0.0001","20.1722","0.0001","90","","90","","90","","1764.37","0.03","189.99","0.1","189.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yang, Min; Gao, Yu-Lin; Xie, Ming-Sheng; Guo, Hai-Ming","ArPNO-catalyzed acylative kinetic resolution of tertiary alcohols: access to 3-hydroxy-3-substituted oxindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01205G","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.0863","0.0868","","","","","","1.1026","","","","has coordinates","276971","2022-07-28","00:37:40",""
"7158799","12.0018","0.0003","15.5165","0.0004","17.7252","0.0004","68.278","0.002","84.913","0.002","85.553","0.002","3050.85","0.14","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H145 Au2 Cl2 N5 O8 P2 -","- C122 H145 Au2 Cl2 N5 O8 P2 -","- C122 H145 Au2 Cl2 N5 O8 P2 -","1","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","x-ray","0.71073","MoKα","","0.0553","0.0486","","","0.1334","0.136","","","","","","1.072","","","","has coordinates,has disorder","276972","2022-07-28","00:38:23",""
"7158800","30.4353","0.0006","15.4148","0.0002","25.1048","0.0004","90","","90.541","0.002","90","","11777.5","0.3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C117.5 H137.5 Au2 Cl6.5 N2 O8 P2 -","- C117.5 H137.5 Au2 Cl6.5 N2 O8 P2 -","- C470 H550 Au8 Cl26 N8 O32 P8 -","4","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","","0.71073","MoKα","","0.044","0.0358","","","0.095","0.0999","","","","","","1.048","","","","has coordinates,has disorder","276972","2022-07-28","00:38:24",""
"7158801","14.1201","0.0003","14.4758","0.0003","18.9307","0.0003","88.005","0.002","85.593","0.002","86.527","0.002","3849.14","0.13","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C166 H204 Au2 Cl2 N2 O10 P2 -","- C166 H204 Au2 Cl2 N2 O10 P2 -","- C166 H204 Au2 Cl2 N2 O10 P2 -","1","0.5","","Giovanardi, Gabriele; Balestri, Davide; Secchi, Andrea; Cera, Gianpiero","Diametric calix[6]arene gold(i) catalysts for intramolecular cyclopropanations of 1,6-dienynes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01074G","","x-ray","0.71073","MoKα","","0.0428","0.0374","","","0.0833","0.0871","","","","","","1.05","","","","has coordinates,has disorder","276972","2022-07-28","00:38:24",""
"7158802","8.9293","0.0002","14.4901","0.0003","13.4949","0.0004","90","","109.131","0.003","90","","1649.63","0.08","100.2","0.7","100.2","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Br O2 -","- C21 H13 Br O2 -","- C84 H52 Br4 O8 -","4","1","","Li, Jun-Nan; Li, Zi-Jie; Shen, Liu-Yu; Li, Pinhua; Zhang, Yicheng; Yang, Wen-Chao","Selective polychloromethylation and halogenation of alkynes with polyhaloalkanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01053D","","x-ray","1.54184","CuKα","","0.0273","0.0265","","","0.0726","0.0732","","","","","","1.062","","","","has coordinates","276991","2022-07-29","00:37:26",""
"7158803","19.9343","0.0014","7.2169","0.0005","20.77","0.0014","90","","104.434","0.007","90","","2893.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 I2 N4 O2 S2 -","- C32 H18 I2 N4 O2 S2 -","- C128 H72 I8 N16 O8 S8 -","4","1","","Fang, Yu; Ren, Shangfeng; He, Chen; Han, Huiqi; Liao, Fuming; Liu, Jin-Biao; Yang, Min","Selective halocyclization and iodosulfonylation of N-benzothiazol2-yl alkynamides under mild conditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01165D","","","0.71073","MoKα","","0.0756","0.0454","","","0.0914","0.1073","","","","","","1.041","","","","has coordinates","277009","2022-07-30","00:34:52",""
"7158804","10.2351","0.0003","8.1643","0.0002","20.5765","0.0005","90","","98.163","0.001","90","","1702","0.08","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N O4 P -","- C15 H24 N O4 P -","- C60 H96 N4 O16 P4 -","4","2","","Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo","In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01196D","","","0.71073","MoKα","","0.0588","0.0536","","","0.1411","0.1477","","","","","","1.049","","","","has coordinates,has disorder","277010","2022-07-30","00:35:22",""
"7158805","9.268","0.0004","9.7857","0.0005","11.9313","0.0006","76.99","0.002","68.228","0.001","77.696","0.002","969.02","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 F N O5 P -","- C17 H25 F N O5 P -","- C34 H50 F2 N2 O10 P2 -","2","1","","Sun, Jian-Ting; Li, Xin; Yang, Tian-Yu; Lv, Min; Chen, Ling-Yan; Wei, Bang-Guo","In(OTf)3-catalyzed N-α phosphonylation of N,O-acetals with triethyl phosphite","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01196D","","","0.71073","MoKα","","0.0844","0.0549","","","0.1272","0.1493","","","","","","1.023","","","","has coordinates,has disorder","277010","2022-07-30","00:35:22",""
"7158806","8.3023","0.0005","9.0644","0.0007","10.6356","0.001","99.42","0.007","93.883","0.006","108.503","0.007","742.63","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C40 H24 O4 S2 -","2","1","","Geng, Yang; Gao, Xianying; Liang, apeng; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","[4+2] Cycloaddition Reactions of β-Naphtha-1-thioquinones Generated from 2-Naphthols and DAST","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01044E","","x-ray","0.71073","MoKα","","0.0665","0.0467","","","0.1001","0.1144","","","","","","1.04","","","","has coordinates","277021","2022-08-01","00:19:06",""
"7158807","9.1135","0.0004","6.4959","0.0003","26.5272","0.0012","90","","92.726","0.004","90","","1568.64","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O2 S2 -","- C20 H12 O2 S2 -","- C80 H48 O8 S8 -","4","1","","Geng, Yang; Gao, Xianying; Liang, apeng; Li, Jingya; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng","[4+2] Cycloaddition Reactions of β-Naphtha-1-thioquinones Generated from 2-Naphthols and DAST","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01044E","","x-ray","1.54184","CuKα","","0.0613","0.052","","","0.135","0.1427","","","","","","1.097","","","","has coordinates,has disorder","277021","2022-08-01","00:19:09",""
"7158808","18.0754","0.0012","15.6627","0.0011","11.5969","0.0006","90","","91.25","0.003","90","","3282.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1',4-dimethylspiro[benzo[4,5]imidazo[2,1-a]isoindole-11,3'-pyrrolidine]-2',5'-dione","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Huang, Ying-Ti; Barve, Indrajeet; Huang, Yi-Ting; Dhole, Sandip; Chiu, Wei-Jung; Sun, Chung-Ming","Substrate-Controlled Rh(III)-Catalyzed Regiodivergent Annulation to Fused and Spiro Benzimidazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00906D","","","0.71073","MoKα","","0.1152","0.0688","","","0.1769","0.2016","","","","","","1.06","","","","has coordinates","277066","2022-08-04","00:37:25",""
"7158809","16.2326","0.001","8.5326","0.0005","20.3607","0.0013","90","","90","","90","","2820.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aR,13aS)-2-methyl-3a,13a-dihydro-1H-benzo[4,5]imidazo[2,1-a]pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C144 H104 N24 O16 -","8","1","","Huang, Ying-Ti; Barve, Indrajeet; Huang, Yi-Ting; Dhole, Sandip; Chiu, Wei-Jung; Sun, Chung-Ming","Substrate-Controlled Rh(III)-Catalyzed Regiodivergent Annulation to Fused and Spiro Benzimidazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00906D","","","0.71073","MoKα","","0.1653","0.1443","","","0.327","0.3365","","","","","","1.205","","","","has coordinates","277066","2022-08-04","00:37:26",""
"7158810","31.146","0.018","11.338","0.007","15.115","0.009","90","","95.043","0.019","90","","5317","6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(9-(Pyridin-2-yl)-9H-carbazol-1-yl)-1-(2,4,6-trichlorophenyl)pyrrolidine-2,5-dione","","- C57 H38 Cl6 N6 O5 -","- C57 H38 Cl6 N6 O5 -","- C228 H152 Cl24 N24 O20 -","4","0.5","","Cho, Eun Hee; Akhtar, Muhammad Saeed; Aslam, Mohammad; Thombal, Raju S.; Li, Xin; Shim, Jae-Jin; Lee, Yong Rok","Transition Metal-Catalyzed Regioselective Functionalization of Carbazoles and Indolines with Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01077A","","","0.71073","MoKα","","0.1378","0.0814","","","0.2405","0.2937","","","","","","1.043","","","","has coordinates","277086","2022-08-06","00:26:37",""
"7158811","17.315","0.011","7.025","0.005","17.444","0.011","90","","99.42","0.03","90","","2093","2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(5-Bromo-1-(pyrimidin-2-yl)-1H-indol-2-yl)-1-phenylpyrrolidine-2,5-dione","","- C22 H15 Br N4 O2 -","- C22 H15 Br N4 O2 -","- C88 H60 Br4 N16 O8 -","4","1","","Cho, Eun Hee; Akhtar, Muhammad Saeed; Aslam, Mohammad; Thombal, Raju S.; Li, Xin; Shim, Jae-Jin; Lee, Yong Rok","Transition Metal-Catalyzed Regioselective Functionalization of Carbazoles and Indolines with Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01077A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.1173","","","","","","1.033","","","","has coordinates","277086","2022-08-06","00:26:37",""
"7158812","5.834","0.001","18.34","0.0009","14.5","0.0011","90","","97.21","0.03","90","","1539.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Chen, Rongxiang; Jing, Jun; Zhao, Na-Na; Li, Zhi-Hui; Wang, Ming-Yue; Ji, Shuo-Ke","Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita−Baylis−Hillman carbonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01253G","","","0.71073","MoKα","","0.2123","0.0786","","","0.1681","0.2139","","","","","","0.825","","","","has coordinates","277164","2022-08-09","01:15:55",""
"7158813","11.1944","0.0015","12.3535","0.0017","20.244","0.003","90","","90","","90","","2799.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Chen, Rongxiang; Jing, Jun; Zhao, Na-Na; Li, Zhi-Hui; Wang, Ming-Yue; Ji, Shuo-Ke","Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita−Baylis−Hillman carbonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01253G","","","0.71073","MoKα","","0.0622","0.0472","","","0.1252","0.1327","","","","","","1.067","","","","has coordinates","277164","2022-08-09","01:15:56",""
"7158814","7.4409","0.001","12.1832","0.0016","19.152","0.003","90","","91.399","0.002","90","","1735.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O2 -","- C20 H15 Cl N2 O2 -","- C80 H60 Cl4 N8 O8 -","4","1","","Yu, Xianglin; Tang, Zhiliang; He, Kun; Li, Weina; Lin, Jun; Jin, Yi","Catalyst-free highly regioselective hydrated ring-opening and formylation of quinazolinones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01234K","","","0.71073","MoKα","","0.0507","0.0379","","","0.1274","0.1404","","","","","","1.004","","","","has coordinates","277165","2022-08-09","01:16:42",""
"7158815","9.7631","0.0012","10.243","0.0014","10.4343","0.0013","90","","92.382","0.004","90","","1042.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 O -","- C12 H11 F3 O -","- C48 H44 F12 O4 -","4","1","","Golubev, Alexander S.; Ostapchuk, Petr N.; Strelkova, Tatyana V.; Kagramanov, Nikolai D.; Suponitsky, Kyrill; Takazova, Rina; Chkanikov, Nikolai D.","Synthesis of 4-trifluoromethyl-2H-chromenes via the reaction of 2-(trifluoroacetyl)phenols with vinyltriphenylphosphonium chloride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01177H","","","0.71073","MoKα","","0.0753","0.0408","","","0.0999","0.1141","","","","","","1.01","","","","has coordinates","277181","2022-08-10","00:30:04",""
"7158816","8.6739","0.0013","6.6929","0.0011","10.886","0.0013","90","","98.484","0.005","90","","625.06","0.16","296","2","295.9","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Zhang, Sheng; Xie, Zhilong; Ye, Zhanqiang; Zhang, Mingyang; Li, Dongdeng; Yamaguchi, Masahiko; Bao, Ming","Synthesis of trans-Stilbenes via Phosphine-Catalyzed Coupling Reaction of Benzylic Halides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01237E","","","0.71073","MoKα","","0.0773","0.0594","","","0.1578","0.1705","","","","","","1.041","","","","has coordinates","277203","2022-08-11","00:38:17",""
"7158817","6.0447","0.0017","7.273","0.002","33.48","0.01","90","","90.036","0.012","90","","1471.9","0.7","296","2","295.9","","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.67442 H1.48837 O0.372093 -","- C72 H64 O16 -","43","21.5","","Zhang, Sheng; Xie, Zhilong; Ye, Zhanqiang; Zhang, Mingyang; Li, Dongdeng; Yamaguchi, Masahiko; Bao, Ming","Synthesis of trans-Stilbenes via Phosphine-Catalyzed Coupling Reaction of Benzylic Halides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01237E","","","0.71073","MoKα","","0.1814","0.0739","","","0.1645","0.2054","","","","","","1.029","","","","has coordinates","277203","2022-08-11","00:38:18",""
"7158818","10.0686","0.0007","10.3684","0.0007","12.3317","0.0008","72.123","0.002","80.904","0.002","87.167","0.002","1209.81","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C54 H62 N2 O8 -","2","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.0927","0.0517","","","0.117","0.1382","","","","","","0.964","","","","has coordinates","277204","2022-08-11","00:39:06",""
"7158819","18.8869","0.0012","12.5379","0.0018","9.037","0.003","90","","99.986","0.005","90","","2107.6","0.8","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.127","0.0583","","","0.1381","0.1743","","","","","","1.022","","","","has coordinates","277204","2022-08-11","00:39:06",""
"7158820","8.7602","0.0018","10.6","0.002","10.571","0.002","90","","111.369","0.006","90","","914.1","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Chada, Raji Reddy; Kolgave, Dattahari H.; Ajaykumar, Uprety; Ramesh, Remya","Copper(II)-Catalyzed Oxidative ipso-Annulation of N-Arylpropiolamides and Biaryl Ynones with 1,3-Diketones: Construction of Diketoalkyl Spiro-trienones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01282K","","","0.71073","MoKα","","0.1197","0.0534","","","0.1244","0.1511","","","","","","0.986","","","","has coordinates","277204","2022-08-11","00:39:07",""
"7158821","11.6384","0.0006","10.1354","0.0004","23.754","0.0013","90","","93.521","0.005","90","","2796.7","0.2","293.23","0.1","293.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 F N O4 -","- C14 H16 F N O4 -","- C112 H128 F8 N8 O32 -","8","2","","Zhang, Wentao; Sun, Minghao; You, Kejia; Pang, Yunfei; Ma, Baochun","Metal-free aminofluorination of α-diazo 2H-benzopyran-4-one: Convenient access to β-fluoramides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01089E","","x-ray","0.71073","MoKα","","0.1374","0.0726","","","0.1742","0.2293","","","","","","1.049","","","","has coordinates","277211","2022-08-12","00:21:46",""
"7158822","10.6683","0.0003","9.5705","0.0003","30.9059","0.0009","90","","93.539","0.003","90","","3149.5","0.16","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F N O3 -","- C18 H16 F N O3 -","- C144 H128 F8 N8 O24 -","8","2","","Zhang, Wentao; Sun, Minghao; You, Kejia; Pang, Yunfei; Ma, Baochun","Metal-free aminofluorination of α-diazo 2H-benzopyran-4-one: Convenient access to β-fluoramides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01089E","","x-ray","1.54184","CuKα","","0.0549","0.0429","","","0.1104","0.1205","","","","","","1.036","","","","has coordinates","277211","2022-08-12","00:21:46",""
"7158823","29.2329","0.0006","29.2329","0.0006","6.01889","0.00012","90","","90","","120","","4454.42","0.16","298","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C21 H16 F3 N O S2 -","- C21 H16 F3 N O S2 -","- C189 H144 F27 N9 O9 S18 -","9","1","","Soni, Sonam; Shukla, Gaurav; Singh, Maya Shankar","Magnesium catalyzed [3 + 3] heteroannulation of α-enolic dithioesters with MBH acetate: access to functionalized 3,4-dihydro-2H-thiopyrans","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01258H","","x-ray","1.54184","CuKα","","0.0441","0.0435","","","0.126","0.1271","","","","","","1.0765","","","","has coordinates","277235","2022-08-13","00:41:17",""
"7158824","14.9969","0.0002","15.45226","0.00017","19.0015","0.0002","88.0358","0.0009","84.5699","0.001","88.8661","0.001","4380.39","0.09","298","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.537 H92 N4 O16 S8 -","- C91.537 H92 N4 O16 S8 -","- C183.074 H184 N8 O32 S16 -","2","1","","Soni, Sonam; Shukla, Gaurav; Singh, Maya Shankar","Magnesium catalyzed [3 + 3] heteroannulation of α-enolic dithioesters with MBH acetate: access to functionalized 3,4-dihydro-2H-thiopyrans","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01258H","","x-ray","1.54184","CuKα","","0.0783","0.0679","","","0.1748","0.1821","","","","","","1.0169","","","","has coordinates,has disorder","277235","2022-08-13","00:41:18",""
"7158825","9.7089","0.0008","14.351","0.0012","14.2749","0.0015","90","","106.946","0.01","90","","1902.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C92 H76 N4 O20 -","4","1","","Surya Prakash Rao, H.; Prabakaran, M.; Muthanna, Nandurka","Synthesis of 7-hydroxydibenzopyran-6-ones via benzannulation of coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01203K","","","0.71073","MoKα","","0.0729","0.046","","","0.133","0.1567","","","","","","0.952","","","","has coordinates","277299","2022-08-18","00:36:50",""
"7158826","6.6654","0.0004","9.624","0.0005","12.5534","0.0007","102.129","0.004","104.972","0.005","94.329","0.005","753.36","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H6 F3 N O6 S -","- C15 H6 F3 N O6 S -","- C30 H12 F6 N2 O12 S2 -","2","1","","Surya Prakash Rao, H.; Prabakaran, M.; Muthanna, Nandurka","Synthesis of 7-hydroxydibenzopyran-6-ones via benzannulation of coumarins","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01203K","","","0.7107","MoKα","","0.066","0.0487","","","0.1273","0.1408","","","","","","1.035","","","","has coordinates","277299","2022-08-18","00:36:51",""
"7158827","5.5406","0.0003","8.3315","0.0005","27.8631","0.0012","90","","90","","90","","1286.2","0.12","292.95","0.1","292.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Chen, Lianmei; Zhou, Chuang; Li, Jing; Li, Jun; Guo, Xiaoqiang; Kang, Tai-Ran","Copper-catalyzed reactions of α,β-unsaturated N-tosylhydrazones with diaryliodonium salts to construct N-arylpyrazoles and diaryl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01338J","","x-ray","1.54184","CuKα","","0.0917","0.0804","","","0.2372","0.2596","","","","","","1.083","","","","has coordinates","277300","2022-08-18","00:37:26",""
"7158828","8.1266","0.0003","24.3656","0.0008","7.7718","0.0002","90","","110.298","0.004","90","","1443.33","0.09","295.13","0.1","295.13","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Chen, Lianmei; Zhou, Chuang; Li, Jing; Li, Jun; Guo, Xiaoqiang; Kang, Tai-Ran","Copper-catalyzed reactions of α,β-unsaturated N-tosylhydrazones with diaryliodonium salts to construct N-arylpyrazoles and diaryl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01338J","","x-ray","1.54184","CuKα","","0.0645","0.0556","","","0.1556","0.168","","","","","","1.048","","","","has coordinates","277300","2022-08-18","00:37:27",""
"7158829","9.8628","0.0003","11.0438","0.0006","12.7968","0.0007","73.419","0.005","86.038","0.004","82.267","0.004","1323.06","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Br2 N2 O6 P S -","- C23 H23 Br2 N2 O6 P S -","- C46 H46 Br4 N4 O12 P2 S2 -","2","1","","Natarajan, K.; Sharma, Suraj; C. P., Irfana Jesin; Kataria, Ramesh; Nandi, Ganesh Chandra","One-pot Synthesis of α-sulfoximinophosphonate via Kabachnik–Fields Reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01355J","","x-ray","0.71073","MoKα","","0.1063","0.054","","","0.0962","0.1098","","","","","","1.019","","","","has coordinates","277337","2022-08-20","00:39:56",""
"7158830","17.026","0.003","13.546","0.002","8.1803","0.0014","90","","90","","90","","1886.7","0.5","100","2","100","2","","","","","","","no","4","P n m a","-P 2ac 2n","62","TripPh(NO2)2","(dinitrophenyl)triptycene","","- C26 H16 N2 O4 -","- C26 H16 N2 O4 -","- C104 H64 N8 O16 -","4","0.5","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0394","0.0393","","","0.0964","0.0965","","","","","","1.054","","","","has coordinates","277341","2022-08-21","00:16:58",""
"7158831","15.5816","0.0004","9.3605","0.0002","31.6875","0.0008","90","","90","","90","","4621.67","0.19","173","2","173","2","","","","","","","no","4","P c a 21","P 2c -2ac","29","(OMe)2PhTripCl3","PhenylTriptyceneDeriv.","","- C28 H19 Cl3 O2 -","- C28 H19 Cl3 O2 -","- C224 H152 Cl24 O16 -","8","2","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0638","0.06","","","0.1566","0.159","","","","","","1.09","","","","has coordinates,has disorder","277341","2022-08-21","00:16:59",""
"7158832","8.5809","0.0001","16.4594","0.0003","20.4778","0.0004","105.107","0.001","97.673","0.001","96.14","0.001","2736.72","0.08","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","TripPh(NH2)2","(diaminophenyl)triptycene","","- C26 H20 N2 -","- C26 H20 N2 -","- C156 H120 N12 -","6","3","","Inami, Hazuki; Inagaki, Yusuke; Setaka, Wataru","Design of Rotational Potential in Phenyltriptycene Molecular Rotor by Exploiting CH/π-Interaction between Tripticil Hydrogen and Phenyl","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01179D","","","1.54178","CuKα","","0.0539","0.0467","","","0.1175","0.1225","","","","","","1.027","","","","has coordinates","277341","2022-08-21","00:16:59",""
"7158833","9.9201","0.0003","7.5619","0.0002","18.7671","0.0005","90","","99.478","0.001","90","","1388.59","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Banerjee, Arpita; Panda, Gautam","Transition metal-free, base mediated one-pot approach for the construction of the benzo[b][1,4,5]oxathiazepine 1-oxide core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01158A","","","0.71073","MoKα","","0.0375","0.03","","","0.1084","0.1158","","","","","","0.925","","","","has coordinates","277351","2022-08-23","00:29:55",""
"7158834","8.482","0.0005","9.2719","0.0006","20.5792","0.0012","90","","95.217","0.002","90","","1611.73","0.17","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Banerjee, Arpita; Panda, Gautam","Transition metal-free, base mediated one-pot approach for the construction of the benzo[b][1,4,5]oxathiazepine 1-oxide core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01158A","","","0.71073","MoKα","","0.0438","0.035","","","0.112","0.1292","","","","","","0.895","","","","has coordinates","277351","2022-08-23","00:29:56",""
"7158835","12.3719","0.0009","11.052","0.0009","18.6624","0.0014","90","","103.575","0.002","90","","2480.5","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl2 N O3 -","- C27 H22 Br Cl2 N O3 -","- C108 H88 Br4 Cl8 N4 O12 -","4","1","","Zhang, Jun-Hao; Jiang, Li-Lin; Hu, Sen-Jie; Li, Jiao-Zhe; Yu, Xuan-Chi; Liu, Fa-Liang; Guan, Yu-Tao; Lei, Ke-Wei; Wei, Wen-Ting","The polychloromethylation/acyloxylation of 1,6-enynes with chloroalkanes and diacyl peroxides through dual-role designs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01330D","","","0.71073","MoKα","","0.0934","0.0425","","","0.0799","0.0973","","","","","","1.005","","","","has coordinates","277352","2022-08-23","00:31:14",""
"7158836","9.3139","0.0003","10.3854","0.0003","24.6159","0.0007","90","","90.422","0.002","90","","2381","0.12","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-isobutyl ACPC tetramer","","- C46 H78 F3 N5 O7 -","- C46 H78 F3 N5 O7 -","- C92 H156 F6 N10 O14 -","2","1","","Kim, Jungyeon; Kobayashi, Hiroka; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Takeuchi, Koh; Umezawa, Koji; Kuroda, Daisuke; Tsumoto, Kouhei; Morimoto, Jumpei; Sando, Shinsuke","Residue-based program of a β-peptoid twisted strand shape via a cyclopentane constraint","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01300B","","","1.54184","CuKα","","0.0393","0.0363","","","0.0943","0.0963","","","","","","1.0556","","","","has coordinates","277353","2022-08-23","00:31:39",""
"7158837","6.309","0.002","9.725","0.003","13.99","0.02","72.28","0.03","86.43","0.03","86.25","0.03","815.1","1.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C28 H36 N4 O16 -","2","1","","Zeng, Yao-Fu; Wu, Jin-Bo; Chen, Jin-Tao; Guo, Yu; Wang, Zhen","Oxidative functionalization of alkylidenecyclopropanes and alkylidenecyclobutanes: a versatile platform to access nitrated cyclopropanes and cyclobutanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01426B","","","0.71073","MoKα","","0.1103","0.0504","","","0.102","0.1307","","","","","","1.035","","","","has coordinates","277354","2022-08-23","00:32:19",""
"7158838","9.438","0.003","11.99","0.003","12.647","0.004","74.614","0.007","89.797","0.007","77.565","0.007","1345.3","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Zeng, Yao-Fu; Wu, Jin-Bo; Chen, Jin-Tao; Guo, Yu; Wang, Zhen","Oxidative functionalization of alkylidenecyclopropanes and alkylidenecyclobutanes: a versatile platform to access nitrated cyclopropanes and cyclobutanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01426B","","","0.71073","MoKα","","0.1332","0.0557","","","0.1203","0.1587","","","","","","0.987","","","","has coordinates","277354","2022-08-23","00:32:19",""
"7158839","12.7017","0.0018","20.368","0.003","10.6831","0.0015","90","","91.573","0.005","90","","2762.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 N3 O5 -","- C32 H29 N3 O5 -","- C128 H116 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.085","0.0491","","","0.1139","0.1304","","","","","","1.02","","","","has coordinates","277399","2022-08-25","00:35:20",""
"7158840","9.2939","0.0012","11.4737","0.0017","13.2237","0.0018","78.635","0.005","87.607","0.004","75.843","0.004","1340.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl N3 O5 -","- C31 H26 Cl N3 O5 -","- C62 H52 Cl2 N6 O10 -","2","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.0786","0.0483","","","0.1079","0.1224","","","","","","1.035","","","","has coordinates,has disorder","277399","2022-08-25","00:35:24",""
"7158841","13.014","0.0014","11.128","0.0011","21.958","0.003","90","","94.274","0.004","90","","3171.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl3 N3 O5 -","- C33 H30 Cl3 N3 O5 -","- C132 H120 Cl12 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1313","0.069","","","0.1786","0.1993","","","","","","1.075","","","","has coordinates","277399","2022-08-25","00:35:26",""
"7158842","9.4166","0.0004","11.3916","0.0005","24.6355","0.0011","90","","94.6982","0.0015","90","","2633.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl N3 O5 -","- C30 H24 Cl N3 O5 -","- C120 H96 Cl4 N12 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.0808","0.0435","","","0.0942","0.1101","","","","","","1.019","","","","has coordinates","277399","2022-08-25","00:35:36",""
"7158843","18.3989","0.0011","11.162","0.0007","12.1197","0.0007","90","","95.609","0.002","90","","2477.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cl N4 O3 -","- C29 H21 Cl N4 O3 -","- C116 H84 Cl4 N16 O12 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1168","0.0511","","","0.0954","0.1164","","","","","","1.013","","","","has coordinates","277399","2022-08-25","00:35:38",""
"7158844","9.0131","0.0009","10.5429","0.0011","14.4302","0.0014","88.781","0.003","86.492","0.003","74.875","0.003","1321.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N4 O5 -","- C32 H26 N4 O5 -","- C64 H52 N8 O10 -","2","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1212","0.0784","","","0.1841","0.2125","","","","","","1.016","","","","has coordinates","277399","2022-08-25","00:35:41",""
"7158845","9.6086","0.001","29.328","0.003","9.6428","0.0011","90","","101.287","0.003","90","","2664.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1006","0.0551","","","0.1232","0.1436","","","","","","1.018","","","","has coordinates","277399","2022-08-25","00:35:43",""
"7158846","11.1314","0.0006","9.2504","0.0005","25.5543","0.0016","90","","100.241","0.002","90","","2589.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","1","","Pan, Liu-Na; Sun, Jing; Liu, Xue-Yan; Yan, Chaoguo","Efficient Construction of Diverse Spiro[indoline-3,4'-pyrrolo[3,4-b]pyridines] via [3+3] Cycloaddition of MBH Carbonates of Isatin with β-Enamino Maleimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01257J","","","0.71073","MoKα","","0.1178","0.0704","","","0.2111","0.2351","","","","","","1.062","","","","has coordinates,has disorder","277399","2022-08-25","00:35:43",""
"7158847","8.638","0.001","13.375","0.001","13.204","0.001","90","","94.7","0.01","90","","1520.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro -1 lambda[6]-[1,2] thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","0.71073","MoKa","","0.0523","0.0352","","0.0975","0.0841","","","","1.044","1.05","1.05","","","","","has coordinates","277406","2022-08-26","00:32:38",""
"7158848","9.2538","0.0003","9.4315","0.0003","11.3689","0.0003","90","","95.714","0.001","90","","987.32","0.05","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O7 -","- C20 H31 N O7 -","- C40 H62 N2 O14 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.025","0.0246","","","0.064","0.0645","","","","","","1.047","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158849","7.881","0.0006","27.687","0.002","7.9772","0.0006","90","","100.257","0.003","90","","1712.8","0.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H44 Cl4 N2 O11 -","- C36 H44 Cl4 N2 O11 -","- C72 H88 Cl8 N4 O22 -","2","1","","Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming","Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01242A","","","1.54178","CuKα","","0.1136","0.1085","","","0.2935","0.3041","","","","","","1.571","","","","has coordinates","277406","2022-08-26","00:32:39",""
"7158850","5.6689","0.0001","10.2755","0.0001","27.477","0.0004","90","","90","","90","","1600.56","0.04","153","2","153","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 -","- C23 H20 -","- C92 H80 -","4","1","","Zhang, Zhebing; Cai, Tao; Zhan, Zhaohui; Xu, Huiting; Yu, Lemao; Luo, Xiang; Li, Chunmei; Gao, Yuzhen; Wei, Xuemei; Chen, Xinzhi; Shen, Run-pu","Assembly of 5H-dibenzo[a,d]cycloheptenes by a formal [5 + 2] annulation of ortho-aryl alkynyl benzyl alcohols with arenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01335E","","","1.54184","CuKα","","0.0365","0.035","","","0.0908","0.0919","","","","","","1.05","","","","has coordinates","277418","2022-08-27","01:20:04",""
"7158851","9.3178","0.0007","9.5087","0.0006","12.5697","0.001","75.759","0.007","74.144","0.007","73.026","0.007","1007.77","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C50 H36 N4 O2 S2 -","2","1","","Shen, Jian; Li, Shumin; Yao, Zhenyu; Lin, Shenghui; Cui, Xiuling","Base-promoted Cyclization Reaction of o-Isothiocyanato Arylacetylenes and Aroylacetonitriles: Easy Access to Benzo[d][1,3]thiazines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01424F","","x-ray","1.54184","CuKα","","0.0618","0.0469","","","0.123","0.1389","","","","","","1.017","","","","has coordinates","277419","2022-08-27","01:20:32",""
"7158852","7.4021","0.0002","23.2039","0.0006","8.3106","0.0002","90","","103.9","0.001","90","","1385.61","0.06","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0542","0.0505","","","0.1189","0.1211","","","","","","1.102","","","","has coordinates","277526","2022-09-01","00:49:10",""
"7158853","13.029","0.003","8.265","0.002","14.612","0.003","90","","99.696","0.008","90","","1551","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0682","0.0501","","","0.1178","0.1276","","","","","","1.043","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158854","21.211","0.009","9.495","0.004","9.43","0.004","90","","100.051","0.011","90","","1870","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0745","0.0492","","","0.1003","0.1114","","","","","","1.033","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158855","7.4433","0.0004","23.3631","0.0013","8.2238","0.0004","90","","103.848","0.002","90","","1388.54","0.13","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cl N O3 S -","- C13 H16 Cl N O3 S -","- C52 H64 Cl4 N4 O12 S4 -","4","1","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0475","0.0387","","","0.0895","0.0936","","","","","","1.066","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158856","37.3753","0.0009","7.6042","0.0003","11.9845","0.0005","90","","93.18","0.001","90","","3400.9","0.2","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","2","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.0832","0.0621","","","0.126","0.1357","","","","","","1.095","","","","has coordinates,has disorder","277526","2022-09-01","00:49:11",""
"7158857","60.154","0.007","7.6235","0.0012","41.742","0.006","90","","121.812","0.004","90","","16267","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H202 N16 O37 S12 -","- C168 H202 N16 O37 S12 -","- C672 H808 N64 O148 S48 -","4","0.5","","Turmanov, Rakhymzhan A.; Smolobochkin, Andrey V.; Gazizov, Almir S.; Rizbayeva, Tanzilya S.; Zapylkin, Danil D.; Voronina, Julia K.; Voloshina, Alexandra D.; Syakaev, Victor V.; Kurenkov, Alexey V.; Burilov, Alexander R.; Pudovik, Michail A.","Enamine-mediated Mannich reaction of cyclic N,O-acetals and amido acetals: the multigram synthesis of pyrrolidine alkaloid precursors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01276F","","","0.71073","MoKα","","0.2177","0.0993","","","0.2245","0.2912","","","","","","1.006","","","","has coordinates","277526","2022-09-01","00:49:11",""
"7158858","5.4394","0.0009","25.596","0.005","30.105","0.007","90","","90","","90","","4191.4","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 N6 -","- C48 H66 N6 -","- C192 H264 N24 -","4","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.2355","0.1071","","","0.2084","0.2887","","","","","","0.974","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158859","16.4016","0.0006","7.9236","0.0002","21.2919","0.0007","90","","98.009","0.003","90","","2740.1","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H88 N6 -","- C62 H88 N6 -","- C124 H176 N12 -","2","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.0757","0.0523","","","0.0961","0.106","","","","","","1.028","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158860","9.4631","0.0007","12.7155","0.0011","19.298","0.0007","86.28","0.005","89.524","0.004","87.865","0.007","2315.5","0.3","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C51 H72 N6 -","- C51 H72 N6 -","- C102 H144 N12 -","2","2","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","1.54184","CuKα","","0.0986","0.0704","","","0.1841","0.2076","","","","","","1.023","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158861","6.3881","0.0004","11.947","0.0007","15.7014","0.0009","90","","98.325","0.003","90","","1185.68","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N O6 -","- C28 H35 N O6 -","- C56 H70 N2 O12 -","2","1","","He, Juan; Yu, Wei-Wei; Isaka, Masahiko; Cox, Russell J.; Liu, Ji-Kai; Feng, Tao","Antroxazole A, an oxazole-containing chamigrane dimer from the fungus Antrodiella albocinnamomea with immunosuppressive activity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01443B","","","1.54178","CuKα","","0.0482","0.041","","","0.1094","0.1168","","","","","","0.85","","","","has coordinates","277528","2022-09-01","00:52:11",""
"7158862","16.672","0.006","11.449","0.004","11.109","0.004","90","","94.864","0.01","90","","2112.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C108 H100 N4 O8 -","4","1","","Yashmin, Sabina; Mondal, Santa; Das, Riyanka; Banerjee, Priyabrata; Khan, Abu Taleb","Regioselective synthetic approach for key precursors of 6-aryl benzo[c]phenanthridin-10-ol derivatives: A useful compound for selective chromogenic recognition of fluoride","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01260J","","","0.71073","MoKα","","0.1536","0.0796","","","0.1904","0.2403","","","","","","1.18","","","","has coordinates","277571","2022-09-02","00:38:14",""
"7158863","19.9343","0.0014","7.2169","0.0005","20.77","0.0014","90","","104.434","0.007","90","","2893.7","0.4","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 I N2 O S -","- C16 H9 I N2 O S -","- C128 H72 I8 N16 O8 S8 -","8","2","","Fang, Yu; Ren, Shangfeng; He, Chen; Han, Huiqi; Liu, Jin-Biao; Liao, Fumin; Yang, Min","Selective halocyclization and iodosulfonylation of <i>N</i>-benzothiazol-2-yl alkynamides under mild conditions.","Organic & biomolecular chemistry","2022","20","33","6550","6553","10.1039/d2ob01165d","","x-ray","0.71073","MoKα","","0.0731","0.0432","","","0.08","0.094","","","","","","1.022","","","","has coordinates","277631","2022-09-05","21:19:29",""
"7158864","13.3918","0.0015","6.3858","0.0009","62.756","0.005","90","","94.619","0.009","90","","5349.3","1.1","190","2","190","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C29 H51.5 O1.75 -","- C29 H51.5 O1.75 -","- C232 H412 O14 -","8","2","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0832","0.0588","","","0.1298","0.1443","","","","","","1.039","","","","has coordinates","277701","2022-09-07","00:35:15",""
"7158865","7.5911","0.0003","15.4627","0.0009","22.8695","0.001","90","","90","","90","","2684.4","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 N -","- C30 H49 N -","- C120 H196 N4 -","4","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0613","0.0538","","","0.1439","0.1519","","","","","","1.036","","","","has coordinates","277701","2022-09-07","00:35:15",""
"7158866","7.5487","0.0003","9.0604","0.0003","19.9497","0.0008","90","","99.087","0.004","90","","1347.32","0.09","190","2","190","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48.8 O -","- C30 H48.8 O -","- C60 H97.6 O2 -","2","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0473","0.045","","","0.1169","0.12","","","","","","1.072","","","","has coordinates,has disorder","277701","2022-09-07","00:35:15",""
"7158867","8.379","0.0013","10.2477","0.0016","12.547","0.002","94.605","0.003","108.73","0.004","98.534","0.004","999.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","","Gómez-Prado, Raúl A.; Silva, Ana L.; Miranda, Luis D.","Synthesis of nuevamine and a cyano-chilenine analog via divergent C(sp3)–H bond functionalization of isoindolinone derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01304E","","","0.71073","MoKα","","0.0943","0.0558","","","0.134","0.1607","","","","","","1.066","","","","has coordinates","277731","2022-09-08","00:47:17",""
"7158868","9.0958","0.0002","11.0238","0.0003","16.3016","0.0003","90","","98.035","0.002","90","","1618.52","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F O4 S -","- C19 H17 F O4 S -","- C76 H68 F4 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0415","0.0332","","","0.0755","0.0783","","","","","","1.037","","","","has coordinates","277744","2022-09-09","00:34:48",""
"7158869","10.5216","0.0003","14.9812","0.0004","15.0603","0.0003","114.737","0.002","100.424","0.002","104.503","0.002","1974.08","0.11","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12.5 F0.5 O1.5 S0.5 -","- C11 H12.5 F0.5 O1.5 S0.5 -","- C88 H100 F4 O12 S4 -","8","4","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0626","0.0432","","","0.1083","0.115","","","","","","1.079","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158870","5.5686","0.0002","9.5682","0.0003","15.1726","0.0005","105.346","0.003","92.676","0.002","102.631","0.003","756.02","0.05","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 O3 S -","- C16 H22 O3 S -","- C32 H44 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.067","0.0572","","","0.1449","0.1489","","","","","","1.088","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158871","8.1912","0.0003","6.0583","0.0002","25.2332","0.0011","90","","92.806","0.004","90","","1250.69","0.08","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0921","0.0854","","","0.205","0.207","","","","","","1.195","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158872","8.1798","0.0003","8.2382","0.0004","12.9438","0.0007","88.093","0.004","81.665","0.004","73.51","0.004","827.5","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 F O3 S -","- C19 H19 F O3 S -","- C38 H38 F2 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0459","0.0375","","","0.0928","0.0971","","","","","","1.06","","","","has coordinates","277744","2022-09-09","00:34:49",""
"7158873","6.8713","0.0001","10.4176","0.0003","11.8932","0.0003","99.558","0.002","105.692","0.002","96.77","0.002","796.27","0.03","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F O3 S -","- C18 H17 F O3 S -","- C36 H34 F2 O6 S2 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0484","0.0416","","","0.1025","0.1059","","","","","","1.076","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158874","5.8863","0.0001","9.489","0.0002","29.6414","0.0007","90","","90","","90","","1655.62","0.06","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C76 H72 F8 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0336","0.0314","","","0.0767","0.078","","","","","","1.034","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158875","14.9529","0.0003","7.5254","0.0001","15.8144","0.0003","90","","106.409","0.002","90","","1707.06","0.06","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl F O3 S -","- C19 H18 Cl F O3 S -","- C76 H72 Cl4 F4 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0343","0.0307","","","0.0783","0.0799","","","","","","1.062","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158876","14.5435","0.0003","6.0581","0.0002","20.5872","0.0004","90","","93.464","0.002","90","","1810.54","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl O4 S -","- C19 H23 Cl O4 S -","- C76 H92 Cl4 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0346","0.0315","","","0.0821","0.0838","","","","","","1.074","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158877","9.631","0.0002","19.7773","0.0004","20.869","0.0004","90","","90","","90","","3975.03","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C152 H200 F24 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0357","0.032","","","0.0757","0.0779","","","","","","1.081","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158878","9.8654","0.0002","19.9514","0.0004","21.5323","0.0004","90","","90","","90","","4238.17","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C160 H200 F40 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0304","0.0272","","","0.0619","0.0633","","","","","","1.06","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158879","6.2877","0.0003","16.4671","0.0006","21.5393","0.0008","90","","90","","90","","2230.18","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.1012","0.065","","","0.1097","0.1237","","","","","","1.09","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158880","10.892","0.0003","9.1572","0.0003","20.2956","0.0006","90","","92.65","0.002","90","","2022.12","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0885","0.0662","","","0.1643","0.1822","","","","","","1.025","","","","has coordinates,has disorder","277745","2022-09-09","00:36:23",""
"7158881","9.197","0.0002","10.9472","0.0002","21.0651","0.0004","90","","90","","90","","2120.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0261","0.025","","","0.06","0.0608","","","","","","1.073","","","","has coordinates","277745","2022-09-09","00:36:24",""
"7158882","21.345","0.003","3.9444","0.0005","14.7541","0.0019","90","","100.455","0.005","90","","1221.6","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H9 Cl O S -","- C15 H9 Cl O S -","- C60 H36 Cl4 O4 S4 -","4","1","","Soundarya, Palanisamy; Sekar, Govindasamy","Cu-Catalyzed and iodine mediated synthesis of thioaurones via in situ C–S bond generation using xanthate as a sulfur surrogate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01211A","","","0.71073","MoKα","","0.0322","0.0278","","","0.0582","0.0614","","","","","","1.041","","","","has coordinates","277822","2022-09-14","00:30:27",""
"7158883","7.0327","0.0012","7.7486","0.0014","11.892","0.002","84.539","0.009","79.04","0.009","76.596","0.009","618","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Soundarya, Palanisamy; Sekar, Govindasamy","Cu-Catalyzed and iodine mediated synthesis of thioaurones via in situ C–S bond generation using xanthate as a sulfur surrogate","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01211A","","","0.71073","MoKα","","0.1076","0.0792","","","0.2128","0.2405","","","","","","1.013","","","","has coordinates","277822","2022-09-14","00:30:27",""
"7158884","21.891","0.005","11.795","0.002","8.809","0.002","90","","93.038","0.008","90","","2271.3","0.8","200","2","200.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 F3 N2 O -","- C12 H9 F3 N2 O -","- C96 H72 F24 N16 O8 -","8","1","","Zhao, Haoqiang; Zeng, Qi; yang, ji; Xu, Bing; Lei, Haimin; Xu, Lijin; Walsh, Patrick","Rhodium(I)-Catalyzed Directed Trideuteromethylation of (Hetero)arene C–H Bonds with CD3CO2D","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01581A","","","0.71073","MoKα","","0.1206","0.0633","","","0.1892","0.2599","","","","","","0.881","","","","has coordinates,has disorder","277860","2022-09-15","00:14:56",""
"7158885","12.5969","0.0007","7.4254","0.0003","15.4359","0.0008","90","","113.168","0.007","90","","1327.39","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N4 -","- C15 H17 N4 -","- C60 H68 N16 -","4","1","","Zhao, Haoqiang; Zeng, Qi; yang, ji; Xu, Bing; Lei, Haimin; Xu, Lijin; Walsh, Patrick","Rhodium(I)-Catalyzed Directed Trideuteromethylation of (Hetero)arene C–H Bonds with CD3CO2D","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01581A","","","1.54184","CuKα","","0.0512","0.0435","","","0.1257","0.1321","","","","","","1.094","","","","has coordinates","277860","2022-09-15","00:14:57",""
"7158886","19.4107","0.0003","14.5657","0.0002","38.5152","0.0006","90","","98.1706","0.0015","90","","10778.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 N4 O5 S -","- C23 H46 N4 O5 S -","- C368 H736 N64 O80 S16 -","16","4","","Ellaby, Rebecca J.; White, Lisa J.; Boles, Jessica E.; Ozturk, Sena; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles as aqueous pollutant scavengers","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01365G","","x-ray","1.54184","CuKα","","0.1384","0.1","","","0.2395","0.2723","","","","","","1.022","","","","has coordinates,has disorder","277945","2022-09-17","21:41:31",""
"7158887","8.2","0.003","14.629","0.005","17.002","0.006","102.494","0.007","94.881","0.005","91.629","0.005","1981.7","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 Cl2 N4 O6 S2 -","- C41 H36 Cl2 N4 O6 S2 -","- C82 H72 Cl4 N8 O12 S4 -","2","1","","Meng, Xiangrui; Guo, Weisi; Nan, Guang-Ming; Li, Ming","Synthesis of pyrrole disulfides via umpolung of β-ketothioamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01506D","","","0.71073","MoKα","","0.096","0.0772","","","0.1684","0.1797","","","","","","1.115","","","","has coordinates,has disorder","278020","2022-09-21","00:32:44",""
"7158888","12.7423","0.0004","15.4301","0.0006","25.1881","0.0008","90","","99.673","0.003","90","","4881.9","0.3","112.6","0.5","112.6","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.44 H44.6 Cl3.84 N6 O4.72 P -","- C51.44 H44.6 Cl3.84 N6 O4.72 P -","- C205.76 H178.4 Cl15.36 N24 O18.88 P4 -","4","1","","He, Lijun; Jiang, Chenyang; Chen, Zhuoyue; Ma, Dejun; Yi, Long; Xi, Zhen","A triple-diazonium reagent for virus crosslinking and the synthesis of an azo-linked molecular cage","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01583H","","x-ray","0.71073","MoKα","","0.0863","0.0598","","","0.1258","0.1404","","","","","","1.032","","","","has coordinates,has disorder","278099","2022-09-23","00:44:46",""
"7158889","30.271","0.003","19.1087","0.0018","9.045","0.0009","90","","94.914","0.003","90","","5212.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O2 -","- C68 H48 N4 O2 -","- C272 H192 N16 O8 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.2503","0.0825","","","0.1572","0.2425","","","","","","1.002","","","","has coordinates","278100","2022-09-23","00:45:32",""
"7158890","18.9851","0.0013","9.842","0.0007","19.9967","0.0016","90","","107.793","0.002","90","","3557.7","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C192 H160 N16 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.1008","0.0603","","","0.1344","0.1634","","","","","","1.053","","","","has coordinates","278100","2022-09-23","00:45:35",""
"7158891","13.9488","0.0004","11.7242","0.0003","17.1824","0.0004","90","","95.74","0.001","90","","2795.89","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N2 O2 -","- C36 H30 N2 O2 -","- C144 H120 N8 O8 -","4","1","","Jiang, Yitian; Liu, Miaochang; Wang, Mengzhu; Lei, yunxiang; Ding, Qiuping; Wu, Huayue; Huang, Xiaobo","Unexpected synthesis, delayed emission and solid-state acidochromism of novel 2,7-naphthyridine derivatives obtained from 2-(3,5-diaryl-4H-pyran-4-ylidene)malononitrile","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01336C","","","0.71073","MoKα","","0.0714","0.0492","","","0.1302","0.1503","","","","","","1.011","","","","has coordinates","278100","2022-09-23","00:45:36",""
"7158892","11.8903","0.0006","15.0921","0.0007","14.6135","0.0007","90","","113.651","0.001","90","","2402.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Organic","","","- C26 H22 I N O4 S -","- C26 H22 I N O4 S -","- C104 H88 I4 N4 O16 S4 -","4","1","","Sivanantham, Mathiyazhagan; Jennifer G, Abigail; Varathan, E.; Ramasamy, Mohankumar; Senadi, Gopal Chandru","Iodo-Sulphonylation of 1,6-Enynones: A Metal-Free Strategy to Synthesize N-Substituted Succinimides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01277D","","","0.71073","MoKα","","0.051","0.034","","","0.0733","0.0827","","","","","","1.042","","","","has coordinates","278101","2022-09-23","00:46:08",""
"7158893","5.119","0.0005","11.5332","0.0011","11.6739","0.0011","100.61","0.003","92.588","0.003","94.229","0.003","674.37","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Vartanova, Anna E.; Levina, Irina I.; Ratmanova, Nina K.; Andreev, Ivan A.; Ivanova, Olga A.; Trushkov, Igor V.","Ambident reactivity of 5-aminopyrazoles towards donor–acceptor cyclopropanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01490D","","","0.71073","MoKα","","0.084","0.0534","","","0.1386","0.1618","","","","","","1.034","","","","has coordinates","278145","2022-09-26","15:26:38",""
"7158894","23.691","0.004","6.0862","0.0009","18.277","0.003","90","","107.034","0.012","90","","2519.7","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","L4","","- C14 H15 N2 O2 -","- C14 H15 N2 O2 -","- C112 H120 N16 O16 -","8","1","","Caltagirone, Claudia; Picci, Giacomo; Quesada, Roberto; Carreira-Barral, Israel; Alonso-Carrillo, Daniel; Milia, Jessica; Busonera, Chiara","The role of indolyl substituents in squaramide-based anionophores","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01444K","","","1.54178","CuKα","","0.1206","0.0951","","","0.289","0.3177","","","","","","1.184","","","","has coordinates","278146","2022-09-26","15:26:50",""
"7158895","16.7881","0.0005","16.8007","0.0005","17.4748","0.0005","94.201","0.002","112.935","0.002","119.085","0.001","3749.5","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","L6.TBACl","","- C18 H23.5 Cl0.5 F3 N2 O -","- C18 H23.5 Cl0.5 F3 N2 O -","- C144 H188 Cl4 F24 N16 O8 -","8","4","","Caltagirone, Claudia; Picci, Giacomo; Quesada, Roberto; Carreira-Barral, Israel; Alonso-Carrillo, Daniel; Milia, Jessica; Busonera, Chiara","The role of indolyl substituents in squaramide-based anionophores","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01444K","","","1.54178","CuKα","","0.1248","0.0703","","","0.1845","0.2541","","","","","","1.066","","","","has coordinates,has disorder","278146","2022-09-26","15:26:54",""
"7158896","7.9942","0.0002","10.5274","0.0003","29.6819","0.0008","90","","90","","90","","2497.97","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","boneratamide A","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C100 H160 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0479","0.0468","","","0.1294","0.1305","","","","","","1.051","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158897","17.0655","0.0008","10.6435","0.0005","16.6001","0.0008","90","","116.597","0.008","90","","2696.1","0.3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H41 N2 O4 -","- C27 H41 N2 O4 -","- C108 H164 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0559","0.0543","","","0.1549","0.1571","","","","","","1.064","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158898","10.342","0.0006","20.8081","0.0013","10.0336","0.0006","90","","93.121","0.005","90","","2156","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N O3 S -","- C25 H18 Cl N O3 S -","- C100 H72 Cl4 N4 O12 S4 -","4","1","","Wang, Xinyue; Zeng, Heyang; Zhang, Wenli; Guo, Haiyang; Jin, Tao; Shi, Senlei; Jin, Xiaoyuan; Qu, Na; Liu, Li; Zhang, Lianpeng","Copper-Catalyzed Construction of (Z)-Benzo[cd]indoles: Stereoselective Intramolecular trans-Addition and SN-Ar Reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01488B","","","0.71073","MoKα","","0.1018","0.0589","","","0.1307","0.1573","","","","","","1.0375","","","","has coordinates","278202","2022-09-27","00:39:40",""
"7158899","9.9425","0.0003","10.2918","0.0003","10.7151","0.0003","62.219","0.001","83.872","0.001","86.738","0.001","964.48","0.05","103","2","103","2","","","","","","","","6","P -1","-P 1","2","86","","","- C19 H22 I N O4 S -","- C19 H22 I N O4 S -","- C38 H44 I2 N2 O8 S2 -","2","1","","Gao, Li; Kraus, Yvonne; Stegner, Andrea Anna Therese; Wein, Thomas; Heise, Constanze; von Brunn, Leonie; Fajardo-Ruiz, Elena; Thorn-Seshold, Julia; Thorn-Seshold, Oliver","Self-reporting styrylthiazolium photopharmaceuticals: mitochondrial localisation as well as SAR drive biological activity","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00347C","","","0.71073","MoKα","","0.0253","0.0221","","","0.0548","0.0566","","","","","","1.073","","","","has coordinates","278203","2022-09-27","00:40:01",""
"7158900","7.2094","0.0004","7.5386","0.0003","19.1587","0.0008","90","","98.214","0.003","90","","1030.57","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N4 O9 -","- C19 H20 N4 O9 -","- C38 H40 N8 O18 -","2","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0565","0.0528","","","0.1483","0.1521","","","","","","1.06","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158901","8.3904","0.0003","9.2903","0.0003","11.4586","0.0004","77.406","0.002","89.956","0.002","77.501","0.002","850.03","0.05","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","- C36 H32 N6 O14 -","1","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0382","0.0369","","","0.1091","0.1107","","","","","","1.106","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158902","6.9989","0.0002","9.8927","0.0003","28.24","0.0007","90","","97.006","0.001","90","","1940.68","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N5 O10 -","- C18 H15 N5 O10 -","- C72 H60 N20 O40 -","4","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0411","0.0378","","","0.1001","0.1028","","","","","","1.042","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158903","7.0718","0.0002","27.8784","0.0008","12.1169","0.0004","90","","106.641","0.002","90","","2288.8","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N5 O14 S -","- C17 H21 N5 O14 S -","- C68 H84 N20 O56 S4 -","4","1","","Sánchez Santos, Estela; Garrido-González, José J.; Fuentes de Arriba, Angel L.; Rodríguez-Sahagún, Ligzajaya; Habib, Asmaa; Sanz, Francisca; Martin del Valle, Eva; Rodriguez Moran, Joaquin; Alcazar, Victoria","Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01650H","","","1.54178","CuKα","","0.0577","0.0488","","","0.1292","0.1399","","","","","","1.059","","","","has coordinates","278261","2022-09-29","00:45:49",""
"7158904","6.7152","0.0003","8.4818","0.0003","12.1254","0.0005","72.066","0.002","79.913","0.002","73.87","0.002","628.16","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","Singh, Shashank; Singh, Ravi P.","Visible-light-induced alkylation of 2-iminochromene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01584F","","","0.71073","MoKα","","0.0581","0.0467","","","0.1918","0.2172","","","","","","0.912","","","","has coordinates","278271","2022-09-30","00:33:39",""
"7158905","13.8434","0.0014","14.8766","0.0013","16.0001","0.0016","117.393","0.003","111.71","0.003","93.822","0.003","2603.7","0.5","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H21 F5 -","- C35 H21 F5 -","- C140 H84 F20 -","4","2","","Sharma, Himanshu; Bhardwaj, Nikhil; Das, Soumyajit","Revisiting indeno[1,2-b]fluorene by steric promoted synthesis while isolating the second stable 4nπ indeno[2,1-a]fluorene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01632J","","x-ray","0.71073","MoKα","","0.1234","0.0619","","","0.16","0.2111","","","","","","1.033","","","","has coordinates","278272","2022-09-30","00:34:09",""
"7158906","26.325","0.003","8.0202","0.001","24.777","0.003","90","","97.845","0.004","90","","5182.3","1.1","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 F5 -","- C35 H21 F5 -","- C280 H168 F40 -","8","1","","Sharma, Himanshu; Bhardwaj, Nikhil; Das, Soumyajit","Revisiting indeno[1,2-b]fluorene by steric promoted synthesis while isolating the second stable 4nπ indeno[2,1-a]fluorene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01632J","","x-ray","0.71073","MoKα","","0.1696","0.0827","","","0.2053","0.2682","","","","","","1.023","","","","has coordinates","278272","2022-09-30","00:34:09",""
"7158907","14.9863","0.0004","10.2397","0.0002","29.0026","0.0007","90","","99.099","0.002","90","","4394.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C168 H312 N24 O24 -","8","2","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","1.54184","CuKα","","0.0805","0.0685","","","0.1847","0.2035","","","","","","1.062","","","","has coordinates","278273","2022-09-30","00:34:52",""
"7158908","11.0907","0.0015","13.7298","0.0018","14.719","0.002","93.871","0.007","105.927","0.006","106.101","0.006","2045.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H71 N5 O6 -","- C37 H71 N5 O6 -","- C74 H142 N10 O12 -","2","1","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","0.71073","MoKα","","0.0796","0.0506","","","0.1275","0.1461","","","","","","1.038","","","","has coordinates","278273","2022-09-30","00:34:53",""
"7158909","12.3196","0.0004","18.8338","0.0006","21.4438","0.0008","67.3","0.003","79.441","0.003","89.706","0.002","4500.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 N4 O4 -","- C28 H52 N4 O4 -","- C168 H312 N24 O24 -","6","3","","Angelici, Gaetano; Bhattacharjee, Nicholus; Pypec, Maxime; Jouffret, Laurent; Didierjean, Claude; Jolibois, Franck; Perrin, Lionel; Roy, Olivier; Taillefumier, Claude","Unveiling the conformational landscape of achiral all-cis tert-butyl β-peptoids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01351G","","","1.54184","CuKα","","0.1217","0.0814","","","0.2177","0.2569","","","","","","1.05","","","","has coordinates","278273","2022-09-30","00:34:53",""
"7158910","10.8581","0.0016","14.632","0.002","27.589","0.004","90","","90","","90","","4383.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","MBC_240","","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C188 H172 Cl12 F8 N16 O24 -","8","2","","Chaudhari, Moreshwar B.; Gupta, Prachi; Llanes, Patricia; Zhou, Leijie; Zanda, Nicola; Pericas, Miquel A.","A sustainable, enantio- and diastereoselective approach to indoloquinolizidines in continuous flow","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01462A","","","0.71075","MoKα","","0.1856","0.0762","","","0.1689","0.2042","","","","","","1.028","","","","has coordinates,has disorder","278347","2022-10-05","00:42:22",""
"7158911","8.8005","0.0012","11.8789","0.0016","12.2138","0.0017","90.098","0.011","97.747","0.011","110.017","0.013","1187.2","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl F2 N O -","- C12 H12 Cl F2 N O -","- C48 H48 Cl4 F8 N4 O4 -","4","2","","Chen, Zunsheng; Xie, Xin; Chen, Weiming; Luo, Nianhua; Li, Xiaoning; Yu, Fuchao; Huang, Jiuzhong","Facial Access to 2,2-Difluoro-2,3-dihydrofuran Skeleton without Extra Additive: DMF-Promoted Difluorocarbene Formation of ClCF2CO2Na","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01542K","","x-ray","0.71073","MoKα","","0.1003","0.0787","","","0.22","0.2424","","","","","","1.048","","","","has coordinates","278348","2022-10-05","00:42:43",""
"7158912","7.4769","0.0015","8.5894","0.0017","16.333","0.003","90","","91.27","0.03","90","","1048.7","0.4","113","2","113","2","","","","","","","methanol/chloroform","3","P 1 21/n 1","-P 2yn","14","cyclomer-1","1-dimer","","- C28 H16 O8 -","- C28 H16 O8 -","- C56 H32 O16 -","2","0.5","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.0644","0.0539","","","0.1424","0.146","","","","","","1.133","","","","has coordinates","278349","2022-10-05","00:43:27",""
"7158913","18.435","0.004","7.4378","0.0015","19.155","0.004","90","","92.16","0.03","90","","2624.6","1","113","2","113","2","","","","","","","methanol/chloroform","3","P 1 2/n 1","-P 2yac","13","cyclomer-1","1-tetramer","","- C56 H32 O16 -","- C56 H32 O16 -","- C112 H64 O32 -","2","0.5","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.1147","0.1063","","","0.352","0.3678","","","","","","1.16","","","","has coordinates","278349","2022-10-05","00:43:28",""
"7158914","10.888","0.001","13.881","0.0012","25.599","0.002","91.993","0.008","97.768","0.008","104.694","0.004","3698.4","0.6","113","2","113","2","","","","","","","methanol/chloroform","4","P -1","-P 1","2","cyclomer-1","1-trimer","","- C42.5 H24.5 Cl1.5 O12 -","- C42.5 H24.5 Cl1.5 O12 -","- C170 H98 Cl6 O48 -","4","2","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71075","MoKα","","0.0829","0.0575","","","0.1227","0.136","","","","","","1.062","","","","has coordinates","278349","2022-10-05","00:43:28",""
"7158915","9.672","0.002","11.175","0.003","15.326","0.003","93.479","0.004","93.467","0.004","92.039","0.004","1649.1","0.6","100","2","100.15","","","","","","","","THF/chloroform","3","P 1","P 1","1","cyclomer-1","1-pentamer","","- C78 H56 O22 -","- C78 H56 O22 -","- C78 H56 O22 -","1","1","","Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun","Porous Materials Formed by Four Self-construction Processes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01530G","","","0.71073","MoKα","","0.0812","0.0493","","","0.0976","0.112","","","","","","1.044","","","","has coordinates,has disorder","278349","2022-10-05","00:43:28",""
"7158916","13.486","0.003","14.311","0.003","24.277","0.006","90","","99.61","0.013","90","","4619.7","1.8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Br Cl N2 O3 -","- C25 H20 Br Cl N2 O3 -","- C200 H160 Br8 Cl8 N16 O24 -","8","1","","Maji, Biswajit; Shukla, Pushpendra Mani; Pratap, Aniruddh","N-Heterocyclic Carbene-catalysed Homoenolate Addition Reaction to 3-Cyano-2-imino-2H-chromenes: Synthesis of C4-Functionalized 2-Amino-3-cyano-4H-chromene","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01447E","","","0.71073","MoKα","","0.0976","0.0589","","","0.1286","0.1455","","","","","","1.037","","","","has coordinates","278392","2022-10-07","00:37:16",""
"7158917","13.785","0.0006","14.0217","0.0007","29.4717","0.0013","90","","90","","90","","5696.6","0.5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H28 N2 O4 S -","- C34 H28 N2 O4 S -","- C272 H224 N16 O32 S8 -","8","1","","Dehghanpour Kalan, Reza; Amiri, Kamran; Rominger, Frank -; Balalaie, Saeed; Bijanzadeh, Hamid Reza","Regio- and diastereoselective transition metal-free hydroalkylation of N-allenyl sulfonamides by push-pull 2-alkynylquinolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01362B","","","0.71073","MoKα","","0.1147","0.0535","","","0.1046","0.1296","","","","","","1.014","","","","has coordinates","278497","2022-10-08","00:38:24",""
"7158918","8.7937","0.0007","10.0005","0.0008","11.2448","0.0009","92.85","0.001","111.87","0.001","95.702","0.001","909.14","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-chloro-6'-methyl-2,2'-spirobi[chromene]-3-carboxylate","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C42 H34 Cl2 O8 -","2","1","","Mudulkar, Sairam; Kolla, Sai Teja; Balasubramanian, Sridhar; Bhimapaka, China Raju","BF3•OEt2-Catalyzed synthesis of 2,2'-spirobi-2H-1-benzopyrans from 2H-chromenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01286C","","","0.71073","MoKα","","0.0518","0.0443","","","0.1275","0.1351","","","","","","1.041","","","","has coordinates","278504","2022-10-09","00:29:24",""
"7158919","10.1834","0.0002","12.1739","0.0002","15.8758","0.0002","92.9","0.001","107.451","0.001","105.81","0.002","1787.67","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Br N2 O5 S2 -","- C39 H37 Br N2 O5 S2 -","- C78 H74 Br2 N4 O10 S4 -","2","1","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0361","0.0314","","","0.0742","0.0761","","","","","","1.074","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158920","10.7902","0.0002","15.7345","0.0004","21.217","0.0006","90","","90","","90","","3602.19","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl N2 O5 S2 -","- C39 H35 Cl N2 O5 S2 -","- C156 H140 Cl4 N8 O20 S8 -","4","1","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0824","0.0616","","","0.1462","0.1606","","","","","","1.064","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158921","10.2253","0.0002","11.0686","0.0002","22.4374","0.0005","103.079","0.002","97.132","0.002","100.779","0.002","2392.88","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 O3 S2 -","- C27 H22 O3 S2 -","- C108 H88 O12 S8 -","4","2","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0629","0.0566","","","0.1547","0.1597","","","","","","1.084","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158922","15.399","0.003","20.418","0.004","37.681","0.007","73.211","0.005","84.095","0.005","68.074","0.005","10522","4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H44 N4 O10 -","- C48 H44 N4 O10 -","- C384 H352 N32 O80 -","8","4","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.1694","0.1225","","","0.3404","0.3706","","","","","","1.284","","","","has coordinates,has disorder","278559","2022-10-13","00:50:34",""
"7158923","7.4851","0.0002","11.8514","0.0003","25.8916","0.0009","90","","90","","90","","2296.82","0.12","296.15","","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","model","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","0.5","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","1.54178","CuKα","","0.0753","0.0669","","","0.1595","0.1634","","","","","","1.224","","","","has coordinates","278559","2022-10-13","00:50:34",""
"7158924","47.0846","0.0012","47.0846","0.0012","10.6294","0.0005","90","","90","","120","","20407.8","1.2","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","macrocycle","","- C48 H44 N4 O10 -","- C48 H44 N4 O10 -","- C864 H792 N72 O180 -","18","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.0853","0.0589","","","0.1409","0.1556","","","","","","1.032","","","","has coordinates","278559","2022-10-13","00:50:35",""
"7158925","11.2993","0.0015","14.0697","0.0018","7.376","0.001","90","","101.923","0.004","90","","1147.3","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","diformyl diphenol ether","","- C14 H10 O5 -","- C14 H10 O5 -","- C56 H40 O20 -","4","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","x-ray","0.71073","MoKα","","0.0502","0.0387","","","0.1012","0.1092","","","","","","1.046","","","","has coordinates","278559","2022-10-13","00:50:35",""
"7158926","17.0998","0.0007","18.8164","0.0007","29.2275","0.0011","90","","90","","90","","9404.1","0.6","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","macrocycle","","- C52 H50 N6 O10 -","- C52 H50 N6 O10 -","- C416 H400 N48 O80 -","8","1","","Chaudhry, Mohammad T.; Patrick, Brian O.; Akine, Shigehisa; MacLachlan, Mark J.","Noncooperative guest binding by metal-free [2 + 2] Schiff-base macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01511K","","","1.54178","CuKα","","0.0752","0.0532","","","0.1332","0.1533","","","","","","1.063","","","","has coordinates,has disorder","278559","2022-10-13","00:50:35",""
"7158927","5.8239","0.0014","15.77","0.004","9.954","0.003","90","","98.11","0.006","90","","905.1","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C44 H32 N4 O2 S2 -","2","1","","Dong, Zhi-Bing; Xu, Xiao-Hu","Iodine promoted cyclization of N,N'-diphenylthiocarbamides with enaminones：a protocol for the synthesis of poly-substituted 2-iminothiazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01477G","","","0.71073","MoKα","","0.0775","0.0436","","","0.075","0.0886","","","","","","1.076","","","","has coordinates","278576","2022-10-14","00:35:37",""
"7158928","7.8108","0.0002","6.5963","0.0002","13.6805","0.0004","90","","96.914","0.002","90","","699.73","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail","New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01675C","","x-ray","1.54184","CuKα","","0.0328","0.0322","","","0.0834","0.084","","","","","","1.064","","","","has coordinates","278601","2022-10-15","00:43:29",""
"7158929","9.9484","0.0003","9.9484","0.0003","11.8653","0.0004","90","","90","","120","","1016.99","0.06","100.15","","100.15","","","","","","","","","5","P 31","P 31","144","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C48 H54 F3 N3 O6 -","3","1","","Bannykh, Anton; Levashova, Ekaterina; Bakulina, Olga; Krasavin, Mikhail","New Reagent Space and New Scope for the Castagnoli-Cushman Reaction of Oximes and 3-Arylglutaconic anhydrides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01675C","","","1.54184","CuKα","","0.0344","0.0324","","","0.0817","0.0827","","","","","","1.084","","","","has coordinates","278601","2022-10-15","00:43:30",""
"7158930","17.155","0.005","4.3367","0.0014","21.762","0.007","90","","110.294","0.014","90","","1518.5","0.8","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C72 H56 Br4 N4 O12 -","4","1","","Wang, Yingxiao; Xie, Jianwei; Lu, Ping; Wang, Yanguang","Rh(II)-Catalyzed Synthesis of 5H-Isochromeno[3,4-b]indolizines from 4-Diazoisochroman-3-imines and Pyridines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01400A","","","0.71073","MoKα","","0.0233","0.0204","","","0.053","0.0545","","","","","","1.056","","","","has coordinates","278602","2022-10-15","00:44:01",""
"7158931","10.7668","0.0003","18.0397","0.0005","15.5823","0.0005","90","","93.899","0.001","90","","3019.54","0.15","100","2","100","2","","","","","","","no","3","P 1 21/n 1","-P 2yn","14","C12NNp","C12Np","","- C34 H54 N2 -","- C34 H54 N2 -","- C136 H216 N8 -","4","1","","Kurimoto, Taichi; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and Rotational Dynamics of Diazamacrocycles Having Bridged 1,4-Naphthylene as Framed Molecular Rotors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01613C","","","1.54178","CuKα","","0.0413","0.0404","","","0.1057","0.1062","","","","","","1.03","","","","has coordinates","278603","2022-10-15","00:44:40",""
"7158932","11.7462","0.0014","9.5109","0.0012","30.593","0.004","90","","90.057","0.006","90","","3417.8","0.7","123","2","123","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","C14NNp","C14Np","","- C38 H62 N2 -","- C38 H62 N2 -","- C152 H248 N8 -","4","1","","Kurimoto, Taichi; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru","Synthesis and Rotational Dynamics of Diazamacrocycles Having Bridged 1,4-Naphthylene as Framed Molecular Rotors","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01613C","","","1.54178","CuKα","","0.1059","0.0994","","","0.272","0.275","","","","","","1.144","","","","has coordinates,has disorder","278603","2022-10-15","00:44:40",""
"7158933","7.7049","0.0007","8.0698","0.0006","9.0862","0.0008","74.601","0.003","77.073","0.003","82.099","0.003","529.03","0.08","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","P-1","","- C8 H6 F3 N O4 S -","- C8 H6 F3 N O4 S -","- C16 H12 F6 N2 O8 S2 -","2","1","","Yao, Yunfei; Lin, Bo; Wu, Minze; Zhang, Yafang; Huang, Yangjie; Han, Xiaoyan; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl thiazoles via [3 + 2] cycloaddition of pyridinium 1,4-zwitterionic thiolates with CF3CN","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01749K","","","0.71073","MoKα","","0.0272","0.0263","","","0.0652","0.0658","","","","","","1.043","","","","has coordinates","278606","2022-10-16","00:30:56",""
"7158934","4.8566","0.0002","35.3036","0.0013","10.3267","0.0004","90","","96.951","0.004","90","","1757.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N O3 S -","- C18 H12 F3 N O3 S -","- C72 H48 F12 N4 O12 S4 -","4","1","","Yao, Yunfei; Lin, Bo; Wu, Minze; Zhang, Yafang; Huang, Yangjie; Han, Xiaoyan; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl thiazoles via [3 + 2] cycloaddition of pyridinium 1,4-zwitterionic thiolates with CF3CN","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01749K","","x-ray","1.54184","CuKα","","0.0894","0.063","","","0.2008","0.2214","","","","","","1.098","","","","has coordinates","278606","2022-10-16","00:30:56",""
"7158935","5.8041","0.0001","27.2425","0.0004","9.8185","0.0002","90","","106.473","0.002","90","","1488.76","0.05","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'ethyl 2-(4-(((tert-butoxycarbonyl)amino)methyl) -5-fluoro-1H-1,2,3-triazol-1-yl)acetate '","","- C12 H19 F N4 O4 -","- C12 H19 F N4 O4 -","- C48 H76 F4 N16 O16 -","4","1","","Crousse, Benoit; Ghermani, Nour Eddine; Ongeri, Sandrine; Gillet, Jean-Michel; Retailleau, Pascal; laxio-arenas, Jose","5-Fluoro-1,2,3-triazole motif in peptides and its electronic properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01716D","","x-ray","0.71073","MoKα","","0.0347","0.0347","","","0.0562","0.0565","","","","","","3.237","","","","has coordinates","278624","2022-10-18","00:52:48",""
"7158936","13.729","0.006","5.448","0.002","23.303","0.01","90","","104.322","0.007","90","","1688.8","1.2","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Biswas, Subrata; Duari, Surajit; Maity, Srabani; Roy, Arnab; Elsharif, Asma M.; Biswas, Srijit","(3 + 2) cycloaddition of 2-alkoxynaphthalenes with azaoxyallyl cations: access to benzo[e]indolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01441F","","","0.71073","MoKα","","0.0657","0.0435","","","0.1025","0.1191","","","","","","1.013","","","","has coordinates","278636","2022-10-19","00:42:37",""
"7158937","6.3096","0.0002","12.9213","0.0004","26.6212","0.0008","90","","90","","90","","2170.38","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0357","0.032","","","0.0824","0.084","","","","","","1.066","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158938","11.5874","0.0003","6.3337","0.0002","15.8579","0.0004","90","","92.194","0.001","90","","1162.98","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C48 H70 N2 O6 Si2 -","2","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","0.71073","MoKα","","0.0308","0.0274","","","0.0657","0.0686","","","","","","1.044","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158939","6.4355","0.0001","11.0753","0.0002","32.5101","0.0004","90","","90","","90","","2317.16","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C96 H140 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0262","0.0241","","","0.0615","0.0626","","","","","","1.039","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158940","9.8981","0.0003","9.9008","0.0003","10.6735","0.0003","100.946","0.003","96.419","0.002","118.36","0.003","878.66","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O7 S2 -","- C17 H18 O7 S2 -","- C34 H36 O14 S4 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0424","0.0346","","","0.0868","0.0904","","","","","","1.045","","","","has coordinates","278643","2022-10-20","00:39:52",""
"7158941","8.5479","0.0003","20.0152","0.0006","18.621","0.0006","90","","92.164","0.003","90","","3183.56","0.18","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Cl2 O7 S3 -","- C33 H28 Cl2 O7 S3 -","- C132 H112 Cl8 O28 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.1271","0.0993","","","0.2066","0.217","","","","","","1.176","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158942","14.0549","0.0002","7.1214","0.0001","14.812","0.0002","90","","91.918","0.001","90","","1481.71","0.04","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O4 S -","- C19 H12 O4 S -","- C76 H48 O16 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0339","0.0312","","","0.0804","0.082","","","","","","1.078","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158943","15.6949","0.0006","12.8939","0.0004","17.0029","0.0007","90","","111.187","0.004","90","","3208.3","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 O9 S3 -","- C35 H32 O9 S3 -","- C140 H128 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.1159","0.0852","","","0.2219","0.2396","","","","","","1.023","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158944","15.586","0.0003","12.8979","0.0002","16.9919","0.0003","90","","112.673","0.002","90","","3151.85","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 O9 S3 -","- C35 H32 O9 S3 -","- C140 H128 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0972","0.0897","","","0.2108","0.2145","","","","","","1.154","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158945","15.3737","0.001","12.3601","0.0004","16.9313","0.0011","90","","114.66","0.008","90","","2923.9","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 O9 S3 -","- C33 H28 O9 S3 -","- C132 H112 O36 S12 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0743","0.0518","","","0.1184","0.1252","","","","","","1.058","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158946","8.3583","0.0003","10.9812","0.0003","17.0446","0.0005","93.598","0.002","95.572","0.002","90.367","0.003","1553.84","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O8 S3 -","- C35 H32 O8 S3 -","- C70 H64 O16 S6 -","2","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","Tandem cyclocondensation of 1,3-bis-sulfonylpropan-2-ones with arylaldehydes. One-pot synthesis of tris-sulfonyl 3-arylphenols","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01703B","","x-ray","0.71073","MoKα","","0.0569","0.0474","","","0.1076","0.1113","","","","","","1.068","","","","has coordinates","278643","2022-10-20","00:39:53",""
"7158947","10.21076","0.00011","11.6131","0.00012","11.52057","0.00012","90","","101.561","0.001","90","","1338.38","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O5 S -","- C29 H32 N2 O5 S -","- C58 H64 N4 O10 S2 -","2","1","","Kumar, Dharmendra; Chaudhary, Dhananjay; Km, Ishu; Yadav, Suman; Maurya, Naveen Kumar; Kant, Ruchir; Kuram, Malleswara Rao","Copper-catalyzed cascade reaction of tryptamines with diazo compounds to access hexahydropyrroloindoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01635D","","","1.54184","CuKα","","0.0613","0.0549","","","0.1261","0.1292","","","","","","1.093","","","","has coordinates","278644","2022-10-20","00:40:49",""
"7158948","9.7261","0.0009","26.408","0.003","8.5437","0.0007","90","","91.509","0.003","90","","2193.7","0.4","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","1","","Maniarasu, Meenakshi; Kannupal, Srinivasan","SnCl4-Mediated One-Pot Synthesis of 2,4,5-Trisubstituted Thiazoles from Nitro-Substituted Donor-Acceptor Cyclopropanes and Thioamides","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01604D","","","0.71073","MoKα","","0.1295","0.0924","","","0.1849","0.2053","","","","","","1.152","","","","has coordinates","278720","2022-10-22","00:16:09",""
"7158949","24.354","0.003","8.7486","0.0014","16.091","0.002","90","","90","","90","","3428.4","0.8","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","2","","Prince, Prince; Kumar, Sandeep; Lalji, Ram Sunil Kumar; Gupta, Mohit; Kumar, Prashant; Kumar, Ravindra; Singh, Brajendra Kumar","Sustainable C-H Activation Approach for Palladium-Catalyzed, Regioselective, Functionalization of 1-Methyl-3-phenyl quinoxaline-2(1H)-ones in Water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01451C","","","0.71073","MoKα","","0.211","0.078","","","0.1474","0.199","","","","","","0.882","","","","has coordinates","278724","2022-10-23","00:34:20",""
"7158950","9.1723","0.0004","10.9238","0.0005","12.8796","0.0006","65.036","0.001","78.334","0.001","71.536","0.001","1106.17","0.09","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N4 O -","- C28 H22 N4 O -","- C56 H44 N8 O2 -","2","1","","Bhattacharjee, Suvam; Laru, Sudip; Hajra, Alakananda","Hypervalent Iodine(III)-Mediated Oxidative Dearomatization of 2H-Indazoles towards Indazolyl Indazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01776H","","","0.71073","MoKα","","0.0461","0.0391","","","0.0946","0.1022","","","","","","1.066","","","","has coordinates","278764","2022-10-25","01:11:00",""
"7158951","9.3059","0.0008","11.2684","0.001","11.5922","0.001","71.398","0.003","86.047","0.003","86.349","0.003","1148.22","0.17","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O4 S -","- C28 H21 N O4 S -","- C56 H42 N2 O8 S2 -","2","1","","Kar, Abhishek; Rana, Gopal; Chanda, Rupsa; Jana, Umasish","Iron(iii)-catalyzed synthesis of indole–xanthydrol hybrid through oxidative cycloisomerization/hydroxylation reaction","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01727J","","","0.71073","MoKα","","0.1193","0.0791","","","0.1402","0.1549","","","","","","1.171","","","","has coordinates","278765","2022-10-25","01:11:28",""
"7158952","10.8279","0.0005","6.5765","0.0003","25.3023","0.0011","90","","101.421","0.001","90","","1766.09","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,6,7-trimethoxy-2-phenylspiro [indene-1,2'- [1,3] dithiolane","","- C20 H20 O3 S2 -","- C20 H20 O3 S2 -","- C80 H80 O12 S8 -","4","1","","Arora, Shivani; Singh, Surya Pratap; Sharma, Parashuram; Singh, Anand","Brønsted Acid Catalyzed Annulations of Ketene Dithioacetals: Synthesis of 3-Aryl Coumarins and Indenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01558G","","","0.71073","MoKα","","0.0436","0.0369","","","0.0786","0.0822","","","","","","1.131","","","","has coordinates","278790","2022-10-26","00:54:24",""
"7158953","42.8149","0.0015","5.8284","0.0002","30.8813","0.0009","90","","118.624","0.002","90","","6764.4","0.4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C368 H288 N32 -","16","2","","Itakhunov, Radik N.; Odin, Ivan S.; Gusev, Dmitry M.; Grabovskiy, Stanislav A.; Gordon, Kareem V.; Vologzhanina, Anna V.; Sokov, Sergey A.; Sosnin, Ilya M.; Golovanov, Alexander A.","Cyclization of arylhydrazones of cross-conjugated enynones: synthesis of luminescent styryl-1H-pyrazoles and propenyl-1H-pyrazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01427K","","","0.71073","MoKα","","0.1777","0.0882","","","0.1546","0.1877","","","","","","1.013","","","","has coordinates","278830","2022-10-27","01:05:57",""
"7158954","10.1813","0.0004","17.3871","0.0007","8.5577","0.0004","90","","103.498","0.002","90","","1473.07","0.11","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O6 S2 -","- C34 H30 N2 O6 S2 -","- C68 H60 N4 O12 S4 -","2","0.5","","Sadhu, Milon Mohan; Khajuria, Chhavi; Singh, Vinod K.","A Brønsted acid-catalyzed thioacid addition to in situ generated aldimine for the synthesis of isoindolinones with N,S-acetal framework","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01532C","","","0.71073","MoKα","","0.0375","0.0338","","","0.0838","0.0864","","","","","","1.034","","","","has coordinates","278846","2022-10-28","00:46:29",""
"7158955","12.1241","0.0006","12.2852","0.0005","14.9183","0.0007","90","","98.87","0.002","90","","2195.46","0.17","160","","160","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Zhang, You-Ya; Li, Lin; Ma, Ai-Jun; Wang, Wei-Feng; Peng, Jin-Bao","Base-promoted [4+2] Annulation of Pyrrole-2-carbaldehyde Derivatives with β,γ-Unsaturated α-Ketoesters : Syntheses of 5,6-Dihydroindolizines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01903E","","","0.71073","MoKα","","0.1225","0.0572","","","0.1096","0.1397","","","","","","1.069","","","","has coordinates","278847","2022-10-28","00:47:10",""
"7158956","8.5012","0.0005","17.032","0.0007","18.9074","0.001","90","","90","","90","","2737.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O5 -","- C28 H31 N3 O5 -","- C112 H124 N12 O20 -","4","1","","Li, Min; Chen, Yihua; Yan, Yinkun; Liu, Min; Huang, Min; Li, Wenzhe; Cao, Lianyi; Zhang, Xiao-Mei","Organocatalytic asymmetric synthesis of quaternary α-isoxazole-α-alkynylamino acid derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01746F","","x-ray","1.54184","CuKα","","0.0658","0.0486","","","0.1219","0.1393","","","","","","1.015","","","","has coordinates,has disorder","278870","2022-10-29","10:56:12",""
"7158957","18.33","0.002","10.0441","0.0006","16.8467","0.0017","90","","116.711","0.013","90","","2770.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 I N3 O5 -","- C28 H30 I N3 O5 -","- C112 H120 I4 N12 O20 -","4","1","","Li, Min; Chen, Yihua; Yan, Yinkun; Liu, Min; Huang, Min; Li, Wenzhe; Cao, Lianyi; Zhang, Xiao-Mei","Organocatalytic asymmetric synthesis of quaternary α-isoxazole-α-alkynylamino acid derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01746F","","x-ray","0.71073","MoKα","","0.0686","0.0463","","","0.1124","0.1283","","","","","","1.036","","","","has coordinates","278870","2022-10-29","10:56:12",""
"7158958","7.8681","0.0004","11.4609","0.0005","18.4466","0.0009","90","","90","","90","","1663.43","0.14","303","2","303.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0351","0.0342","","","0.0915","0.0924","","","","","","1.033","","","","has coordinates","278871","2022-10-29","10:57:28",""
"7158959","6.573","0.0002","14.9361","0.0004","8.6462","0.0002","90","","91.596","0.001","90","","848.51","0.04","170","2","169.97","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C40 H48 O14 -","2","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.032","0.0295","","","0.0724","0.0744","","","","","","1.052","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158960","8.4147","0.0002","10.9726","0.0002","21.059","0.0004","90","","90","","90","","1944.4","0.07","170","2","169.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C80 H120 O36 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0322","0.0308","","","0.0781","0.0796","","","","","","1.064","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158961","11.691","0.004","9.567","0.004","12.612","0.005","90","","104.951","0.01","90","","1362.9","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H38 B F3 O3 Si -","- C23 H38 B F3 O3 Si -","- C46 H76 B2 F6 O6 Si2 -","2","0.5","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","0.71073","MoKα","","0.1495","0.0803","","","0.2282","0.2785","","","","","","1.029","","","","has coordinates,has disorder","278871","2022-10-29","10:57:29",""
"7158962","6.7694","0.0002","14.5049","0.0004","16.9906","0.0005","90","","90","","90","","1668.3","0.08","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0266","0.0258","","","0.0661","0.0665","","","","","","1.044","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158963","8.9073","0.0002","10.3176","0.0002","19.2439","0.0004","90","","98.151","0.001","90","","1750.69","0.06","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","2","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.54178","CuKα","","0.0376","0.037","","","0.1007","0.1015","","","","","","1.084","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158964","3.9218","0.0003","15.5165","0.0011","14.5798","0.0011","90","","95.477","0.007","90","","883.17","0.11","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 -","- C11 H7 N3 -","- C44 H28 N12 -","4","1","","Natarajan, Nithya; Jayabal, Ezhilan; Rengarajan, Venkatesan; Gnanasambandam, Vasuki","Multicomponent synthesis of pyrrolo[2,1-a]isoindolylidene-malononitrile (PIYM) fluorophores and their photophysical properties","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01209J","","","0.71073","MoKα","","0.0845","0.0744","","","0.2012","0.2065","","","","","","1.257","","","","has coordinates","278872","2022-10-29","10:58:10",""
"7158965","9.4115","0.0007","17.492","0.0018","13.8909","0.001","90","","94.077","0.007","90","","2281","0.3","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin","Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01747d","","x-ray","0.71073","MoKα","","0.1763","0.1315","","","0.2928","0.3166","","","","","","1.428","","","","has coordinates","278895","2022-11-01","11:09:02",""
"7158966","5.9384","0.0002","19.6239","0.0008","15.697","0.0007","90","","99.037","0.004","90","","1806.54","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 S2 -","- C18 H18 N2 O4 S2 -","- C72 H72 N8 O16 S8 -","4","1","","Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin","Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC.","Organic & biomolecular chemistry","2022","","","","","10.1039/d2ob01747d","","x-ray","1.54184","CuKα","","0.0971","0.0806","","","0.2106","0.2253","","","","","","1.092","","","","has coordinates","278895","2022-11-01","11:09:02",""
"7158967","9.9433","0.0001","17.2163","0.0001","18.8694","0.0001","90","","90","","90","","3230.19","0.04","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C38 H32 N4 O2 S2 -","- C38 H32 N4 O2 S2 -","- C152 H128 N16 O8 S8 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0328","0.0313","","","0.0847","0.0861","","","","","","1.043","","","","has coordinates","278922","2022-11-03","01:44:10",""
"7158968","13.5789","0.0002","7.1947","0.0001","18.2456","0.0003","90","","106.301","0.002","90","","1710.87","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O S -","- C20 H18 N2 O S -","- C80 H72 N8 O4 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0402","0.0369","","","0.1027","0.1058","","","","","","1.089","","","","has coordinates","278922","2022-11-03","01:44:15",""
"7158969","11.4056","0.0003","7.6851","0.0001","13.5446","0.0003","90","","112.632","0.003","90","","1095.81","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl3 N2 O S -","- C21 H21 Cl3 N2 O S -","- C42 H42 Cl6 N4 O2 S2 -","2","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0562","0.0537","","","0.1525","0.1561","","","","","","1.059","","","","has coordinates","278922","2022-11-03","01:44:18",""
"7158970","16.3292","0.001","9.8454","0.0006","18.1637","0.001","90","","109.633","0.006","90","","2750.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N2 O5 S -","- C31 H28 N2 O5 S -","- C124 H112 N8 O20 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0993","0.0635","","","0.1629","0.1857","","","","","","1.074","","","","has coordinates","278922","2022-11-03","01:44:23",""
"7158971","10.5733","0.0001","25.8833","0.0003","11.55","0.0001","90","","101.176","0.001","90","","3100.97","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl4 N2 S -","- C30.9997 H28.9991 Cl4 N2 S -","- C123.999 H115.996 Cl16 N8 S4 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0743","0.072","","","0.2094","0.2124","","","","","","1.025","","","","has coordinates,has disorder","278922","2022-11-03","01:44:26",""
"7158972","9.1525","0.0002","13.3382","0.0003","20.1751","0.0004","86.377","0.001","88.462","0.001","73.916","0.001","2361.68","0.09","170","2","169.98","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 F8 O8 -","- C50 H44 F8 O8 -","- C100 H88 F16 O16 -","2","1","","Li, Weichun; Qin, Peng; Zhao, Xing-Xing; Qu, Wen-Juan; Lin, Qi; Yao, Hong; Wei, Tai-Bao; Zhang, You-Ming; Liu, Yuezhou; Shi, Bingbing","Fluorinated leaning pillar[6]arene: synthesis, structure and selective iodide anion binding by anion−π interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01579J","","","1.34139","GaKα","","0.0521","0.0443","","","0.1119","0.1177","","","","","","1.026","","","","has coordinates","278937","2022-11-04","01:42:24",""
"7158973","8.2394","0.0004","10.079","0.0006","15.9028","0.0008","79.577","0.002","77.886","0.002","69.796","0.002","1203.3","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C64 H50 N2 O4 -","2","1","","Kumar, Y. Bharath Chaithanya; Samatha, Polasani; Mainkar, Prathama S.; Adepu, Raju","Rhodium Catalysed Intramolecular Benzannulation for the Formation of Tetracyclic Carbazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01662A","","","0.71073","MoKα","","0.1614","0.0597","","","0.1541","0.1979","","","","","","1.032","","","","has coordinates,has disorder","278938","2022-11-04","01:42:49",""
"7158974","6.2737","0.0004","18.0774","0.0006","16.6031","0.0008","90","","112.875","0.008","90","","1734.91","0.18","297.54","0.1","297.54","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 I N2 O2 S -","- C17 H17 I N2 O2 S -","- C68 H68 I4 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0458","0.0405","","","0.1171","0.1204","","","","","","1.074","","","","has coordinates","279132","2022-11-09","01:51:38",""
"7158975","8.4303","0.0004","10.1352","0.0005","11.2583","0.0004","80.979","0.004","71.424","0.004","89.642","0.004","899.57","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C38 H44 N4 O4 S2 -","2","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.066","0.0532","","","0.1496","0.162","","","","","","1.083","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158976","11.6333","0.0005","11.3408","0.0005","11.7715","0.0005","90","","101.261","0.0019","90","","1523.13","0.11","293","2","293.23","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0691","0.0464","","","0.1048","0.1128","","","","","","1.053","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158977","9.2441","0.0003","9.3416","0.0003","21.8748","0.0006","90","","93.805","0.003","90","","1884.83","0.1","296.33","0.1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0977","0.0535","","","0.1166","0.143","","","","","","1.036","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158978","37.1188","0.0012","7.4217","0.0002","11.9822","0.0005","90","","90","","90","","3300.9","0.2","270","40","270","40","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O2 S -","- C19 H18 N2 O2 S -","- C152 H144 N16 O16 S8 -","8","2","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","","0.71073","MoKα","","0.0789","0.0578","","","0.1324","0.1464","","","","","","0.974","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158979","10.3674","0.0004","7.8969","0.0003","19.6001","0.0008","90","","102.228","0.004","90","","1568.26","0.11","473","200","473","200","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Sunke, Rajnikanth; Ahmed Khan, Shabbir; Kumara Swamy, K. C.","Pd-catalysed intramolecular transformations of indolylbenzenesulfonamides: ortho-sulfonamido-bi(hetero)aryls via C2-arylation and polycyclic sultams via C3 arylation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01610A","","x-ray","0.71073","MoKα","","0.0673","0.0492","","","0.1263","0.1388","","","","","","1.123","","","","has coordinates","279132","2022-11-09","01:51:39",""
"7158980","4.9797","0.0003","6.2209","0.0003","11.7288","0.0006","76.575","0.004","80.995","0.005","77.331","0.004","342.66","0.03","293","2","293","","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","- C12 H13 F3 N2 O5 -","1","1","","Sharma, Nagendra K.; Gupta, Manish Kumar","New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01905A","","x-ray","0.71073","MoKα","","0.0562","0.0414","","","0.1025","0.1094","","","","","","1.0394","","","","has coordinates","279240","2022-11-12","01:49:20",""
"7158981","12.8343","0.0004","8.2701","0.0003","17.3938","0.0006","90","","108.53","0.004","90","","1750.48","0.11","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O5 -","- C18 H23 N3 O5 -","- C72 H92 N12 O20 -","4","1","","Sharma, Nagendra K.; Gupta, Manish Kumar","New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01905A","","x-ray","0.71073","MoKα","","0.0406","0.0367","","","0.0963","0.0984","","","","","","1.063","","","","has coordinates","279240","2022-11-12","01:49:21",""
"7158982","10.5131","0.0006","11.3065","0.0007","25.1627","0.0017","90","","96.162","0.006","90","","2973.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-1-((1S,2R,3S)-1-(4-(trifluoromethyl)benzyl)-2-(4-(trifluoromethyl)phenyl)-2,3-dihydro-1H-benzo[f]chromen-3-yl)naphthalen-2-ol","","- C38 H26 F6 O2 -","- C38 H26 F6 O2 -","- C152 H104 F24 O8 -","4","1","","Lyu, Jiyuan; Claraz, Aurelie; Retailleau, Pascal; Masson, Geraldine","Stereoselective (1+1+4+4) and (4+2) cyclodimerizations of styrylnaphthols under aerobic visible-light irradiation and Brønsted acid catalysis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01509A","","x-ray","0.71073","MoKα","","0.075","0.0561","","","0.1412","0.152","","","","","","1.045","","","","has coordinates,has disorder","279241","2022-11-12","01:49:44",""
"7158983","7.6764","0.0015","10.42","0.002","10.633","0.002","96.896","0.006","102.772","0.005","106.607","0.005","779.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.047","0.0419","","","0.1176","0.1235","","","","","","1.026","","","","has coordinates","279242","2022-11-12","01:51:00",""
"7158984","6.689","0.0013","11.222","0.002","13.775","0.003","109.827","0.007","97.404","0.007","104.97","0.007","912.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O2 -","- C24 H16 F2 N2 O2 -","- C48 H32 F4 N4 O4 -","2","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.082","0.0667","","","0.1897","0.2042","","","","","","1.074","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158985","23.3551","0.0019","6.4154","0.0005","14.5468","0.0012","90","","124.943","0.002","90","","1786.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H16 F2 N2 O -","- C24 H16 F2 N2 O -","- C96 H64 F8 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.048","0.0395","","","0.0935","0.0998","","","","","","1.022","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158986","4.4491","0.0002","19.9827","0.0011","19.1892","0.0011","90","","95.304","0.002","90","","1698.71","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0633","0.0435","","","0.1026","0.1168","","","","","","1.043","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158987","4.462","","19.539","","27.233","","90","","93.35","","90","","2370.2","","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F2 N2 -","- C14 H9 Br F2 N2 -","- C112 H72 Br8 F16 N16 -","8","2","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0841","0.0458","","","0.0789","0.0891","","","","","","1.018","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158988","8.2236","0.0004","13.2218","0.0007","14.5288","0.0007","90","","102.306","0.002","90","","1543.43","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0823","0.05","","","0.1093","0.1266","","","","","","1.018","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158989","11.034","0.002","14.502","0.003","11.291","0.002","90","","117.137","0.005","90","","1607.8","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0655","0.0476","","","0.1138","0.1281","","","","","","1.029","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158990","9.225","0.002","10.669","0.002","20.17","0.004","91.526","0.006","102.762","0.006","90.111","0.006","1935.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F2 N2 O2 -","- C24 H16 F2 N2 O2 -","- C96 H64 F8 N8 O8 -","4","2","","Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01320G","","","0.71073","MoKα","","0.0981","0.0474","","","0.1184","0.1445","","","","","","1.024","","","","has coordinates","279242","2022-11-12","01:51:01",""
"7158991","11.884","0.003","11.884","0.003","6.298","0.002","90","","90","","120","","770.3","0.4","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C30 H45 F3 O9 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0914","0.0542","","","0.0805","0.0896","","","","","","1.053","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158992","6.3601","0.0004","9.4921","0.0006","29.8749","0.0018","90","","90","","90","","1803.57","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F N2 O8 -","- C17 H17 F N2 O8 -","- C68 H68 F4 N8 O32 -","4","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.1134","0.0716","","","0.0921","0.101","","","","","","1.14","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158993","12.3659","0.0005","12.3659","0.0005","5.8839","0.0004","90","","90","","120","","779.2","0.07","150","","150","","","","","","","","","4","P 32","P 32","145","","","","- C9 H14 F2 O4 -","- C9 H14 F2 O4 -","- C27 H42 F6 O12 -","3","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0391","0.0319","","","0.068","0.0714","","","","","","1.042","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158994","7.6334","0.0003","5.7702","0.0002","11.1406","0.0005","90","","100.426","0.001","90","","482.6","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 F O3 -","- C10 H15 F O3 -","- C20 H30 F2 O6 -","2","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.0487","0.0394","","","0.0832","0.0871","","","","","","1.054","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158995","10.07","0.003","10.261","0.002","21.377","0.004","90","","90","","90","","2208.8","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 O6 -","- C25 H29 O6 -","- C100 H116 O24 -","4","1","","Sun, Yunpeng; Wang, Yongyue; Li, Yaqi; Wang, Siyuan; Zhang, Danyang; Kong, Lingyi; Luo, Jun","Sarcaglarone A, a lindenane–monoterpene heterodimer from the seeds of Sarcandra glabra","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01830F","","","1.54178","CuKα","","0.1322","0.0997","","","0.2359","0.2583","","","","","","0.981","","","","has coordinates,has disorder","279305","2022-11-16","01:41:16",""
"7158996","11.9638","0.0004","7.6176","0.0002","16.0976","0.0006","90","","111.574","0.001","90","","1364.28","0.08","169","2","169","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br2 F3 N2 O -","- C12 H11 Br2 F3 N2 O -","- C48 H44 Br8 F12 N8 O4 -","4","1","","Shi, Yuan; Wang, Kai; Ding, Yuxin; Xie, Yuanyuan","Transition-metal-free electrochemical oxidative C(sp2)–H trifluoromethylation of aryl aldehyde hydrazones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01734B","","","0.71073","MoKα","","0.0567","0.0494","","","0.1232","0.1276","","","","","","1.05","","","","has coordinates","279344","2022-11-17","01:53:09",""
"7158997","27.63","0.004","9.6103","0.0012","22.543","0.003","90","","123.585","0.004","90","","4986.7","1.2","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N2 O3 -","- C31 H24 N2 O3 -","- C248 H192 N16 O24 -","8","1","","Golla, Ramesh; Valmuri , Srivardhan; Balamurugan, Rengarajan","Ag(I)-Catalyzed Cyclization of o-Alkynylacetophenones Facilitated Through Acetal Formation: Synthesis of C3-Naphthyl Indole Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01873J","","","0.71073","MoKα","","0.0672","0.0553","","","0.1422","0.1521","","","","","","1.093","","","","has coordinates","279373","2022-11-18","01:46:45",""
"7158998","9.1848","0.0002","9.7094","0.0002","14.2815","0.0002","95.361","0.002","92.618","0.001","109.065","0.002","1194.55","0.04","299.5","","299.5","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 Br N -","- C32 H24 Br N -","- C64 H48 Br2 N2 -","2","1","","Golla, Ramesh; Valmuri , Srivardhan; Balamurugan, Rengarajan","Ag(I)-Catalyzed Cyclization of o-Alkynylacetophenones Facilitated Through Acetal Formation: Synthesis of C3-Naphthyl Indole Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01873J","","x-ray","0.71073","MoKα","","0.0536","0.0385","","","0.0778","0.0823","","","","","","1.0381","","","","has coordinates","279373","2022-11-18","01:46:55",""
"7158999","15.529","0.002","19.627","0.003","31.278","0.004","90","","90","","90","","9533","2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C364 H300 Cl12 F24 N32 Ni8 O32 -","4","1","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Savel'yeva, Tat'yana F.; Smol'yakov, Alexander F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","An asymmetric metal-templated route to amino acids with an isoquinolone core via a Rh(iii)-catalyzed coupling of aryl hydroxamates with chiral propargylglycine Ni(ii) complexes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01970A","","","0.71073","MoKα","","0.1194","0.0998","","","0.2545","0.2693","","","","","","1.019","","","","has coordinates","279374","2022-11-18","01:47:32",""
"7159000","8.0019","0.0003","10.5127","0.0004","17.2834","0.0006","90","","90","","90","","1453.91","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O6 -","- C14 H23 N O6 -","- C56 H92 N4 O24 -","4","1","","Klein, Marco T.; Krause, Bernhard M.; Neudörfl, Jörg-Martin; Kühne, Ronald; Schmalz, Hans-Günther","Design and synthesis of a tetracyclic tripeptide mimetic frozen in a polyproline type II (PP2) helix conformation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01857H","","","1.54178","CuKα","","0.0258","0.0256","","","0.0644","0.0646","","","","","","1.066","","","","has coordinates","279375","2022-11-18","01:48:00",""
"7159001","12.7003","0.0009","10.7468","0.0007","16.0028","0.0011","90","","105.88","0.002","90","","2100.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O4 S -","- C25 H20 N2 O4 S -","- C100 H80 N8 O16 S4 -","4","1","","Gorai, Ananta; Chakraborti, Gargi; Basak, Soumya Jyoti; Dash, Jyotirmayee","Diastereoselective Reversible C-C Bond Exchange of Oxindole-Thiazolidinediones for Dynamic Combinatorial Chemistry","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01993K","","","0.71073","MoKα","","0.0409","0.0351","","","0.0892","0.0958","","","","","","1.057","","","","has coordinates","279376","2022-11-18","01:48:34",""
"7159002","11.9951","0.0003","8.5493","0.0002","15.5588","0.0004","90","","109.035","0.001","90","","1508.3","0.07","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gorai, Ananta; Chakraborti, Gargi; Basak, Soumya Jyoti; Dash, Jyotirmayee","Diastereoselective Reversible C-C Bond Exchange of Oxindole-Thiazolidinediones for Dynamic Combinatorial Chemistry","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01993K","","","0.71073","MoKα","","0.0447","0.0372","","","0.0881","0.0947","","","","","","1.057","","","","has coordinates","279376","2022-11-18","01:48:34",""
"7159007","9.0019","0.0004","7.9707","0.0003","11.5272","0.0005","90","","106.536","0.004","90","","792.89","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O S -","- C8 H11 N O S -","- C32 H44 N4 O4 S4 -","4","1","","Yamamoto, Takuhei; Fukuta, Koki; Kariya, Yuki; Matsuura, Taiki; Hagiwara, Hiroaki; Uno, Bunji; Esaka, Yukihiro","Synthetic and computational investigation of neighboring group participation by a nucleophilic disulfide bond.","Organic & biomolecular chemistry","2022","21","1","65","68","10.1039/d2ob01574a","","x-ray","0.71073","MoKα","","0.042","0.0409","","","0.0964","0.0971","","","","","","1.032","","","","has coordinates,has disorder","281547","2023-03-04","18:37:33",""
"7159008","15.9497","0.0005","13.0829","0.0004","17.7686","0.0006","90","","94.929","0.003","90","","3694","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C168 H200 O16 -","4","1","","Chen, Genhui; Li, Hongjiao; Liang, Guojuan; Pu, Qian; Bai, Lijuan; Zhang, Dexin; Ye, Ying; Li, Yong; Zhou, Jing; Zhou, Hui","Facile construction of dibenzodioxo[3.3.1]nonanes bearing spirocyclohexadienones via domino [4 + 2] cycloaddition/C(sp3)–H oxidative dehydrogenation coupling reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01860H","","x-ray","1.54184","CuKα","","0.0723","0.0542","","","0.1405","0.1571","","","","","","1.03","","","","has coordinates","279413","2022-11-19","01:38:13",""
"7159009","6.1016","0.0006","10.4244","0.0009","10.539","0.0008","81.508","0.007","75.932","0.008","81.583","0.008","638.83","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H40 O2 -","- C28 H40 O2 -","- C28 H40 O2 -","1","0.5","","Chen, Genhui; Li, Hongjiao; Liang, Guojuan; Pu, Qian; Bai, Lijuan; Zhang, Dexin; Ye, Ying; Li, Yong; Zhou, Jing; Zhou, Hui","Facile construction of dibenzodioxo[3.3.1]nonanes bearing spirocyclohexadienones via domino [4 + 2] cycloaddition/C(sp3)–H oxidative dehydrogenation coupling reactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01860H","","x-ray","1.54184","CuKα","","0.0738","0.0527","","","0.1384","0.1576","","","","","","1.032","","","","has coordinates","279413","2022-11-19","01:38:14",""
"7159013","5.83","0.0005","16.7011","0.0012","8.443","0.0006","90","","90.811","0.005","90","","821.99","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","45.10F2","45.10F2","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Balo, Rosalino; Fernández, Alberto G.; Chopdat, Adam; Ayadi, Soufian El; Kato, Atsushi; Estévez, Ramón J.; Fleet, George W. J.; Estévez, Juan C.","Stable d-xylose ditriflate in divergent syntheses of dihydroxy prolines, pyrrolidines, tetrahydrofuran-2-carboxylic acids, and cyclic β-amino acids","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01255C","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0736","0.0801","","","","","","0.951","","","","has coordinates","279452","2022-11-22","01:38:16",""
"7159014","13.2559","0.0002","8.6008","0.0001","14.9878","0.0003","90","","104.098","0.002","90","","1657.31","0.05","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Paramonova, Polina; Lebedev, Rodion; Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","In situ generation of imines by the Staudinger/aza-Wittig tandem reaction combined with thermally induced Wolff rearrangement for one-pot three-component β-lactam synthesis","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01852G","","","1.54184","CuKα","","0.0396","0.0341","","","0.0873","0.0913","","","","","","1.032","","","","has coordinates","279485","2022-11-23","01:48:27",""
"7159015","8.0253","0.0004","10.2408","0.0005","20.0504","0.001","90","","90","","90","","1647.85","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0327","0.0326","","","0.0885","0.0886","","","","","","1.052","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159016","7.5187","0.0005","9.2274","0.0006","23.3001","0.0016","90","","90","","90","","1616.52","0.19","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0299","0.0298","","","0.0836","0.0839","","","","","","1.092","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159017","8.4578","0.0008","9.519","0.0009","19.2209","0.0018","90","","90","","90","","1547.5","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34138","GaKα","","0.0317","0.0316","","","0.0817","0.0818","","","","","","1.074","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159018","8.31","0.0017","10.917","0.002","17.12","0.004","90","","90","","90","","1553.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0353","0.0352","","","0.0947","0.0948","","","","","","1.079","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159019","6.6976","0.0004","10.7016","0.0006","11.0783","0.0006","90","","94.076","0.001","90","","792.03","0.08","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0311","0.031","","","0.0923","0.0925","","","","","","1.064","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159020","6.6669","0.0006","21.971","0.002","11.9519","0.0012","90","","103.559","0.004","90","","1701.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0542","0.0431","","","0.1152","0.1217","","","","","","1.04","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159021","9.4013","0.0005","26.2244","0.0016","12.2587","0.0007","90","","90.836","0.002","90","","3022","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N O11 -","- C27 H39 N O11 -","- C108 H156 N4 O44 -","4","2","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0549","0.049","","","0.1472","0.1512","","","","","","1.098","","","","has coordinates,has disorder","281548","2023-03-04","18:37:46",""
"7159022","8.1252","0.0009","6.7892","0.0008","20.442","0.002","90","","97.88","0.005","90","","1117","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","SCTK02","","- C15 H8 O5 -","- C15 H8 O5 -","- C60 H32 O20 -","4","1","","Achari, Anushree; Chatterjee, Sourav; Dey, Sudip; Kundu, Tapas K.; Jaisankar, Parasuraman","Catecholase-catalyzed synthesis of wedelolactone, a natural coumestan and its analogs.","Organic & biomolecular chemistry","2022","21","1","89","92","10.1039/d2ob02081e","","","0.71073","MoKα","","0.0466","0.0417","","","0.1127","0.1225","","","","","","1.0913","","","","has coordinates","281552","2023-03-04","18:38:12",""
"7159024","17.3131","0.0009","8.5318","0.0004","11.6113","0.0004","90","","94.377","0.004","90","","1710.13","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","1","","Gong, Xin; Yu, Na; Gu, Linghui; Li, Zheyu; Ma, Wenbo; Zhao, Fei","Redox-neutral rhodium(III)-catalyzed divergent synthesis of tetrasubstituted 1,3-enynes and alkynylated benzofurans.","Organic & biomolecular chemistry","2022","21","1","147","152","10.1039/d2ob01800d","","x-ray","1.54184","CuKα","","0.0996","0.0703","","","0.177","0.1931","","","","","","1.057","","","","has coordinates","281550","2023-03-04","18:37:58",""
"7159026","10.0208","0.0005","9.4096","0.0005","12.163","0.0007","90","","93.034","0.002","90","","1145.26","0.11","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B F N O3 -","- C23 H29 B F N O3 -","- C46 H58 B2 F2 N2 O6 -","2","1","","Li, Meng; Peng, Guang-Rui; Yang, Xuan; Ma, Zhen-Ning; Xie, Jian-Bo","Enantio- and diastereoselective boron conjugate addition to α-alkyl α,β-unsaturated esters.","Organic & biomolecular chemistry","2022","21","1","53","58","10.1039/d2ob01928k","","","1.34139","GaKα","","0.0609","0.0577","","","0.1624","0.1659","","","","","","1.039","","","","has coordinates,has disorder","281549","2023-03-04","18:37:52",""
"7159028","24.7343","0.0013","24.7343","0.0013","13.8021","0.0011","90","","90","","90","","8443.9","0.9","150","2","150","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C136 H218 N8 O81 S8 -","- C136 H218 N8 O81 S8 -","- C272 H436 N16 O162 S16 -","2","0.25","","Zhou, Jia-Liang; Li, Yan-Hong; Zhang, Ying-Ming; Chen, Ling; Liu, Yu","Enhanced molecular binding affinity toward aromatic dications by anthracene-derived crown ethers in water.","Organic & biomolecular chemistry","2022","21","1","107","114","10.1039/d2ob02010f","","","0.71073","MoKα","","0.2687","0.1676","","","0.4756","0.5819","","","","","","1.012","","","","has coordinates,has disorder","281551","2023-03-04","18:38:06",""
"7159040","7.9771","0.0003","14.2651","0.0006","15.4453","0.0007","90","","90","","90","","1757.58","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0315","0.0288","","","0.0727","0.0747","","","","","","1.103","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159041","16.4674","0.001","7.5481","0.0005","16.6864","0.001","90","","117.646","0.002","90","","1837.3","0.2","297","2","297.46","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br Cl O4 -","- C21 H15 Br Cl O4 -","- C84 H60 Br4 Cl4 O16 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.055","0.0462","","","0.1256","0.132","","","","","","1.061","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159042","52.655","0.004","7.5681","0.0004","19.8301","0.0012","90","","90","","90","","7902.3","0.9","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H18 O4 -","- C26 H18 O4 -","- C416 H288 O64 -","16","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0384","0.0339","","","0.0851","0.0873","","","","","","1.076","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159043","5.1663","0.0002","14.7442","0.0005","12.9318","0.0005","90","","98.432","0.004","90","","974.41","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 Br O4 -","- C21 H25 Br O4 -","- C42 H50 Br2 O8 -","2","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0679","0.0544","","","0.1328","0.1402","","","","","","1.041","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7159044","18.2137","0.0011","9.1058","0.0006","17.3141","0.001","90","","104.407","0.002","90","","2781.2","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O3 Ru -","- C36 H32 O3 Ru -","- C144 H128 O12 Ru4 -","4","1","","Shankar, Mallepalli; Kumara Swamy, K. C.","Ru(II)-catalysed oxidative (4 + 2) annulation of chromene and coumarin carboxylic acids with alkynes/propargylic alcohols: isolation of Ru(0) complexes.","Organic & biomolecular chemistry","2022","21","1","195","208","10.1039/d2ob01890j","","","0.71073","MoKα","","0.0231","0.0201","","","0.052","0.0543","","","","","","1.0828","","","","has coordinates","281553","2023-03-04","18:38:22",""
"7243734","7.0314","0.0003","10.5042","0.0004","10.5476","0.0004","61.155","0.001","87.596","0.002","71.433","0.001","640.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0178","0.0161","","","0.0375","0.0381","","","","","","1.062","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243735","7.1834","0.0008","7.7618","0.0008","10.873","0.0012","89.66","0.004","76.812","0.004","71.301","0.003","557.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0172","0.0144","","","0.028","0.0289","","","","","","1.099","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243736","20.419","0.001","10.2159","0.0006","12.8155","0.0007","90","","99.731","0.002","90","","2634.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N12 O Pb2 S4 -","- C18 H22 N12 O Pb2 S4 -","- C72 H88 N48 O4 Pb8 S16 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0248","0.0186","","","0.034","0.0353","","","","","","1.057","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243737","20.5481","0.0007","10.7642","0.0003","12.7256","0.0004","90","","97.74","0.001","90","","2789.05","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N12 O8 Pb2 S2 -","- C17 H26 N12 O8 Pb2 S2 -","- C68 H104 N48 O32 Pb8 S8 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0212","0.0173","","","0.0366","0.0376","","","","","","1.064","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243811","13.2618","0.0009","8.7178","0.0006","13.2822","0.0009","90","","109.205","0.002","90","","1450.14","0.17","110","","110","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N14 Ni2 -","- C16 H40 N14 Ni2 -","- C32 H80 N28 Ni4 -","2","0.25","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0673","0.0587","","","0.1399","0.1486","","","","","","1.115","","","","has coordinates,has disorder","272603","2022-02-04","19:18:06",""
"7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243815","9.5813","0.0006","9.5813","0.0006","7.5171","0.0005","90","","90","","90","","690.08","0.08","300","2","300","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H20 Br2 Cu N4 -","- C8 H20 Br2 Cu N4 -","- C16 H40 Br4 Cu2 N8 -","2","0.125","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","","0.71073","MoKα","","0.0468","0.0288","","","0.0327","0.035","","","","","","1.064","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243816","8.3568","0.0004","14.4655","0.0007","11.2207","0.0005","90","","92.8489","0.0012","90","","1354.74","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cu N10 -","- C8 H20 Cu N10 -","- C32 H80 Cu4 N40 -","4","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0268","0.022","","","0.0525","0.0547","","","","","","1.076","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243889","11.4556","0.0003","26.8887","0.0007","9.5696","0.0003","90","","91.164","0.002","90","","2947.08","0.14","103","5","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lumifantrine-Fumaric Acid 2:1 salt","2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid","","- C32 H34 Cl3 N O3 -","- C32 H34 Cl3 N O3 -","- C128 H136 Cl12 N4 O12 -","4","1","","Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.","The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine","CrystEngComm","2022","24","1","156","168","10.1039/D0CE01709D","","","0.71073","MoKα","","0.0692","0.0554","","","0.1315","0.1389","","","","","","1.023","","","","has coordinates,has disorder","272601","2022-02-04","19:17:40",""
"7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243891","9.0815","0.0018","19.394","0.004","14.389","0.003","90","","101.562","0.003","90","","2482.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C96 H104 Cd4 N16 O24 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.049","","","","has coordinates,has disorder","272599","2022-02-04","19:17:28",""
"7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57",""
"7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45",""
"7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20",""
"7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20",""
"7243930","16.8783","0.0005","14.9191","0.0003","16.6035","0.0005","90","","108.071","0.003","90","","3974.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sys-135-2","","- C44 H42 N6 O6 Zn -","- C44 H42 N6 O6 Zn -","- C176 H168 N24 O24 Zn4 -","4","1","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.1223","0.0709","","","0.11","0.1238","","","","","","1.06","","","","has coordinates","272605","2022-02-04","19:18:50",""
"7243931","10.8732","0.0006","15.9024","0.0009","17.0471","0.0007","105.773","0.004","103.099","0.004","91.265","0.004","2751.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","sys-109","","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","1","0.5","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.0543","0.0424","","","0.1056","0.1101","","","","","","1.117","","","","has coordinates,has disorder","272605","2022-02-04","19:18:50",""
"7243956","12.4079","0.0008","20.8937","0.0014","19.4442","0.0012","90","","90.801","0.002","90","","5040.4","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H112.5 N2.5 O41 Yb6 -","- C88 H104 N2 O38 Yb6 -","- C176 H208 N4 O76 Yb12 -","2","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0952","0.0599","","","0.1442","0.1657","","","","","","1.022","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243966","12.9504","0.0007","12.8021","0.0006","6.8288","0.0004","90","","94.149","0.005","90","","1129.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 O6 Tb -","- C13 H6 O6 Tb -","- C52 H24 O24 Tb4 -","4","1","","Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling","A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app","CrystEngComm","2022","24","1","132","142","10.1039/D1CE01256H","","","1.54178","CuKα","","0.0525","0.0456","","","0.1188","0.125","","","","","","1.064","","","","has coordinates","272600","2022-02-04","19:17:34",""
"7243970","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243971","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243972","25.0401","0.0008","13.9581","0.0004","14.3689","0.0004","90","","102.219","0.001","90","","4908.3","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Eu N3 O11 -","- C17 H23 Eu N3 O11 -","- C136 H184 Eu8 N24 O88 -","8","1","","Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui","Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water","CrystEngComm","2022","24","3","552","559","10.1039/D1CE01411K","","","0.71073","MoKα","","0.0678","0.0497","","","0.1093","0.1182","","","","","","1.078","","","","has coordinates","272633","2022-02-04","19:25:29",""
"7243973","8.4045","0.001","8.6975","0.0009","9.854","0.0013","64.455","0.003","86.316","0.004","74.126","0.004","623.92","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ca N2 O7 -","- C11 H10 Ca N2 O7 -","- C22 H20 Ca2 N4 O14 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0904","0.0637","","","0.168","0.1819","","","","","","1.093","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243974","17.7069","0.0008","10.4537","0.0008","9.3801","0.0006","90","","92.379","0.004","90","","1734.78","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Ca N4 O8 -","- C14 H16 Ca N4 O8 -","- C56 H64 Ca4 N16 O32 -","4","0.5","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0419","0.0367","","","0.094","0.0982","","","","","","1.064","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243975","10.628","0.002","13.31","0.003","13.741","0.003","79.741","0.006","73.155","0.006","71.586","0.005","1757.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ca2 N8 O17 -","- C28 H34 Ca2 N8 O17 -","- C56 H68 Ca4 N16 O34 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.1592","0.1062","","","0.2921","0.3345","","","","","","1.051","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243977","7.0098","0.0002","10.9304","0.0003","16.616","0.0005","92.618","0.001","99.659","0.001","102.704","0.001","1219.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C44 H40 Ca4 N8 O20 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0401","0.0325","","","0.0777","0.0821","","","","","","1.045","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243978","6.8835","0.0004","17.9272","0.0011","20.4957","0.0013","90","","90.043","0.003","90","","2529.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C88 H80 Ca8 N16 O40 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0788","0.055","","","0.1364","0.1487","","","","","","1.067","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243980","19.824","0.0007","13.4404","0.0005","13.6238","0.0005","90","","119.291","0.001","90","","3165.9","0.2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl In N O7 -","- C14 H13 Cl In N O7 -","- C112 H104 Cl8 In8 N8 O56 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0208","0.0205","","","0.0485","0.0487","","","","","","1.09","","","","has coordinates","272625","2022-02-04","19:23:44",""
"7243981","19.849","0.002","13.4206","0.0015","13.6014","0.0015","90","","119.38","0.002","90","","3157.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 In N2 O9 -","- C14 H11 In N2 O9 -","- C112 H88 In8 N16 O72 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0799","0.0709","","","0.1605","0.1648","","","","","","1.192","","","","has coordinates,has disorder","272625","2022-02-04","19:23:44",""
"7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243991","7.242","0.0003","10.069","0.0004","14.7992","0.0006","90","","100.379","0.002","90","","1061.5","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O2 -","- C9 H16 Cl N O2 -","- C36 H64 Cl4 N4 O8 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0302","0.027","","","0.0713","0.0735","","","","","","1.045","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18",""
"7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243996","19.7858","0.0008","9.397","0.0005","3.5684","0.0002","89.986","0.004","98.729","0.004","89.982","0.004","655.78","0.06","20","","20","","","","","","","","","4","C 1","C 1","1","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0537","0.0479","","","0.0622","0.0625","","","","3.96","3.96","3.73","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243998","12.5531","0.0004","13.0741","0.0004","14.6993","0.0005","68.163","0.003","65.87","0.003","64.215","0.003","1926.33","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","1","0.5","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","1.54178","CuKα","","0.0448","0.0374","","","0.0989","0.1062","","","","","","1.046","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243999","11.0416","0.0003","11.7979","0.0004","14.2305","0.0003","104.917","0.002","98.643","0.002","113.012","0.003","1581.79","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30.54 F3 N5 Ni O8.27 S -","- C31 H28 F3 N5 Ni O8.272 S -","- C62 H56 F6 N10 Ni2 O16.544 S2 -","2","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0706","0.0475","","","0.1103","0.1221","","","","","","1.03","","","","has coordinates,has disorder","272602","2022-02-04","19:17:49",""
"7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25",""
"7244015","19.889","0.004","21.178","0.004","34.375","0.007","90","","104.32","0.03","90","","14029","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H80.1 Cl1.2 Cu3 F36 N9 O12 -","- C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12 -","- C471.2 H301.2 Cl4.8 Cu12 F144 N36 O48 -","4","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","0.72083","synchrotron","","0.2092","0.1912","","","0.4998","0.5408","","","","","","1.177","","","","has coordinates,has disorder","272639","2022-02-04","19:27:25",""
"7244016","22.82","0.003","11.9888","0.0015","22.879","0.003","90","","111.912","0.004","90","","5807.2","1.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C128 H288 Br56 Mo24 N8 -","4","1","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.141","0.0643","","","0.1373","0.1684","","","","","","0.957","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244017","13.0071","0.001","11.6664","0.0009","19.0278","0.0014","90","","90.481","0.003","90","","2887.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.0792","0.0644","","","0.166","0.177","","","","","","1.027","","","","has coordinates","272627","2022-02-04","19:24:12",""
"7244018","13.1355","0.0004","11.7629","0.0003","18.9747","0.0006","90","","90.737","0.001","90","","2931.57","0.15","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.073","0.0416","","","0.0914","0.1031","","","","","","1.035","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49",""
"7244020","14.767","0.003","16.296","0.003","18.365","0.003","71.143","0.004","87.189","0.004","84.839","0.004","4164.3","1.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","1","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.1609","0.0798","","","0.1859","0.2351","","","","","","0.999","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244021","12.1279","0.0015","21.743","0.003","21.136","0.003","90","","102.364","0.002","90","","5444.2","1.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Co Mo24 N24 O82 Si2 -","- C52 H66 Co Mo24 N24 O82 Si2 -","- C104 H132 Co2 Mo48 N48 O164 Si4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0497","0.0345","","","0.0653","0.0705","","","","","","1.107","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244022","13.7397","0.0009","10.2909","0.0007","17.8945","0.0012","90","","105.235","0.001","90","","2441.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Co3 Mo6 N12 O32 Te -","- C26 H44 Co3 Mo6 N12 O32 Te -","- C52 H88 Co6 Mo12 N24 O64 Te2 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.046","0.0297","","","0.0604","0.0661","","","","","","1.015","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244024","12.2348","0.0007","13.557","0.0008","13.8907","0.0008","110.677","0.001","110.381","0.001","98.307","0.001","1924.4","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H34 Cr Cu Mo6 N7 O31 -","- C12 H34 Cr Cu Mo6 N7 O31 -","- C24 H68 Cr2 Cu2 Mo12 N14 O62 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.064","0.0381","","","0.0764","0.086","","","","","","1.009","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244025","19.0455","0.0016","14.5002","0.0012","23.178","0.002","90","","95.835","0.001","90","","6367.8","0.9","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Co2 N12 O45.5 P W11 -","- C26 H52 Co2 N12 O45.5 P W11 -","- C104 H208 Co8 N48 O182 P4 W44 -","4","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0478","0.0285","","","0.0556","0.062","","","","","","1.042","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244026","8.3059","0.0003","10.2707","0.0004","27.0831","0.001","90.502","0.001","95.784","0.001","112.687","0.001","2117.91","0.14","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C26 H74 Co4 Mo12 N12 Na2 O70 Te2 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0576","0.0386","","","0.0867","0.0945","","","","","","1.054","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244027","10.8269","0.0005","10.8269","0.0005","32.0261","0.0019","90","","90","","120","","3251.2","0.3","149.7","0.5","149.7","0.5","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.659 N24 Ru0.341 -","- C72 H144 B6 F24 Fe1.977 N72 Ru1.023 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0604","0.0475","","","0.1129","0.1222","","","","","","1.054","","","","has coordinates,has disorder","272786","2022-02-04","20:04:21",""
"7244028","10.7344","0.0004","10.7344","0.0004","32.0067","0.0016","90","","90","","120","","3193.9","0.2","80","0.6","80","0.6","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.66 N24 Ru0.34 -","- C24 H48 B2 F8 Fe0.661 N24 Ru0.339 -","- C72 H144 B6 F24 Fe1.983 N72 Ru1.017 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","0.71073","MoKα","","0.0361","0.0301","","","0.0614","0.064","","","","","","1.121","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244029","10.79309","0.00013","10.79309","0.00013","32.1264","0.0004","90","","90","","120","","3241.04","0.07","149","2","149","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0305","0.0305","","","0.0814","0.0814","","","","","","1.059","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244030","10.77425","0.00013","10.77425","0.00013","31.8415","0.0005","90","","90","","120","","3201.09","0.07","81","2","81","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C72 H144 B6 F24 N72 Ru3 -","3","0.166667","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.0244","0.0244","","","0.0589","0.0589","","","","","","1.084","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244031","11.7827","0.0003","10.88012","0.00019","16.3802","0.0003","90.9202","0.0014","99.0617","0.0017","89.4706","0.0017","2073.37","0.08","80","0.5","80","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 B2 F8 N24 Ru -","- C24 H48 B2 F8 N24 Ru -","- C48 H96 B4 F16 N48 Ru2 -","2","1","","Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel","Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material.","Physical chemistry chemical physics : PCCP","2022","24","2","982","994","10.1039/d1cp04321h","","x-ray","1.54184","CuKα","","0.082","0.0714","","","0.2117","0.2277","","","","","","1.091","","","","has coordinates,has disorder","272786","2022-02-04","20:04:22",""
"7244034","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244035","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244036","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","272611","2022-02-04","19:19:52",""
"7244038","7.3849","0.0001","8.0981","0.0002","11.1254","0.0002","72.216","0.002","84.21","0.002","74.767","0.002","611.13","0.02","299.78","0.1","299.78","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1121","0.1132","","","","","","1.034","","","","has coordinates","272638","2022-02-04","19:26:55",""
"7244039","11.6672","0.00018","7.4166","0.0001","15.6676","0.0003","90","","108.305","0.0017","90","","1287.13","0.04","300.43","0.1","300.43","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.046","0.0424","","","0.1222","0.1255","","","","","","1.069","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244040","12.4611","0.0003","6.86735","0.00012","15.5404","0.0003","90","","110.487","0.002","90","","1245.75","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C52 H36 Cl8 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0436","0.0402","","","0.1131","0.1167","","","","","","1.086","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244041","14.2255","0.0002","24.628","0.0003","8.1632","0.0001","90","","99.282","0.001","90","","2822.49","0.06","259.6","0.6","259.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl4 N3 O4 -","- C28 H25 Cl4 N3 O4 -","- C112 H100 Cl16 N12 O16 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0548","0.0492","","","0.1291","0.1335","","","","","","1.033","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244042","6.5565","0.0001","17.6948","0.0004","12.4912","0.0003","90","","102.335","0.0006","90","","1415.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 N7 O8 -","- C11.9994 H5 N6.9994 O7.9994 -","- C47.9976 H20 N27.9976 O31.9976 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1475","0.1623","","","","","","1.039","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244043","12.0783","0.0003","12.3615","0.0003","12.6822","0.0003","107.053","0.001","95.261","0.001","112.021","0.001","1634.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 N20 O22 -","- C24 H4 N20 O22 -","- C48 H8 N40 O44 -","2","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0981","0.0696","","","0.1803","0.204","","","","","","1.093","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244044","7.1886","0.0008","17.2834","0.0019","12.4782","0.0014","90","","94.337","0.003","90","","1545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N8 O10 -","- C12 H4 N8 O10 -","- C48 H16 N32 O40 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.1003","0.0802","","","0.2155","0.2348","","","","","","1.068","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244045","10.9525","0.0003","12.9657","0.0004","20.7069","0.0007","90","","103.542","0.003","90","","2858.77","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C144 H104 N24 -","8","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.0544","0.0439","","","0.1125","0.123","","","","","","1.043","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244046","8.5331","0.0006","9.1322","0.0006","11.9513","0.001","77.749","0.006","79.907","0.007","65.413","0.007","823.62","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N2 O2 -","- C19 H15 Br N2 O2 -","- C38 H30 Br2 N4 O4 -","2","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.0491","0.0372","","","0.0835","0.0907","","","","","","1.041","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244047","7.5372","0.0007","7.833","0.0005","13.1572","0.0011","81.704","0.006","86.697","0.007","83.076","0.006","762.41","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C38 H30 N6 O2 -","2","1","","Gong, Ming; Huang, Mengmeng; Li, Yabo; Zhang, Jianye; Kim, Jung Keun; Kim, Jong Seung; Wu, Yangjie","Harnessing visible-light energy for unbiased organic photoelectrocatalysis: synthesis of N-bearing fused rings","Green Chemistry","2022","24","2","837","845","10.1039/D1GC03587H","","x-ray","1.54184","CuKα","","0.066","0.0466","","","0.1078","0.122","","","","","","1.061","","","","has coordinates","272704","2022-02-04","19:51:00",""
"7244048","17.7291","0.0006","7.5614","0.0002","8.1518","0.0002","90","","102.867","0.003","90","","1065.36","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hu, Deqing; Jiang, Xuefeng","Stepwise benzylic oxygenation via uranyl-photocatalysis","Green Chemistry","2022","24","1","124","129","10.1039/D1GC04042A","","x-ray","1.54184","CuKα","","0.0559","0.0499","","","0.1432","0.1488","","","","","","1.075","","","","has coordinates","272702","2022-02-04","19:50:48",""
"7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12",""
"7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18",""
"7244057","8.523","0.002","21.073","0.004","9.087","0.002","90","","96.54","0.03","90","","1621.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sebaconitrile solvate","Sulfathiazole, 1,10-decanedinitrile (2:1) solvate","","- C28 H34 N8 O4 S4 -","- C28 H34 N8 O4 S4 -","- C56 H68 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1026","0.0495","","","0.1015","0.1188","","","","","","0.988","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244058","8.783","0.001","14.728","0.004","23.8","0.005","90","","98.46","0.01","90","","3045.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclooctanone solvate","Sulfathiazole, cyclooctanone (2:1) solvate","","- C26 H32 N6 O5 S4 -","- C26 H32 N6 O5 S4 -","- C104 H128 N24 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1367","0.0691","","","0.166","0.1863","","","","","","0.918","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244059","8.636","0.002","19.187","0.004","9.354","0.002","90","","91.03","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, gamma-butyrolactone","Sulfathiazole, 4-butyrolactone (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0978","0.0554","","","0.1593","0.1754","","","","","","1.118","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244060","8.416","0.002","17.394","0.003","10.342","0.002","90","","104.7","0.03","90","","1464.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, diethyloxalate solvate","Sulfathiazole, oxalic acid diethyl ester (2:1) solvate","","- C24 H28 N6 O8 S4 -","- C24 H28 N6 O8 S4 -","- C48 H56 N12 O16 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1295","0.0605","","","0.1154","0.1296","","","","","","0.791","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244061","8.154","0.002","17.399","0.003","10.077","0.002","90","","101.32","0.03","90","","1401.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, adiponitrile solvate","Sulfathiazole, 1,6-hexanenitrile (2:1) solvate","","- C24 H26 N8 O4 S4 -","- C24 H26 N8 O4 S4 -","- C48 H52 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0415","0.0331","","","0.0821","0.0864","","","","","","1.057","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244062","11.448","0.002","14.224","0.003","15.323","0.003","90","","111.6","0.03","90","","2319.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, caprolactam solvate","Sulfathiazole, hexahydro-2H-azepin-2-one (1:2) solvate","","- C21 H31 N5 O4 S2 -","- C21 H31 N5 O4 S2 -","- C84 H124 N20 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0789","0.0552","","","0.1373","0.152","","","","","","1.029","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244063","8.01","0.002","20.82","0.004","8.99","0.002","90","","94.65","0.03","90","","1494.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, suberonitrile solvate","Sulfathiazole, 1,8-octanedinitrile (2:1) solvate","","- C26 H30 N8 O4 S4 -","- C26 H30 N8 O4 S4 -","- C52 H60 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71069","MoKα","","0.0531","0.0391","","","0.0859","0.093","","","","","","1.072","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244064","6.487","0.003","12.332","0.004","22.259","0.003","90","","94.19","0.03","90","","1775.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclohexanone solvate","Sulfathiazole, cyclohexanone (1:1) solvate","","- C15 H19 N3 O3 S2 -","- C15 H19 N3 O3 S2 -","- C60 H76 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1671","0.0832","","","0.2083","0.2309","","","","","","0.818","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244065","8.2478","0.0002","21.0191","0.0006","9.0739","0.0003","90","","96.534","0.001","90","","1562.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, butyronitrile solvate","Sulfathiazole, butyronitrile (1:1) solvate","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0892","0.0537","","","0.1274","0.1486","","","","","","1.041","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244066","8.051","0.002","11.492","0.002","15.552","0.003","77.45","0.03","88.64","0.02","88.64","0.02","1403.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole, dimethylethyleneurea solvate","Sulfathiazole, 1,3 dimethyl-2-imidazolidone (2:1) solvate","","- C23 H28 N8 O5 S4 -","- C23 H28 N8 O5 S4 -","- C46 H56 N16 O10 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1053","0.0498","","","0.0898","0.1069","","","","","","0.949","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244067","8.606","0.002","21.643","0.004","8.735","0.002","90","","98.76","0.03","90","","1608","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, beta-butyrolactone solvate","Sulfathiazole, 4-methyloxetan-2-one (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0886","0.0534","","","0.1217","0.1381","","","","","","1.029","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244068","6.036","0.001","21.02","0.004","12.791","0.003","90","","94.44","0.03","90","","1618","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sulfalone solvate","Sulfathiazole, tetramethylene sulfone (1:1) solvate","","- C13 H17 N3 O4 S3 -","- C13 H17 N3 O4 S3 -","- C52 H68 N12 O16 S12 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1133","0.0678","","","0.1452","0.1551","","","","","","0.814","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244069","6.613","0.003","12.074","0.003","22.085","0.003","90","","93.44","0.001","90","","1760.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cycloheptanone solvate","Sulfathiazole, cycloheptanone (1:1) solvate","","- C16 H21 N3 O3 S2 -","- C16 H21 N3 O3 S2 -","- C64 H84 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1215","0.1159","","","0.2809","0.2878","","","","","","1.124","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244070","8.363","0.0017","21.146","0.004","9.116","0.0018","90","","95.76","0.03","90","","1604","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, azelanitrile solvate","Sulfathiazole, 1,9-nonanedinitrile (2:1) solvate","","- C27 H32 N8 O4 S4 -","- C27 H32 N8 O4 S4 -","- C54 H64 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1437","0.1259","","","0.2951","0.3033","","","","","","1.216","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244071","8.3551","0.0009","18.88","0.003","10.7764","0.0017","90","","96.79","0.009","90","","1688","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, morpholine-4-carbonitrile solvate","Sulfathiazole, morpholine-4-carbonitrile (1:1) solvate","","- C14 H17 N5 O3 S2 -","- C14 H17 N5 O3 S2 -","- C56 H68 N20 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1879","0.0611","","","0.1112","0.1436","","","","","","0.933","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244072","16.533","0.003","9.996","0.001","19.81","0.002","90","","112.26","0.02","90","","3029.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, N,N'-Dimethylpropylene urea solvate","Sulfathiazole, 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2:1) solvate","","- C24 H30 N8 O5 S4 -","- C24 H30 N8 O5 S4 -","- C96 H120 N32 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0758","0.0493","","","0.1416","0.1536","","","","","","1.097","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244073","8.4758","0.0003","20.7179","0.0009","9.6108","0.0005","90","","97.84","0.002","90","","1671.89","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, valeronitrile solvate","Sulfathiazole, pentanenitrile (1:1) solvate","","- C14 H18 N4 O2 S2 -","- C14 H18 N4 O2 S2 -","- C56 H72 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.097","0.0509","","","0.1074","0.125","","","","","","0.978","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244074","8.194","0.002","21.111","0.004","9.57","0.002","90","","94.2","0.03","90","","1651","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, alpha-angelica lactone solvate","Sulfathiazole, 5-Methyl-2(3H)-furanone (1:1) solvate","","- C14 H15 N3 O4 S2 -","- C14 H15 N3 O4 S2 -","- C56 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1212","0.0473","","","0.0909","0.1035","","","","","","0.698","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244075","8.417","0.002","20.975","0.004","9.472","0.002","90","","93.83","0.03","90","","1668.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, gamma-valerolactone solvate","Sulfathiazole, (+/-) 5-methyldihydrofuran-2-one (1:1) solvate","","- C14 H17 N3 O4 S2 -","- C14 H17 N3 O4 S2 -","- C56 H68 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1115","0.0494","","","0.1123","0.1265","","","","","","0.968","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244076","8.6785","0.0002","19.911","0.0006","10.0217","0.0003","90","","97.776","0.001","90","","1715.8","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, dodecanedinitrile solvate","Sulfathiazole, 1,12-dodecanedinitrile (2:1) solvate","","- C30 H38 N8 O4 S4 -","- C30 H38 N8 O4 S4 -","- C60 H76 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0575","0.0397","","","0.0956","0.1035","","","","","","1.023","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244078","12.071","0.003","12.071","0.003","12.118","0.002","90","","90","","120","","1529.1","0.6","296","2","296.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- B9 Cd3 H3 K Na5 O38 P6 -","- B9 Cd3 H3 K Na5 O38 P6 -","- B18 Cd6 H6 K2 Na10 O76 P12 -","2","0.166667","","Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui","Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate","CrystEngComm","2022","24","3","479","483","10.1039/D1CE01449H","","","0.71073","MoKα","","0.095","0.0919","","","0.2092","0.2105","","","","","","1.071","","","","has coordinates","272634","2022-02-04","19:25:35",""
"7244085","13.921","0.003","16.888","0.003","7.6224","0.0015","90","","120","0.03","90","","1551.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","0.5","","Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun","Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism","CrystEngComm","2022","24","4","854","862","10.1039/D1CE01285A","","","0.71073","MoKα","","0.0872","0.0541","","","0.1322","0.1473","","","","","","1.022","","","","has coordinates","272617","2022-02-04","19:20:37",""
"7244086","4.0639","0.0001","23.333","0.001","10.0221","0.0004","90","","93.341","0.003","90","","948.71","0.06","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-(4-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.08","0.0835","","","","","","1.0409","","","","has coordinates","271547","2021-12-20","23:35:38",""
"7244087","19.4398","0.0005","19.4398","0.0005","5.0577","0.0001","90","","90","","90","","1911.33","0.08","200","2","200","2","","","","","","","","5","I -4","I -4","82","","1-(4-fluorophenyl)-3-iodoprop-2-yn-1-one","","- C9 H4 F I O -","- C9 H4 F I O -","- C72 H32 F8 I8 O8 -","8","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0398","0.039","","","0.1007","0.1014","","","","","","1.028","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244088","10.0763","0.0002","11.2448","0.0002","7.2619","0.0002","90","","91.013","0.001","90","","822.69","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-phenylprop-2-yn-1-one","","- C9 H5 I O -","- C9 H5 I O -","- C36 H20 I4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0279","0.0265","","","0.0687","0.0697","","","","","","1.061","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244089","5.6138","0.0003","7.8625","0.0004","11.1133","0.0005","104.33","0.002","96.117","0.002","94.399","0.003","469.84","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3-(3-iodopropioloyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C20 H8 I2 N2 O2 -","2","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0402","0.0392","","","0.1038","0.1053","","","","","","1.041","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244090","6.8676","0.0009","11.0423","0.001","13.0715","0.0011","82.581","0.007","74.932","0.009","77.837","0.009","932.79","0.17","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","3-iodo-1-(3-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","2","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0614","0.0539","","","0.1161","0.1193","","","","","","1.152","","","","has coordinates,has disorder","271547","2021-12-20","23:35:40",""
"7244091","4.06532","0.00016","24.0246","0.0011","9.7176","0.0004","90","","96.002","0.004","90","","943.89","0.07","100.02","0.19","100.02","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-iodoprop-2-ynoyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C40 H16 I4 N4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","1.54184","CuKα","","0.0434","0.0429","","","0.1262","0.1271","","","","","","1.105","","","","has coordinates","271547","2021-12-20","23:35:40",""
"7244095","12.638","0.003","13.524","0.003","21.208","0.004","84.09","0.03","84.24","0.03","64.85","0.03","3257.3","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","1","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7927","synchrotron","","0.1267","0.1101","","","0.2865","0.3052","","","","","","1.022","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15",""
"7244100","10.4325","0.0002","11.403","0.0003","18.4984","0.0004","107.755","0.002","96.663","0.002","92.537","0.002","2074.24","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N3 O3 S3 -","- C18 H16 F3 N3 O3 S3 -","- C72 H64 F12 N12 O12 S12 -","4","2","","Dubey, Gurudutt; Mahawar, Nutan; Singh, Tejender; Saha, Nirjhar; Sahoo, Subash C.; Bharatam, Prasad V.","Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N<sup>+</sup> center.","Physical chemistry chemical physics : PCCP","2022","24","2","629","633","10.1039/d1cp04732a","","","0.71073","MoKα","","0.0832","0.0516","","","0.112","0.1287","","","","","","1.06","","","","has coordinates,has disorder","272785","2022-02-04","20:04:11",""
"7244101","7.6003","0.0005","9.7756","0.0007","9.7883","0.0007","96.092","0.002","103.963","0.002","111.34","0.003","642.06","0.08","297","2","297","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C26 H28 N4 O4 S2 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.0679","0.0447","","","0.0947","0.1073","","","","","","1.03","","","","has coordinates","272787","2022-02-04","20:04:35",""
"7244102","9.1303","0.0005","9.5438","0.0005","18.2326","0.0009","86.92","0.002","78.265","0.002","66.827","0.002","1429.43","0.13","297","2","297","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O2 S -","- C15 H15 N2 O2 S -","- C60 H60 N8 O8 S4 -","4","2","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.0699","0.0545","","","0.1699","0.1935","","","","","","0.733","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244103","9.1477","0.0009","10.3739","0.0008","25.486","0.003","89.281","0.005","79.975","0.006","67.01","0.005","2188.4","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","1.54178","CuKα","","0.2545","0.0931","","","0.2102","0.2999","","","","","","0.938","","","","has coordinates,has disorder","272787","2022-02-04","20:04:37",""
"7244104","13.5492","0.001","7.4023","0.0005","21.4841","0.0016","90","","100.382","0.002","90","","2119.5","0.3","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N4 O5 -","- C25 H20 N4 O5 -","- C100 H80 N16 O20 -","4","0.5","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","0.71073","MoKα","","0.1008","0.0733","","","0.1461","0.1582","","","","","","1.124","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244105","7.7678","0.0002","5.8296","0.0001","42.625","0.0009","90","","91.468","0.002","90","","1929.56","0.07","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O2 -","- C25 H18 N4 O2 -","- C100 H72 N16 O8 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo","Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties.","Physical chemistry chemical physics : PCCP","2022","24","2","1191","1201","10.1039/d1cp04438a","","","1.54178","CuKα","","0.1052","0.0585","","","0.141","0.1713","","","","","","1.011","","","","has coordinates","272787","2022-02-04","20:04:37",""
"7244107","10.1902","0.0003","10.2138","0.0003","28.5888","0.0008","88.437","0.002","86.185","0.002","69.035","0.002","2772.38","0.14","193","2","192.99","","","","","","","","","5","P 1","P 1","1","","","","- C34 H24 B N S3 -","- C34 H24 B N S3 -","- C136 H96 B4 N4 S12 -","4","4","","Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang","Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions.","Physical chemistry chemical physics : PCCP","2022","24","4","2227","2233","10.1039/d1cp04671c","","","1.34139","GaKα","","0.0724","0.0571","","","0.1376","0.1525","","","","","","1.026","","","","has coordinates","272784","2022-02-04","20:04:05",""
"7244112","11.3034","0.0006","12.7188","0.0006","21.9772","0.0012","82.236","0.002","76.045","0.002","75.545","0.002","2959.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Co","","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.072","0.0526","","","0.141","0.1565","","","","","","1.022","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244113","11.3213","0.0006","12.545","0.0007","21.9866","0.0013","82.573","0.002","76.173","0.002","75.347","0.002","2925.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Ni","","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.065","0.0477","","","0.1317","0.1446","","","","","","1.031","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04",""
"7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244118","8.7652","0.0019","10.148","0.002","12.958","0.003","73.895","0.003","77.424","0.003","75.347","0.004","1057.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C44 H40 Cd2 N8 O10 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0306","0.0252","","","0.0667","0.0862","","","","","","1.187","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244119","9.907","0.005","10.86","0.005","11.41","0.006","114.119","0.006","107.767","0.007","97.924","0.007","1017.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C44 H36 Cd2 N8 O8 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.04","0.033","","","0.0976","0.1094","","","","","","1.077","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244120","7.9711","0.0004","38.293","0.002","13.9006","0.0007","90","","96.469","0.001","90","","4216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N8 O10 Zn2 -","- C44 H40 N8 O10 Zn2 -","- C176 H160 N32 O40 Zn8 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0648","0.0423","","","0.0894","0.1008","","","","","","1.125","","","","has coordinates","271657","2022-01-01","00:11:12",""
"7244121","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","271769","2022-01-03","23:25:37",""
"7244122","9.1586","0.0002","10.0083","0.0003","12.7498","0.0004","90","","94.467","0.002","90","","1165.12","0.06","295.7","0.5","295.7","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Fe N2 O10 P2 -","- C5 H10 Fe N2 O10 P2 -","- C20 H40 Fe4 N8 O40 P8 -","4","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0661","0.0625","","","0.1566","0.162","","","","","","1.08","","","","has coordinates","271769","2022-01-03","23:25:38",""
"7244123","11.26","0.005","11.656","0.005","12.787","0.005","79.302","0.005","84.606","0.005","68.048","0.005","1529","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","1","0.5","","Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang","POM-based metal organic frameworks with a woven fabric structure for lithium storage","CrystEngComm","2022","24","6","1279","1284","10.1039/D1CE01538A","","","0.71069","MoKα","","0.1479","0.0824","","","0.2423","0.2982","","","","","","1.048","","","","has coordinates","273356","2022-03-04","22:09:02",""
"7244124","14.1506","0.0013","14.5033","0.0014","22.5841","0.0017","90","","90.46","0.003","90","","4634.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H102 Cd2 Cl8 N34 O34 -","- C58 H80 Cd2 Cl8 N34 O24 -","- C116 H160 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0797","0.0703","","","0.206","0.2127","","","","","","1.007","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244125","14.075","0.005","14.636","0.004","22.677","0.007","90","","90.564","0.012","90","","4671","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H105 Cd2 Cl8 N34 O34 -","- C60 H76 Cd2 Cl8 N34 O24 -","- C120 H152 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0996","0.0697","","","0.2175","0.2364","","","","","","1.003","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244126","17.535","0.006","17.696","0.007","18.62","0.007","69.886","0.011","78.459","0.012","66.732","0.011","4970","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cd Cl4 N33 O28 S -","- C53 H60 Cd Cl4 N33 O20 S -","- C106 H120 Cd2 Cl8 N66 O40 S2 -","2","1","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.1668","0.1141","","","0.2978","0.3415","","","","","","1.011","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244127","10.9002","0.0005","11.5504","0.0005","14.7377","0.0007","89.771","0.001","86.393","0.001","81.188","0.001","1829.94","0.14","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","1","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0898","0.0748","","","0.163","0.17","","","","","","1.165","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244128","16.046","0.0011","20.6074","0.0014","18.8644","0.0013","90","","96.972","0.002","90","","6191.7","0.7","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C96 H120 Cu8 Mo48 N48 O188 Si4 -","4","1","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1127","0.0621","","","0.1495","0.1791","","","","","","1.012","","","","has coordinates","272619","2022-02-04","19:21:06",""
"7244129","15.8588","0.0014","21.3036","0.0014","10.4152","0.0008","90","","98.134","0.002","90","","3483.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H41 Co2 N12 O49.5 Si W12 -","- C28 H41 Co2 N12 O49.5 Si W12 -","- C56 H82 Co4 N24 O99 Si2 W24 -","2","0.25","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0493","0.0348","","","0.0778","0.0854","","","","","","1.043","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244130","10.1453","0.0007","17.138","0.0011","19.2588","0.0012","90","","96.218","0.002","90","","3328.8","0.4","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu2 N12 O52 Si W12 -","- C28 H48 Cu2 N12 O52 Si W12 -","- C56 H96 Cu4 N24 O104 Si2 W24 -","2","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1286","0.0689","","","0.1058","0.1225","","","","","","1.075","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244131","14.0968","0.0004","10.5774","0.0003","15.0772","0.0005","90","","109.13","","90","","2123.98","0.11","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C40 H72 Mo12 N16 Ni4 O60 Te2 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0219","0.0197","","","0.049","0.0499","","","","","","1.104","","","","has coordinates","271803","2022-01-04","23:43:57",""
"7244132","14.0938","0.0009","10.6509","0.0009","15.1734","0.0011","90","","109.21","0.001","90","","2150.9","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C40 H72 Mo12 N16 O60 Te2 Zn4 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0233","0.019","","","0.0469","0.0488","","","","","","1.043","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244133","12.5062","0.0005","16.3162","0.0007","12.9106","0.0006","90","","94.116","0.001","90","","2627.7","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co Mo8 N8 O28 -","- C20 H30 Co Mo8 N8 O28 -","- C40 H60 Co2 Mo16 N16 O56 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.047","0.0323","","","0.0788","0.084","","","","","","1.038","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244134","7.388","0.0005","10.9847","0.0007","12.672","0.0009","84.161","0.001","80.99","0.001","73.956","0.001","974.29","0.11","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu Mo4 N4 O13 -","- C10 H12 Cu Mo4 N4 O13 -","- C20 H24 Cu2 Mo8 N8 O26 -","2","1","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0651","0.0356","","","0.0668","0.0765","","","","","","0.981","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244135","12.4291","0.0009","12.762","0.001","25.4693","0.0019","78.479","0.002","89.827","0.002","76.701","0.002","3848.5","0.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","1","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.1058","0.0608","","","0.1411","0.1591","","","","","","1.052","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244137","12.47","0.003","10.334","0.002","13.219","0.003","90","","111.93","0.03","90","","1580.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O9 Y -","- C10 H16 N3 O9 Y -","- C40 H64 N12 O36 Y4 -","4","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.0621","0.057","","","0.1544","0.1583","","","","","","1.089","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244138","7.19","0.0014","7.578","0.0015","9.979","0.002","71.83","0.03","83.47","0.03","84.8","0.03","512.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O7 Y -","- C9 H6 O7 Y -","- C18 H12 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0731","0.0611","","","0.1613","0.1699","","","","","","1.14","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244139","7.635","0.0015","10.112","0.002","11.216","0.002","115.76","0.03","105.96","0.03","95.18","0.03","727.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O7 Y -","- C12 H13 N O7 Y -","- C24 H26 N2 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.057","0.0558","","","0.1578","0.1591","","","","","","1.185","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244140","9.621","0.0019","9.918","0.002","11.149","0.002","77.87","0.03","80.29","0.03","79.96","0.03","1014.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O10 Y -","- C15 H20 N2 O10 Y -","- C30 H40 N4 O20 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0789","0.0718","","","0.2031","0.2113","","","","","","1.168","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244141","8.52","0.0017","10.069","0.002","16.751","0.003","81.28","0.03","79.95","0.03","79.63","0.03","1381.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N2 O18.5 Y2 -","- C18 H20 N2 O18.5 Y2 -","- C36 H40 N4 O37 Y4 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.75","synchrotron","","0.0789","0.0699","","","0.2312","0.2438","","","","","","1.115","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244142","9.573","0.0019","14.857","0.003","19.601","0.004","99.49","0.03","95.46","0.03","101.53","0.03","2670.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 N6 O26 Y4 -","- C34 H50 N6 O26 Y4 -","- C68 H100 N12 O52 Y8 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.1413","0.1002","","","0.3066","0.3316","","","","","","1.173","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244144","8.0862","0.0015","8.1863","0.0013","8.4893","0.0011","72.651","0.013","81.681","0.013","65.767","0.017","488.97","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0614","0.0488","","","0.1187","0.1273","","","","","","1.045","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244149","7.4213","0.0003","19.3205","0.0006","10.8081","0.0004","90","","96.871","0.003","90","","1538.57","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O12 Zn2 -","- C10 H13 N O12 Zn2 -","- C40 H52 N4 O48 Zn8 -","4","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0391","0.0323","","","0.0774","0.0808","","","","","","1.081","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244151","7.2467","0.0006","8.5509","0.0007","10.9978","0.0006","101.892","0.006","95.728","0.005","114.776","0.008","592.04","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cd N O8 -","- C10 H11 Cd N O8 -","- C20 H22 Cd2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0636","0.0668","","","","","","1.069","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244152","7.7777","0.0002","8.9715","0.0004","11.4851","0.0004","67.353","0.004","75.848","0.003","70.505","0.003","690.98","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0216","0.0199","","","0.0489","0.0496","","","","","","1.026","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244153","11.9314","0.0004","26.0057","0.001","10.2556","0.0003","90","","101.605","0.003","90","","3117.1","0.19","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0267","0.0232","","","0.0522","0.0535","","","","","","1","","","","has coordinates","271925","2022-01-06","23:38:14",""
"7244154","11.9641","0.0005","26.0973","0.001","10.2505","0.0004","90","","101.699","0.004","90","","3134","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0323","0.0276","","","0.0648","0.0663","","","","","","1.014","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244155","11.9564","0.0004","26.0615","0.001","10.2663","0.0004","90","","101.52","0.004","90","","3134.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.033","0.0284","","","0.0685","0.0705","","","","","","1.001","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244156","12.0314","0.0004","26.2812","0.001","10.1334","0.0004","90","","102.376","0.003","90","","3129.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.03","0.0251","","","0.0576","0.0592","","","","","","1.051","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244157","11.9956","0.0005","26.2113","0.0009","10.1788","0.0003","90","","102.258","0.004","90","","3127.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0297","0.0258","","","0.0621","0.0634","","","","","","1.059","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244158","12.0065","0.0006","26.2353","0.0011","10.1974","0.0003","90","","102.144","0.004","90","","3140.2","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0384","0.0322","","","0.0777","0.0806","","","","","","1.05","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244159","12.017","0.0005","26.3115","0.0011","10.1716","0.0004","90","","102.509","0.004","90","","3139.8","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0375","0.0313","","","0.0763","0.0792","","","","","","1.032","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244160","4.8673","0.0012","11.348","0.003","27.751","0.006","90","","90","","90","","1532.8","0.6","174","2","174.29","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.0392","0.0317","","","0.0641","0.0665","","","","","","1.06","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244161","5.3437","0.0005","14.4207","0.0016","16.6141","0.0016","90","","90","","90","","1280.3","0.2","100","2","99.83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.045","0.0424","","","0.0905","0.0923","","","","","","1.07","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244162","21.701","0.0007","6.1737","0.0002","20.5621","0.0007","90","","120.251","0.001","90","","2379.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","0.71073","MoKα","","0.062","0.0421","","","0.1018","0.1108","","","","","","1.031","","","","has coordinates","272611","2022-02-04","19:19:53",""
"7244163","13.0612","0.0005","5.4197","0.0002","13.8643","0.0006","90","","102.611","0.002","90","","957.75","0.07","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","2","","Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai","The bending behavior of an L-phenylalanine monohydrate soft crystal <i>via</i> reversible hydrogen bond rupture and remodeling.","Physical chemistry chemical physics : PCCP","2022","24","5","3216","3221","10.1039/d1cp05449j","","","1.34139","GaKα","","0.0385","0.0318","","","0.0784","0.0825","","","","","","1.047","","","","has coordinates","272782","2022-02-04","20:03:50",""
"7244164","6.1471","0.0003","17.7972","0.0009","20.5612","0.001","76.086","0.004","81.665","0.004","86.606","0.004","2159.66","0.19","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1065","0.0546","","","0.1201","0.1389","","","","","","0.998","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244165","10.1318","0.0005","10.1318","0.0005","39.042","0.004","90","","90","","90","","4007.8","0.5","293","2","293.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C208 H176 N16 O8 -","8","1","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1054","0.0564","","","0.0913","0.1058","","","","","","0.996","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244166","9.1427","0.0009","10.2655","0.001","11.2401","0.0011","76.016","0.008","84.388","0.008","76.867","0.009","995.87","0.18","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C52 H44 N4 -","2","1","","Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang","Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene.","Physical chemistry chemical physics : PCCP","2022","24","4","1960","1964","10.1039/d1cp05303e","","x-ray","0.71073","MoKα","","0.1747","0.0611","","","0.1032","0.146","","","","","","1.003","","","","has coordinates","272783","2022-02-04","20:03:59",""
"7244167","11.853","0.002","14.016","0.002","16.932","0.003","105.883","0.003","99.311","0.003","92.164","0.003","2659.9","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.079","0.0587","","","0.1579","0.1754","","","","","","1.018","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244168","11.8092","0.0012","14.143","0.0015","17.0587","0.0019","106.843","0.0017","100","0.0016","91.8117","0.0016","2675.3","0.5","296","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H52 Mn2 Mo12 N8 Na4 O70 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0681","0.0483","","","0.1311","0.1451","","","","","","1.025","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244169","11.856","0.001","14.0079","0.0012","16.8886","0.0014","105.922","0.0013","99.3799","0.0014","92.0586","0.0015","2651.5","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","","0.71073","MoKα","","0.0659","0.0466","","","0.1248","0.1385","","","","","","1.022","","","","has coordinates","272608","2022-02-04","19:19:16",""
"7244170","12.079","0.002","13.62","0.002","17.023","0.003","75.738","0.003","80.286","0.003","89.388","0.003","2673.9","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0944","0.0601","","","0.1444","0.1727","","","","","","1.038","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244171","12.5169","0.0015","12.5282","0.0016","15.952","0.003","99.623","0.003","98.647","0.003","112.828","0.002","2208.5","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H88 As2 Cd4 Cl2 N12 O76 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","1","0.5","","Hua, Jiai; Wei, Xueman; Ma, Xiang; Jiao, Jinzhe; Chai, Binghui; Wu, Chenbin; Zhang, Changli; Niu, Yulan","A {Cd4Cl2O14} cluster functionalized sandwich-type tungsto-arsenate as conformation modulator for misfolding Aβ peptide","CrystEngComm","2022","","","","","10.1039/D1CE01637G","","","0.71073","MoKα","","0.095","0.0799","","","0.1771","0.1896","","","","","","1.016","","","","has coordinates","271976","2022-01-10","23:29:12",""
"7244172","10.086","0.002","30.644","0.006","17.347","0.004","90","","90.27","0.03","90","","5361.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 N12 O14 Zn3 -","- C42 H30 N12 O14.06 Zn3 -","- C168 H120 N48 O56.24 Zn12 -","4","0.5","","Liu, Han-Fu; Tao, Ye; Qin, Xiao-Huan; Chen, Chao; Huang, Fu-Ping; Zhang, Xiu-Qing; Bian, He-Dong","Three-fold Interpenetrated Metal–Organic Framework as a Multifunctional Fluorescent Probe for Detecting 2,4,6-Trinitrophenol, Levofloxacin, and L-Cystine","CrystEngComm","2022","","","","","10.1039/D1CE01590G","","","0.71073","MoKα","","0.074","0.055","","","0.1207","0.1279","","","","","","1.031","","","","has coordinates,has disorder","271977","2022-01-10","23:29:40",""
"7244173","22.3971","0.0006","13.9013","0.0001","17.865","0.0005","90","","114.487","0.001","90","","5062","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N5 O36 Pr3 -","- C35 H15 N5 O36 Pr3 -","- C140 H60 N20 O144 Pr12 -","4","0.5","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.1139","0.0784","","","0.1559","0.1779","","","","","","1.162","","","","has coordinates","271978","2022-01-10","23:30:26",""
"7244174","25.451","0.003","14.4966","0.0014","7.1113","0.0007","90","","95.795","0.006","90","","2610.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-acetyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile","","- C13 H9 N3 O3 S -","- C13 H9 N3 O3 S -","- C104 H72 N24 O24 S8 -","8","2","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.0977","0.0584","","","0.1342","0.1582","","","","","","1.099","","","","has coordinates","271978","2022-01-10","23:30:27",""
"7244175","14.4786","0.0006","11.6381","0.0006","34.8047","0.0016","90","","90.017","0.003","90","","5864.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1868","0.1302","","","0.3871","0.4345","","","","","","1.482","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244176","7.6581","0.0003","7.3941","0.0003","13.4241","0.0006","90","","98.09","0.002","90","","752.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-3,6-difluorobenzonitrile","","- C7 H2 Cl F2 N2 -","- C7 H3 Cl F2 N2 -","- C28 H12 Cl4 F8 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0517","0.0396","","","0.107","0.1217","","","","","","1.059","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244177","9.7777","0.0019","7.7816","0.0015","10.246","0.0016","90","","99.955","0.008","90","","767.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile","","- C7 H2 Cl F3 N2 -","- C7 H2 Cl F3 N2 -","- C28 H8 Cl4 F12 N8 -","4","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1221","0.0962","","","0.2726","0.282","","","","","","1.016","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244178","7.5702","0.0005","5.8303","0.0003","15.8912","0.0011","90","","96.846","0.003","90","","696.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,6-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C28 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0709","0.0455","","","0.1199","0.141","","","","","","1.026","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244179","14.459","0.0006","11.6131","0.0006","34.7535","0.0015","90","","90.333","0.003","90","","5835.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1175","0.0882","","","0.2544","0.2939","","","","","","0.954","","","","has coordinates,has disorder","272610","2022-02-04","19:19:43",""
"7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244181","9.276","0.0004","9.884","0.0005","10.2679","0.0005","111.106","0.002","98.506","0.002","116.108","0.002","734","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,6-difluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0439","0.037","","","0.1032","0.1108","","","","","","1.035","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244182","9.4276","0.0006","9.9092","0.0006","10.3213","0.0007","111.749","0.002","97.219","0.003","116.798","0.002","747.91","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.042","0.0355","","","0.0925","0.0988","","","","","","1.031","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244183","7.0616","0.0004","12.96","0.0006","10.6639","0.0004","90","","94.752","0.004","90","","972.59","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C32 H44 N8 O16 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0607","0.0422","","","0.1065","0.1195","","","","","","1.029","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244184","7.6501","0.0002","11.8612","0.0004","10.4802","0.0003","90","","98.09","0.003","90","","941.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O8 S2 -","- C14 H20 N2 O8 S2 -","- C28 H40 N4 O16 S4 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","1.5418","CuKα","","0.0499","0.0407","","","0.1073","0.1157","","","","","","1.05","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244185","9.547","0.0008","10.2921","0.0009","11.4084","0.0011","70.436","0.009","66.208","0.009","86.296","0.007","963.26","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","1","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.1456","0.0636","","","0.1528","0.1948","","","","","","0.985","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244186","5.9712","0.0003","7.004","0.0003","20.4618","0.0009","90","","98.336","0.004","90","","846.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O6 -","- C14 H22 N4 O6 -","- C28 H44 N8 O12 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0441","0.0366","","","0.0945","0.1001","","","","","","1.049","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244187","8.5687","0.0006","15.4864","0.0011","9.023","0.0008","90","","94.159","0.007","90","","1194.18","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B6 N2 O11 -","- C3 H14 B6 N2 O11 -","- C12 H56 B24 N8 O44 -","4","1","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.047","0.0362","","","0.0957","0.1018","","","","","","1.043","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244188","8.7306","0.0005","8.7306","0.0005","12.5809","0.0008","90","","90","","120","","830.48","0.09","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","1","0.166667","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.0341","0.0339","","","0.0973","0.0975","","","","","","1.086","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244189","14.3707","0.0004","14.3707","0.0004","36.5666","0.0013","90","","90","","90","","7551.6","0.4","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C24 H56 Br18 N8 Pb5 -","- C24 H56 Br18 N8 Pb5 -","- C96 H224 Br72 N32 Pb20 -","4","0.125","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0734","0.0636","","","0.2312","0.24","","","","","","1.064","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244191","6.7305","0.0009","8.917","0.0012","11.7682","0.0015","82.956","0.011","78.846","0.011","88.804","0.011","687.7","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C32 H24 F2 N2 O6 -","2","1","","Mehreen, Saba; Ullah, Aman; Nadeem, Humaira; Dege, Necmi; Naseer, Muhammad Moazzam","Synthesis, solid state self-assembly driven by antiparallel π⋯π stacking and {⋯H–C–C–F}2 dimer synthons, and in vitro acetyl cholinesterase inhibition activity of phenoxy pendant isatins","RSC Advances","2022","12","3","1788","1796","10.1039/D1RA08286H","","","0.71073","MoKα","","0.0553","0.0399","","","0.0977","0.1043","","","","","","0.999","","","","has coordinates","272018","2022-01-13","01:59:11",""
"7244192","12.0845","0.0013","13.1004","0.0016","18.589","0.002","85.241","0.007","73.425","0.006","77.684","0.006","2754.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H134 N6 O20 -","- C112 H134 N6 O20 -","- C112 H134 N6 O20 -","1","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes","RSC Advances","2022","12","3","1797","1806","10.1039/D1RA09043G","","","1.54178","CuKα","","0.2235","0.1423","","","0.3504","0.3949","","","","","","1.067","","","","has coordinates","272019","2022-01-13","01:59:40",""
"7244193","10.7868","0.0012","15.821","0.002","16.455","0.002","93.587","0.007","92.917","0.007","90.911","0.006","2798.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H148 N8 O22 -","- C118 H148 N8 O22 -","- C118 H148 N8 O22 -","1","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes","RSC Advances","2022","12","3","1797","1806","10.1039/D1RA09043G","","","1.54178","CuKα","","0.1555","0.1177","","","0.2613","0.2797","","","","","","1.256","","","","has coordinates","272019","2022-01-13","01:59:40",""
"7244194","8.575","0.0002","9.082","0.0004","12.93","0.0004","76.03","0.002","83.16","0.002","69.5","0.002","914.64","0.06","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cl4 N4 Pd2 -","- C10 H24 Cl4 N4 Pd2 -","- C20 H48 Cl8 N8 Pd4 -","2","1","","Ragab, Mona S.; Shehata, Mohamed R.; Shoukry, Mohamed M.; Haukka, Matti; Ragheb, Mohamed A.","Oxidative DNA cleavage mediated by a new unexpected [Pd(BAPP)][PdCl4] complex (BAPP = 1,4-bis(3-aminopropyl)piperazine): crystal structure, DNA binding and cytotoxic behavior","RSC Advances","2022","12","3","1871","1884","10.1039/D1RA07793G","","","0.7107","MoKα","","0.0624","0.0358","","","0.0675","0.0762","","","","","","1.03","","","","has coordinates","272020","2022-01-13","02:00:02",""
"7244195","11.32","0.003","12.339","0.003","15.403","0.004","90","","109.964","0.014","90","","2022.2","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N7 O4 -","- C20 H25 N7 O4 -","- C80 H100 N28 O16 -","4","1","","Ganai, Ab Majeed; Pathan, Tabasum Khan; Sayyad, Nisar; Kushwaha, Babita; Kushwaha, Narva Deshwar; Tzakos, Andreas G.; Karpoormath, Rajshekhar","DBU mediated one-pot synthesis of triazolo triazines via Dimroth type rearrangement","RSC Advances","2022","12","4","2102","2106","10.1039/D1RA07749J","","","0.71073","MoKα","","0.0507","0.0384","","","0.0979","0.1064","","","","","","1.031","","","","has coordinates","272021","2022-01-13","02:00:24",""
"7244196","8.2567","0.0005","19.7843","0.0011","8.8668","0.0005","90","","90","","90","","1448.42","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","SS1-246RF1","1-allyl-3-bromo-2-phenyl-1H-indole","","- C17 H14 Br N -","- C17 H14 Br N -","- C68 H56 Br4 N4 -","4","1","","Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles","RSC Advances","2022","12","3","1834","1839","10.1039/D1RA08588C","","","0.71073","MoKα","","0.0587","0.0372","","","0.0825","0.0907","","","","","","1.022","","","","has coordinates","272022","2022-01-13","02:01:00",""
"7244197","10.519","0.003","9.117","0.002","20.975","0.006","90","","90.312","0.007","90","","2011.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SS1-280R","N-allyl-5-bromo-N-phenyl-2-(p-tolylamino)benzamide","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles","RSC Advances","2022","12","3","1834","1839","10.1039/D1RA08588C","","","0.71073","MoKα","","0.1305","0.0526","","","0.089","0.111","","","","","","1.006","","","","has coordinates","272022","2022-01-13","02:01:00",""
"7244198","7.6333","0.0013","8.2742","0.0014","13.236","0.002","90.191","0.002","93.865","0.002","109.561","0.002","785.6","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Br N2 O8 Re2 -","- C8 H17 Br N2 O8 Re2 -","- C16 H34 Br2 N4 O16 Re4 -","2","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0257","0.0235","","","0.0577","0.0588","","","","","","1.068","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244199","8.8362","0.0005","12.7362","0.0005","13.7512","0.0005","91.289","0.002","94.366","0.002","96.252","0.002","1533.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Cl N2 O8 Re2 -","- C8 H17 Cl N2 O8 Re2 -","- C32 H68 Cl4 N8 O32 Re8 -","4","2","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0702","0.0593","","","0.1601","0.1649","","","","","","1.133","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244202","4.9136","0.0004","14.4136","0.0011","17.9643","0.0014","92.224","0.002","93.232","0.002","92.069","0.002","1268.36","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H25 N5 -","- C10 H25 N5 -","- C40 H100 N20 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0645","0.0534","","","0.1319","0.137","","","","","","1.124","","","","has coordinates,has disorder","273355","2022-03-04","22:08:52",""
"7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244204","5.1713","0.0004","27.181","0.002","18.8959","0.0014","90","","93.137","0.002","90","","2652","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O6 S3 -","- C25 H31 N3 O6 S3 -","- C100 H124 N12 O24 S12 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0535","0.0394","","","0.0941","0.101","","","","","","1.04","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244206","7.9184","0.0006","6.7907","0.0005","14.7266","0.0011","90","","100.133","0.002","90","","779.52","0.1","150.15","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 Fe N5 -","- C10 H25 Cl2 Fe N5 -","- C20 H50 Cl4 Fe2 N10 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0231","0.0203","","","0.0515","0.0529","","","","","","1.061","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244207","14.6083","0.0011","14.3727","0.0011","16.8252","0.0012","90","","103.155","0.003","90","","3439.9","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl6 Co3 N10 -","- C20 H50 Cl6 Co3 N10 -","- C80 H200 Cl24 Co12 N40 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0357","0.0281","","","0.0664","0.0696","","","","","","1.034","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244210","9.0957","0.0008","9.2333","0.0009","22.464","0.002","97.589","0.003","93.469","0.002","96.344","0.002","1853.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H25 Cl2 Cr F6 N5 P -","- C10 H25 Cl2 Cr F6 N5 P -","- C40 H100 Cl8 Cr4 F24 N20 P4 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0611","0.0453","","","0.1058","0.1122","","","","","","1.05","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244211","7.7456","0.0007","10.3834","0.0009","11.001","0.001","75.896","0.002","88.525","0.002","85.227","0.002","855.1","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H21 Cl F6 N5 P Ru -","- C10 H21 Cl F6 N5 P Ru -","- C20 H42 Cl2 F12 N10 P2 Ru2 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0258","0.0235","","","0.0604","0.0618","","","","","","1.029","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244212","5.7301","0.0005","18.629","0.0015","16.8629","0.0016","90","","91.518","0.002","90","","1799.4","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O10 S4 -","- C34 H40 N2 O10 S4 -","- C68 H80 N4 O20 S8 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0539","0.0351","","","0.085","0.0925","","","","","","1.023","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244213","18.619","0.002","9.6164","0.0008","11.7011","0.001","90","","110.806","0.004","90","","1958.4","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Cl2 F6 N5 P -","- C10 H28 Cl2 F6 N5 P -","- C40 H112 Cl8 F24 N20 P4 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0264","0.0245","","","0.0652","0.0664","","","","","","1.079","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53",""
"7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54",""
"7244220","13.2557","0.001","5.3985","0.0004","23.3604","0.0018","90","","103.761","0.001","90","","1623.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0242","0.0195","","","0.0417","0.0433","","","","","","1.0356","","","","has coordinates","273357","2022-03-04","22:09:20",""
"7244221","6.82","0.0004","8.6628","0.0005","33.6106","0.0019","90","","92.684","0.002","90","","1983.5","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenylditelluride 1,4-diiodo-tetrafluorobenzene","","- C18 H10 F4 I2 Te2 -","- C18 H10 F4 I2 Te2 -","- C72 H40 F16 I8 Te8 -","4","0.5","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0479","0.045","","","0.0872","0.0879","","","","","","1.384","","","","has coordinates","273357","2022-03-04","22:09:30",""
"7244222","10.6796","0.0004","14.9649","0.0001","20.9874","0.0004","90","","90","","90","","3354.19","0.14","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl6 N Ni P2 -","- C30 H33 Cl6 N Ni P2 -","- C120 H132 Cl24 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0232","0.022","","","0.0525","0.0531","","","","","","1.033","","","","has coordinates","272048","2022-01-15","01:47:22",""
"7244223","9.8001","0.0002","13.6022","0.0003","20.547","0.0004","90","","90","","90","","2738.98","0.1","160","2","160","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C28 H29 Br2 N Ni P2 -","- C28 H29 Br2 N Ni P2 -","- C112 H116 Br8 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0272","0.0239","","","0.0457","0.0467","","","","","","0.998","","","","has coordinates","272048","2022-01-15","01:47:22",""
"7244224","15.4142","0.0003","10.0508","0.0002","18.3727","0.0003","90","","92.727","0.001","90","","2843.17","0.09","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 I2 N Ni P2 -","- C28 H29 I2 N Ni P2 -","- C112 H116 I8 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0165","0.0156","","","0.039","0.0394","","","","","","1.121","","","","has coordinates","272048","2022-01-15","01:47:23",""
"7244225","8.892","0.004","24.276","0.011","11.365","0.005","90","","109.798","0.007","90","","2308.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","1","0.25","","Zeng, Na-Na; Ren, Li; Cui, Guang-Hua","Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer","CrystEngComm","2022","24","5","931","935","10.1039/D1CE01537K","","","0.71073","MoKα","","0.1611","0.0663","","","0.1522","0.1959","","","","","","0.983","","","","has coordinates,has disorder","272615","2022-02-04","19:20:22",""
"7244226","8.1236","0.0001","14.0468","0.0002","16.9496","0.0003","90","","90","","90","","1934.13","0.05","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0362","0.0345","","","0.0967","0.098","","","","","","1.107","","","","has coordinates","272111","2022-01-18","23:32:59",""
"7244227","23.301","0.0002","11.3788","0.0001","8.8743","0.0001","90","","90","","90","","2352.91","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0417","0.0397","","","0.1074","0.109","","","","","","1.086","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244228","8.1294","0.0002","14.0393","0.0003","16.9502","0.0003","90","","90","","90","","1934.54","0.07","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.072","0.0728","","","","","","1.115","","","","has coordinates","272111","2022-01-18","23:33:00",""
"7244229","23.3004","0.0002","11.3861","0.0001","8.8768","0.0001","90","","90","","90","","2355.02","0.04","178","","178","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0377","","","0.1034","0.1052","","","","","","1.062","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244230","23.3149","0.0005","11.3966","0.0003","8.87109","0.00018","90","","90","","90","","2357.14","0.09","203","","203","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H8 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0959","0.0928","","","0.2594","0.2658","","","","","","1.16","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244231","23.3051","0.0002","11.4337","0.0001","8.8909","0.0001","90","","90","","90","","2369.1","0.04","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.1174","0.1192","","","","","","1.072","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244232","8.16082","0.00019","14.265","0.0003","17.0946","0.0004","90","","90","","90","","1990.05","0.08","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1648","0.1694","","","","","","1.1","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244233","23.6012","0.0004","11.3363","0.0002","8.94002","0.00015","90","","90","","90","","2391.9","0.07","223","","223","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0934","0.0953","","","","","","1.082","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244234","23.3","0.0002","11.4013","0.0001","8.881","0.0001","90","","90","","90","","2359.24","0.04","188","","188","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.056","0.0542","","","0.1556","0.1577","","","","","","1.101","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244235","23.715","0.0008","11.4034","0.0004","8.9608","0.0004","90","","90","","90","","2423.28","0.16","293","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0669","0.0576","","","0.1785","0.2082","","","","","","1.131","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244236","23.3143","0.0004","11.3889","0.0002","8.873","0.0002","90","","90","","90","","2356","0.08","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0638","0.061","","","0.1785","0.1826","","","","","","1.066","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244237","23.3143","0.0005","11.3349","0.0003","8.8651","0.0002","90","","90","","90","","2342.74","0.1","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0579","0.0552","","","0.1559","0.1598","","","","","","1.095","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244238","23.3008","0.0002","11.372","0.0001","8.8724","0.0001","90","","90","","90","","2350.98","0.04","168","","168","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0378","0.0356","","","0.0973","0.0991","","","","","","1.078","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244239","23.2933","0.0003","11.4091","0.0001","8.8839","0.0001","90","","90","","90","","2360.95","0.05","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.1038","0.1058","","","","","","1.064","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244240","23.3005","0.0004","11.4213","0.0002","8.882","0.0002","90","","90","","90","","2363.7","0.08","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0843","0.0811","","","0.2268","0.2321","","","","","","1.06","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244241","23.3401","0.0004","11.5126","0.0002","8.9207","0.0001","90","","90","","90","","2397.04","0.06","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0434","0.0393","","","0.1055","0.1085","","","","","","1.075","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244242","23.3045","0.0002","11.3409","0.0001","8.8643","0.0001","90","","90","","90","","2342.78","0.04","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0346","","","0.0974","0.0993","","","","","","1.053","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244243","23.3229","0.0004","11.3803","0.00019","8.87309","0.00014","90","","90","","90","","2355.11","0.07","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1576","0.161","","","","","","1.07","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244244","23.3007","0.0002","11.4142","0.0001","8.8869","0.0001","90","","90","","90","","2363.55","0.04","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1216","0.1237","","","","","","1.061","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244245","23.5252","0.0004","11.2799","0.0002","8.9163","0.0002","90","","90","","90","","2366.05","0.08","148","","148","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.049","0.0458","","","0.1146","0.1173","","","","","","1.034","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244246","23.303","0.0002","11.3934","0.0001","8.8783","0.0001","90","","90","","90","","2357.19","0.04","183","","183","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.125","0.1272","","","","","","1.117","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244247","14.7213","0.0001","8.5748","0.0001","23.2614","0.0003","90","","94.011","0.001","90","","2929.15","0.05","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.05 H2.34 Br0.88 N0.29 -","- C2.04878 H2.34146 Br0.878049 N0.292683 -","- C84 H96 Br36 N12 -","41","10.25","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0467","0.0447","","","0.1453","0.147","","","","","","1.109","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244248","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272112","2022-01-18","23:35:12",""
"7244249","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244250","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272112","2022-01-18","23:35:13",""
"7244251","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244252","13.7446","0.0005","18.4533","0.0007","20.1499","0.0007","108.815","0.002","107.5","0.002","97.438","0.002","4466.2","0.3","293.02","","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1093","0.0783","","","0.1859","0.2063","","","","","","1.044","","","","has coordinates","272113","2022-01-18","23:35:57",""
"7244253","13.7311","0.0009","18.3631","0.0012","20.1893","0.0013","108.665","0.003","107.697","0.003","97.375","0.003","4448.8","0.5","293","2","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1123","0.0858","","","0.2019","0.2218","","","","","","1.013","","","","has coordinates,has disorder","272113","2022-01-18","23:35:58",""
"7244254","7.166","0.0003","21.8984","0.0007","13.6849","0.0004","90","","97.476","0.003","90","","2129.23","0.13","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0518","0.0376","","","0.1007","0.1076","","","","","","1.084","","","","has coordinates","272141","2022-01-19","23:33:26",""
"7244255","9.8311","0.0003","10.2683","0.0003","22.2426","0.0005","95.086","0.002","100.768","0.002","95.042","0.002","2184.59","0.11","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","2","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0714","0.0459","","","0.1229","0.1363","","","","","","1.063","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244256","7.6818","0.0004","9.1974","0.0003","15.4502","0.0005","76.568","0.003","78.786","0.004","73.558","0.004","1008.58","0.07","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C54 H36 N4 -","2","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0572","0.0409","","","0.1105","0.1201","","","","","","1.089","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244257","7.1397","0.0003","16.0756","0.0006","8.9196","0.0003","90","","104.983","0.001","90","","988.94","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-Tetrachloroterephthalonitrile Cocrystal","","- C12 H5 Cl2 N -","- C12 H5 Cl2 N -","- C48 H20 Cl8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.0744","0.0478","","","0.0847","0.0967","","","","","","1.135","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244258","7.1268","0.0011","8.6732","0.0014","15.297","0.002","90","","102.303","0.006","90","","923.8","0.2","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cocrystal","","- C12 H5 F2 N -","- C12 H5 F2 N -","- C48 H20 F8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.068","0.0444","","","0.1066","0.1325","","","","","","1.088","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244259","11.7324","0.0002","20.7132","0.0003","23.3587","0.0004","90","","95.466","0.002","90","","5650.72","0.16","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H62 Cu2 N8 O3 P2 -","- C64 H62 Cu2 N8 O3 P2 -","- C256 H248 Cu8 N32 O12 P8 -","4","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","1.54178","CuKα","","0.0832","0.0827","","","0.2124","0.2129","","","","","","1.059","","","","has coordinates","272169","2022-01-20","23:39:18",""
"7244260","12.647","0.003","17.053","0.003","17.208","0.003","90","","131.69","0.03","90","","2771.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Cu2 I2 N6 P2 -","- C59 H48 Cu2 I2 N6 P2 -","- C118 H96 Cu4 I4 N12 P4 -","2","0.5","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0802","0.0788","","","0.2015","0.2023","","","","","","1.153","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244261","11.5699","0.0005","12.5429","0.0003","13.6715","0.0004","88.298","0.002","73.809","0.003","87.479","0.003","1903.16","0.11","106.7","","106.7","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 B Cu F4 N4 P2 -","- C43 H36 B Cu F4 N4 P2 -","- C86 H72 B2 Cu2 F8 N8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0339","0.029","","","0.0669","0.0698","","","","","","1.038","","","","has coordinates,has disorder","272169","2022-01-20","23:39:19",""
"7244262","11.74","0.0011","12.5965","0.0013","13.7194","0.0014","88.186","0.002","73.757","0.001","87.479","0.002","1945.6","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 O4.01 P2 -","- C43 H36 Cl Cu N4 O4 P2 -","- C86 H72 Cl2 Cu2 N8 O8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.087","0.0632","","","0.1504","0.1597","","","","","","1.051","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244263","24.6439","0.0003","10.20305","0.00013","31.8756","0.0004","90","","98.5114","0.0011","90","","7926.62","0.17","99.97","0.1","99.97","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 Cl Cu N4 O4 P2 -","- C45 H40 Cl Cu N4 O4 P2 -","- C360 H320 Cl8 Cu8 N32 O32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.0947","0.0958","","","","","","1.024","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244264","24.62","0.0002","10.2078","0.00009","31.7453","0.0003","90","","98.052","0.0009","90","","7899.45","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 B Cu F4 N4 P2 -","- C45 H40 B Cu F4 N4 P2 -","- C360 H320 B8 Cu8 F32 N32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1082","0.1088","","","","","","1.058","","","","has coordinates","272169","2022-01-20","23:39:20",""
"7244265","8.7824","0.0002","8.8235","0.0001","22.0837","0.0004","90","","95.202","0.002","90","","1704.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diisopropylammonium sulfate","","- C12 H32 N2 O4 S -","- C12 H32 N2 O4 S -","- C48 H128 N8 O16 S4 -","4","1","","Turek, Marika; Biczak, Robert; Pawłowska, Barbara; Różycka-Sokołowska, Ewa; Owsianik, Krzysztof; Marciniak, Bernard; Bałczewski, Piotr","The need to change the approach to the safe use of herbicides by developing chiral and environmentally friendly formulations: a series of enantioselective (R)- and (S)-phenylethylammonium chloroacetates","Green Chemistry","2022","24","4","1693","1703","10.1039/D1GC03970A","","","1.54184","CuKα","","0.0366","0.0349","","","0.096","0.0979","","","","","","1.035","","","","has coordinates,has disorder","273377","2022-03-04","22:16:54",""
"7244266","35.1476","0.0007","7.20907","0.00013","16.4888","0.0003","90","","90","","90","","4177.96","0.14","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.5 H25 Cl N5 O0.5 -","- C22.5 H25 Cl N5 O0.5 -","- C180 H200 Cl8 N40 O4 -","8","2","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0431","0.0379","","","0.092","0.0958","","","","","","1.056","","","","has coordinates","272181","2022-01-21","02:14:00",""
"7244267","13.6704","0.0006","17.4161","0.0008","19.5839","0.001","90","","90","","90","","4662.6","0.4","120","0.14","120","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H26 Cl N5 O6 -","- C23 H26 Cl N5 O6 -","- C184 H208 Cl8 N40 O48 -","8","0.5","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0573","0.0538","","","0.1434","0.1482","","","","","","1.06","","","","has coordinates,has disorder","272181","2022-01-21","02:14:11",""
"7244268","13.6541","0.0005","20.9932","0.001","33.7804","0.0015","90","","90","","90","","9682.9","0.7","120.01","0.19","120.01","0.19","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H50 Cl2 Cu N10 O12 -","- C46 H50 Cl2 Cu N10 O12 -","- C368 H400 Cl16 Cu8 N80 O96 -","8","0.25","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0757","0.0675","","","0.1857","0.1934","","","","","","1.057","","","","has coordinates","272181","2022-01-21","02:14:13",""
"7244269","15.2533","0.0007","12.9873","0.0005","13.5404","0.0005","90","","107.731","0.004","90","","2554.92","0.19","120","0.11","120","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl F6 N5 O6 -","- C23 H20 Cl F6 N5 O6 -","- C92 H80 Cl4 F24 N20 O24 -","4","1","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0719","0.0584","","","0.1496","0.164","","","","","","1.016","","","","has coordinates,has disorder","272181","2022-01-21","02:14:20",""
"7244270","17.0485","0.0004","21.1841","0.0006","17.4301","0.0005","90","","94.546","0.002","90","","6275.2","0.3","120","0.4","120","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 Cu N10 O8.33 -","- C42 H42 Cl2 Cu N10 O8.33333 -","- C252 H252 Cl12 Cu6 N60 O50 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0862","0.0615","","","0.1443","0.1593","","","","","","1.037","","","","has coordinates","272181","2022-01-21","02:14:23",""
"7244271","13.17337","0.00016","21.4452","0.0002","18.6491","0.0002","90","","109.148","0.0014","90","","4976.99","0.1","120.01","0.16","120.01","0.16","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Cu F12 N10 O12 -","- C46 H38 Cl2 Cu F12 N10 O12 -","- C184 H152 Cl8 Cu4 F48 N40 O48 -","4","0.5","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0493","0.0476","","","0.1135","0.1148","","","","","","1.031","","","","has coordinates,has disorder","272181","2022-01-21","02:14:35",""
"7244272","17.0846","0.0003","21.1938","0.0004","17.4229","0.0003","90","","94.0351","0.0015","90","","6293","0.2","120.1","0.3","120.1","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 N10 O8.33 Zn -","- C42 H42.6667 Cl2 N10 O8.33333 Zn -","- C252 H256 Cl12 N60 O50 Zn6 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0472","0.0416","","","0.1024","0.1068","","","","","","1.017","","","","has coordinates,has disorder","272181","2022-01-21","02:14:46",""
"7244273","13.1544","0.0004","21.5464","0.0004","18.6498","0.0006","90","","109.32","0.003","90","","4988.2","0.3","120.1","0.4","120.1","0.4","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H38 Cl2 F12 N10 O12 Zn -","- C46 H38 Cl2 F12 N10 O12 Zn -","- C184 H152 Cl8 F48 N40 O48 Zn4 -","4","1","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","0.71073","MoKα","","0.0466","0.0398","","","0.0833","0.0872","","","","","","1.017","","","","has coordinates","272181","2022-01-21","02:14:58",""
"7244274","33.179","0.007","14.251","0.003","15.092","0.003","90","","110.281","0.005","90","","6694","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Br4 Co N2 -","- C24 H42 Br4 Co N2 -","- C192 H336 Br32 Co8 N16 -","8","1","","Khalfa, M.; Oueslati, A.; Khirouni, K.; Gargouri, M.; Rousseau, A.; Lhoste, J.; Bardeau, J.-F.; Corbel, G.","Synthesis, structural and electrical characterization of a new organic inorganic bromide: [(C3H7)4N]2CoBr4","RSC Advances","2022","12","5","2798","2809","10.1039/D1RA07965D","","","0.71073","MoKα","","0.1181","0.0473","","","0.1059","0.133","","","","","","0.997","","","","has coordinates","272182","2022-01-21","02:16:10",""
"7244275","9.2809","0.0009","25.774","0.003","17.6172","0.0018","90","","92.261","0.001","90","","4210.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl9 N3 Sb2 -","- C30 H48 Cl9 N3 Sb2 -","- C120 H192 Cl36 N12 Sb8 -","4","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","x-ray","0.71073","MoKα","","0.0576","0.0485","","","0.1448","0.1524","","","","","","1.065","","","","has coordinates","272214","2022-01-24","23:34:41",""
"7244276","9.275","0.002","13.826","0.003","18.274","0.004","83.423","0.005","89.796","0.006","76.621","0.005","2264.1","0.9","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cl9 F3 N3 Sb2 -","- C30 H45 Cl9 F3 N3 Sb2 -","- C60 H90 Cl18 F6 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1152","0.0898","","","0.2772","0.3029","","","","","","1.058","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244277","9.1074","0.001","14.2404","0.0016","18.54","0.002","84.512","0.009","89.419","0.009","77.186","0.008","2333.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Cl12 N3 Sb2 -","- C30 H45 Cl12 N3 Sb2 -","- C60 H90 Cl24 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1601","0.0995","","","0.2704","0.3082","","","","","","1.039","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244278","9.3055","0.0003","14.9937","0.0006","18.0441","0.0007","84.989","0.003","86.538","0.003","74.258","0.002","2412.13","0.16","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 Cl9 N3 Sb2 -","- C30 H45 Br3 Cl9 N3 Sb2 -","- C60 H90 Br6 Cl18 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1368","0.1008","","","0.3214","0.3504","","","","","","1.334","","","","has coordinates","272214","2022-01-24","23:34:52",""
"7244279","22.3041","0.0009","28.6028","0.0014","29.0127","0.0013","90","","90","","90","","18508.9","1.4","292.4","0.3","292.4","0.3","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C408 H248 Eu16 N52 O112 -","- C408 H248 Eu16 N52 O112 -","- C816 H496 Eu32 N104 O224 -","2","0.0625","","Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng","A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems","CrystEngComm","2022","24","7","1358","1367","10.1039/D1CE01432C","","x-ray","1.54184","CuKα","","0.0478","0.0401","","","0.09","0.0946","","","","","","1.051","","","","has coordinates","273359","2022-03-04","22:09:53",""
"7244280","4.8141","0.0005","27.892","0.002","8.7246","0.0008","90","","104.63","0.003","90","","1133.51","0.18","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid acetone solvate","","- C10 H11 Br O5 -","- C10 H11 Br O5 -","- C40 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0783","0.0469","","","0.0753","0.0821","","","","","","1.073","","","","has coordinates","272229","2022-01-25","23:38:00",""
"7244281","10.8995","0.0004","17.2454","0.0006","13.5191","0.0005","90","","111.328","0.005","90","","2367.1","0.17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid DMF solvate","","- C10 H12 Br N O5 -","- C10 H12 Br N O5 -","- C80 H96 Br8 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0675","0.0431","","","0.0763","0.086","","","","","","1.028","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244282","10.7541","0.001","5.1393","0.0005","18.7589","0.0019","90","","91.411","0.003","90","","1036.46","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid ethanol solvate","","- C9 H11 Br O5 -","- C9 H11 Br O5 -","- C36 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0631","0.0372","","","0.0513","0.0561","","","","","","1.046","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244283","17.681","0.0012","3.8913","0.0003","18.1986","0.0014","90","","90","","90","","1252.1","0.16","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-dibromo-resorcylic acid DMF solvate","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C40 H44 Br8 N4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0224","0.0212","","","0.0466","0.0468","","","","","","1.093","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244284","7.8467","0.0005","8.5738","0.0005","9.3115","0.0006","73.0626","0.0018","68.6204","0.0018","83.6321","0.0019","558.02","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","5-bromo-resorcylic acid DMSO solvate","","- C9 H11 Br O5 S -","- C9 H11 Br O5 S -","- C18 H22 Br2 O10 S2 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0244","0.02","","","0.0498","0.052","","","","","","1.0743","","","","has coordinates","272229","2022-01-25","23:38:03",""
"7244285","4.275","0.0004","10.1068","0.0009","12.6263","0.0012","108.66","0.003","98.455","0.003","97.857","0.003","501.32","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid dioxane hemisolvate","","- C9 H9 Br O5 -","- C9 H9 Br O5 -","- C18 H18 Br2 O10 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0426","0.034","","","0.0776","0.0815","","","","","","1.0591","","","","has coordinates","272229","2022-01-25","23:38:05",""
"7244286","4.9186","0.0007","14.079","0.002","14.695","0.002","97.214","0.004","91.367","0.003","98.717","0.004","996.9","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid 2-butanone hemisolvate","","- C9 H9 Br O4.5 -","- C9 H9 Br O4.5 -","- C36 H36 Br4 O18 -","4","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.1426","0.0627","","","0.074","0.0897","","","","","","1.0368","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244287","5.0921","0.0003","9.6935","0.0006","27.0491","0.0016","90","","91.041","0.002","90","","1334.93","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid dioxane solvate","","- C11 H12 Br2 O6 -","- C11 H12 Br2 O6 -","- C44 H48 Br8 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0443","0.0462","","","","","","1.082","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244288","4.8148","0.0004","15.5203","0.0012","15.6723","0.0012","90","","96.448","0.002","90","","1163.74","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid THF solvate","","- C11 H13 Br O5 -","- C11 H13 Br O5 -","- C44 H52 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0801","0.0526","","","0.1279","0.1442","","","","","","0.9714","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244289","4.6177","0.0005","17.933","0.002","11.6033","0.0015","90","","99.898","0.004","90","","946.56","0.19","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Resorcylic acid acetic acid solvate","","- C9 H10 O6 -","- C9 H10 O6 -","- C36 H40 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0683","0.0417","","","0.0886","0.0979","","","","","","1.063","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244290","8.1238","0.0004","24.7317","0.0015","7.2459","0.0004","90","","93.5848","0.0019","90","","1452.96","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dibromo-resorcylic acid pentanol solvate","","- C12 H16 Br2 O5 -","- C12 H16 Br2 O5 -","- C48 H64 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0361","0.0291","","","0.0553","0.0568","","","","","","1.189","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244291","4.8463","0.0003","14.8609","0.001","13.0678","0.0008","90","","95.0313","0.0019","90","","937.52","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid methanol solvate","","- C8 H9 Br O5 -","- C8 H9 Br O5 -","- C32 H36 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.059","0.0625","","","","","","1.054","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244292","12.32","0.004","24.91","0.007","7.009","0.002","90","","96.322","0.007","90","","2137.9","1.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","resorcylic acid DMF solvate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.1352","0.0928","","","0.214","0.2537","","","","","","0.843","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244293","22.7597","0.0016","6.6011","0.0005","16.7307","0.0012","90","","90","","90","","2513.6","0.3","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5-bromo-resorcylic acid dioxane solvate","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C88 H104 Br8 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0693","0.0434","","","0.088","0.097","","","","","","1.083","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244294","4.9275","0.0003","16.6356","0.0009","15.8268","0.0008","90","","97.1838","0.0017","90","","1287.17","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid THF solvate","","- C11 H12 Br2 O5 -","- C11 H12 Br2 O5 -","- C44 H48 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0277","0.0211","","","0.047","0.0491","","","","","","1.093","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244295","13.2219","0.0017","6.4624","0.0008","11.2303","0.0014","90","","111.089","0.002","90","","895.3","0.2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","resorcylic acid dioxane hemisolvate","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.0873","0.0816","","","0.2186","0.2268","","","","","","1.04","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244296","17.2749","0.0009","3.9072","0.0002","35.441","0.002","90","","98.9201","0.0016","90","","2363.2","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3,5-dibromo-resorcylic acid acetic acid solvate","","- C9 H8 Br2 O6 -","- C9 H8 Br2 O6 -","- C72 H64 Br16 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0642","0.0465","","","0.1078","0.1167","","","","","","1.087","","","","has coordinates","272229","2022-01-25","23:38:07",""
"7244297","11.353","0.008","13.367","0.008","12.835","0.007","90","","100.25","0.02","90","","1917","2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Sharapov, Ainur D.; Fatykhov, Ramil F.; Khalymbadzha, Igor A.; Sharutin, Vladimir V.; Santra, Sougata; Zyryanov, Grigory V.; Chupakhin, Oleg N.; Ranu, Brindaban C.","Mechanochemical synthesis of coumarins via Pechmann condensation under solvent-free conditions: an easy access to coumarins and annulated pyrano[2,3-f] and [3,2-f]indoles","Green Chemistry","2022","24","6","2429","2437","10.1039/D1GC04564D","","","0.71073","MoKα","","0.0986","0.0705","","","0.212","0.2405","","","","","","1.036","","","","has coordinates","274990","2022-05-05","20:37:33",""
"7244298","21.1103","0.0013","21.6232","0.0014","8.7121","0.0006","90","","90","","90","","3976.8","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tetramethyl 1,4(1,4)-dibenzenacyclohexaphane-1^2^,1^5^-diylbis(phosphonate)","","- C20 H26 O6 P2 -","- C20 H26 O6 P2 -","- C160 H208 O48 P16 -","8","0.5","","Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan","C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds","RSC Advances","2022","12","6","3309","3312","10.1039/D2RA00094F","","","1.54178","CuKα","","0.0213","0.0213","","","0.0599","0.0599","","","","","","1.121","","","","has coordinates","272241","2022-01-26","02:09:38",""
"7244299","4.9401","0.001","15.61","0.003","18.58","0.004","90","","95.47","0.03","90","","1426.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F6 O8 Sc -","- C12 H4 F6 O8 Sc -","- C48 H16 F24 O32 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.0843","0.055","","","0.1194","0.1331","","","","","","0.935","","","","has coordinates","272261","2022-01-26","23:42:53",""
"7244300","4.79757","0.00017","10.087","0.0004","18.1374","0.0007","80.387","0.003","84.542","0.003","88.51","0.003","861.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F6 O11 Sc -","- C12 H10 F6 O11 Sc -","- C24 H20 F12 O22 Sc2 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0432","0.0335","","","0.0759","0.0797","","","","","","1.044","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244301","6.4029","0.0011","7.5702","0.0012","19.555","0.002","90","","90.416","0.012","90","","947.8","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 F4 O6 Sc -","- C8 H3 F4 O6 Sc -","- C32 H12 F16 O24 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0965","0.083","","","0.2311","0.2582","","","","","","1.126","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244302","11.7838","0.0003","47.9476","0.0014","9.0077","0.0002","90","","90","","90","","5089.4","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C16 H17 Cs F8 O16.5 Sc -","- C16 Cs F8 O16.5 Sc -","- C128 Cs8 F64 O132 Sc8 -","8","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0675","0.0642","","","0.1696","0.1743","","","","","","1.065","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244303","5.0987","0.001","15.675","0.003","20.124","0.004","67.45","0.03","86.97","0.03","89.01","0.03","1483.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F12 O16 Sc2 -","- C24 H8 F12 O16 Sc2 -","- C48 H16 F24 O32 Sc4 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.1078","0.0822","","","0.1871","0.2188","","","","","","1.04","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244304","8.9823","0.0002","11.4355","0.0004","48.3424","0.0013","90","","90","","90","","4965.6","0.2","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H18 F8 K O17 Sc -","- C16 H18 F8 K O17 Sc -","- C128 H144 F64 K8 O136 Sc8 -","8","0.25","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.023","0.0221","","","0.0637","0.0642","","","","","","1.074","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244305","11.5295","0.0004","9.0506","0.0003","24.8337","0.0008","90","","103.339","0.004","90","","2521.46","0.15","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F8 N O17 Sc -","- C16 H22 F8 N O17 Sc -","- C64 H88 F32 N4 O68 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0791","0.0837","","","","","","1.037","","","","has coordinates","272261","2022-01-26","23:42:55",""
"7244306","6.09721","0.0001","7.50731","0.00016","7.6779","0.0002","110.428","0.0013","93.167","0.0013","113.509","0.0014","294.172","0.012","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Ag2 Mo2 O7 -","- Ag2 Mo2 O7 -","- Ag4 Mo4 O14 -","2","1","","Yan, Weixin; Zhu, Dongmei; Wang, Zhaofeng; Xia, Yunhao; Gui, Dong-Yun; Luo, Fa; Wang, Chun-Hai","Ag2Mo2O7: an oxide solid-state Ag+ electrolyte","RSC Advances","2022","12","6","3494","3499","10.1039/D1RA07097E","","","","","","","","","","","","","","","","","","","","","has coordinates","272268","2022-01-27","02:10:16",""
"7244307","8.916","0.0018","22.953","0.005","19.545","0.004","90","","90","","90","","3999.9","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H48 N4 O29 P2 -","- C18 H48 N4 O29 P2 -","- C72 H192 N16 O116 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1342","0.09","","","0.2113","0.2354","","","","","","1.116","","","","has coordinates","272308","2022-01-28","01:56:49",""
"7244308","8.924","0.003","22.99","0.01","19.456","0.008","90","","90","","90","","3992","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H28 N4 Na2 O35 P2 -","- C18 H28 N4 Na2 O35 P2 -","- C72 H112 N16 Na8 O140 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1316","0.1269","","","0.3455","0.3564","","","","","","1.854","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244309","8.917","0.003","22.854","0.009","19.353","0.007","90","","90","","90","","3944","2","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na3 O36 P2 -","- C18 H22 N4 Na3 O36 P2 -","- C72 H88 N16 Na12 O144 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.121","0.1186","","","0.3427","0.3481","","","","","","1.978","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244310","8.9287","0.0013","22.941","0.003","19.433","0.003","90","","90","","90","","3980.5","1","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na4 O32 P2 -","- C18 H22 N4 Na4 O32 P2 -","- C72 H88 N16 Na16 O128 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1098","0.1077","","","0.3096","0.3146","","","","","","1.725","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244311","12.0722","0.0005","8.0184","0.0004","16.9466","0.0007","90","","108.408","0.0017","90","","1556.49","0.12","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H22 N4 O10 U Zn -","- C32 H22 N4 O10 U Zn -","- C64 H44 N8 O20 U2 Zn2 -","2","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0174","0.0163","","","0.0401","0.0406","","","","","","1.063","","","","has coordinates","272324","2022-01-28","23:31:21",""
"7244312","7.3392","0.0004","8.7663","0.0004","11.8187","0.0005","109.042","0.0016","92.0632","0.0019","108.711","0.0017","672.34","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O7 U -","- C11 H13 N O7 U -","- C22 H26 N2 O14 U2 -","2","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0142","0.0135","","","0.0325","0.0328","","","","","","1.075","","","","has coordinates,has disorder","272324","2022-01-28","23:31:21",""
"7244313","30.9868","0.0018","13.0858","0.0007","16.4519","0.0009","90","","115.924","0.003","90","","5999.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H82 N2 O16 U2 -","- C43 H82 N2 O16 U2 -","- C172 H328 N8 O64 U8 -","4","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0414","0.0304","","","0.076","0.0811","","","","","","1.074","","","","has coordinates","272324","2022-01-28","23:31:22",""
"7244314","16.4803","0.0005","8.2141","0.0002","24.4218","0.0007","90","","98.7372","0.0012","90","","3267.63","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 N O7 U -","- C13 H21 N O7 U -","- C104 H168 N8 O56 U8 -","8","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0187","0.0181","","","0.0367","0.0369","","","","","","1.279","","","","has coordinates,has disorder","272324","2022-01-28","23:31:22",""
"7244315","9.5605","0.0002","15.8753","0.0003","31.531","0.002","92.892","0.007","93.983","0.007","98.707","0.007","4710","0.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H108.2 Cl4 Mn2 N8.2 O30 -","- C68 H91.2 Cl3 Mn2 N5.2 O22 -","- C136 H182.4 Cl6 Mn4 N10.4 O44 -","2","1","","Buchanan, Jenna; Dais, Tyson N.; Plieger, Paul","Computational Studies of the Magneto-structural Correlations in a Manganese Dimer with Jahn-Teller Distortions","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05514C","","x-ray","1.54178","CuKα","","0.1959","0.1206","","","0.3141","0.386","","","","","","1.099","","","","has coordinates,has disorder","272339","2022-01-29","01:43:25",""
"7244316","10.3261","0.0015","6.0071","0.001","4.6943","0.0007","90","","90","","90","","291.19","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","LiFePO4","Nitrided LFP","","- Fe Li0.94 N0.16 O3.84 P -","- Fe Li0.94 N0.16 O3.84 P -","- Fe4 Li3.76 N0.64 O15.36 P4 -","4","0.5","","Mayer, Sergio Federico; de la Calle, Cristina; Fernández-Díaz, María Teresa; Amarilla, José Manuel; Alonso, José Antonio","Nitridation effect on lithium iron phosphate cathode for rechargeable batteries","RSC Advances","2022","12","6","3696","3707","10.1039/D1RA07574H","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.396","0.909","","","","","","","has coordinates","272340","2022-01-29","02:07:11",""
"7244317","8.4306","0.0014","9.2108","0.0016","10.5745","0.0018","76.941","0.006","88.026","0.005","75.718","0.006","775","0.2","164","2","164","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 N O2 S Se Zn -","- C15 H17 N O2 S Se Zn -","- C30 H34 N2 O4 S2 Se2 Zn2 -","2","1","","Upadhyay, Aditya; Saurav, K. V.; Varghese, Evelin Lilly; Hodage, Ananda S.; Paul, Amit; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar; Kumar, Sangit","Proton reduction by a bimetallic zinc selenolate electrocatalyst","RSC Advances","2022","12","7","3801","3808","10.1039/D1RA08614F","","","0.71073","MoKα","","0.1034","0.0477","","","0.1104","0.1405","","","","","","0.882","","","","has coordinates","272351","2022-01-31","01:51:54",""
"7244318","15.006","0.0013","20.6811","0.0016","22.944","0.002","90","","99.494","0.004","90","","7022.9","1","292.52","","292.52","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N26 O32 -","- C55 H90 N26 O32 -","- C220 H360 N104 O128 -","4","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0884","0.0556","","","0.1337","0.1561","","","","","","1.061","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244319","12.304","0.002","12.4966","0.0018","13.125","0.002","64.88","0.006","89.809","0.006","79.159","0.006","1787.9","0.5","292.28","","292.28","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1041","","","","","","1.117","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244320","12.4914","0.0007","13.5836","0.0007","13.6906","0.0006","105.65","0.002","95.32","0.002","113.732","0.002","1993.62","0.18","292.26","","292.26","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0609","0.048","","","0.1267","0.1387","","","","","","1.059","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244321","23.0996","0.0013","18.4319","0.0011","33.9541","0.0019","90","","103.095","0.002","90","","14080.7","1.4","143.01","","143.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","1","0.25","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","1.54178","CuKα","","0.0488","0.0439","","","0.111","0.1159","","","","","","1.05","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244324","9.0932","0.0018","9.1069","0.0017","9.8502","0.0019","90","","108.847","0.004","90","","772","0.3","220","","220","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ag4 H6 N22 -","- Ag4 H6 N22 -","- Ag8 H12 N44 -","2","0.5","","Zhang, Xiaopeng; Hou, Tianyang; Lin, Qiuhan; Wang, Pengcheng; Li, Dongxue; Xu, Yuangang; Lu, Ming","Fascinating 3D energetic [Ag2(N5)2(EDA)]n: filling the ethylenediamine molecules into [Ag(N5)]n framework","CrystEngComm","2022","","","","","10.1039/D2CE00086E","","","0.71073","MoKα","","0.11","0.0415","","","0.0654","0.084","","","","","","0.971","","","","has coordinates","272360","2022-01-31","23:37:58",""
"7244325","7.6046","0.0012","10.4682","0.0016","12.881","0.002","75.411","0.004","86.794","0.005","79.566","0.005","975.9","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cd N8 O12 -","- C32 H32 Cd N8 O12 -","- C32 H32 Cd N8 O12 -","1","0.5","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Modulating catalytic activity of a modified flavin analogue via judicially positioned metal ion toward aerobic sulphoxidation","RSC Advances","2022","12","7","3990","3995","10.1039/D1RA06558K","","","0.71073","MoKα","","0.1148","0.0604","","","0.1321","0.1513","","","","","","0.978","","","","has coordinates","272408","2022-02-02","02:08:09",""
"7244326","18.6318","0.0008","11.4451","0.0005","19.7386","0.0008","90","","106.504","0.001","90","","4035.7","0.3","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N2 O8 Tb -","- C15 H17 N2 O8 Tb -","- C120 H136 N16 O64 Tb8 -","8","1","","Yang, Xiaozhan; Liang, Yicun; Feng, Wenlin; Yang, Chaolong; Wang, Lian; Huang, Guojia; Wang, Daoyuan","Hollow terbium metal–organic-framework spheres: preparation and their performance in Fe3+ detection","RSC Advances","2022","12","7","4153","4161","10.1039/D1RA08088A","","","1.34139","GaKα","","0.0437","0.0395","","","0.1074","0.1101","","","","","","1.076","","","","has coordinates","272409","2022-02-02","02:08:29",""
"7244327","7.7807","0.0003","13.9973","0.0007","15.18","0.0008","90","","90","","90","","1653.24","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br N O4 -","- C16 H20 Br N O4 -","- C64 H80 Br4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0646","0.0356","","","0.078","0.087","","","","","","0.987","","","","has coordinates","272442","2022-02-03","02:07:45",""
"7244328","5.467","0.0002","27.8275","0.0012","32.842","0.002","90","","90","","90","","4996.4","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C204 H252 N12 O36 S12 -","12","3","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1652","0.043","","","0.0699","0.0874","","","","","","0.647","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244329","6.0976","0.0004","9.5728","0.0008","12.3463","0.001","99.389","0.007","90.433","0.006","89.796","0.007","710.99","0.1","243","1","243","1","","","","","","","","5","P 1","P 1","1","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1036","0.0532","","","0.1105","0.1234","","","","","","0.901","","","","has coordinates,has disorder","272442","2022-02-03","02:07:46",""
"7244330","5.4649","0.0001","10.7205","0.0004","26.0834","0.0007","90","","90","","90","","1528.13","0.08","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0342","0.0312","","","0.0849","0.087","","","","","","1.079","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244331","11.5839","0.0015","6.982","0.0005","16.333","0.002","90","","102.429","0.01","90","","1290","0.3","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1941","0.0507","","","0.0954","0.1198","","","","","","0.713","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244332","8.2312","0.0005","9.114","0.0009","13.9693","0.001","90","","90","","90","","1047.97","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0424","0.0271","","","0.0501","0.0531","","","","","","0.877","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244333","7.0341","0.0008","14.022","0.002","14.321","0.002","90","","90","","90","","1412.5","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1343","0.0372","","","0.0593","0.0736","","","","","","0.681","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244334","7.481","0.0004","10.464","0.0009","15.998","0.001","90","","90","","90","","1252.34","0.15","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0709","0.0379","","","0.0762","0.0832","","","","","","0.813","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244335","15.5979","0.0006","10.9206","0.0004","18.8109","0.0006","90","","100.611","0.003","90","","3149.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al N4 P -","- C31 H48 Al N4 P -","- C124 H192 Al4 N16 P4 -","4","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","","0.71073","MoKα","","0.0583","0.0432","","","0.1191","0.1273","","","","","","1.055","","","","has coordinates","272543","2022-02-04","02:15:03",""
"7244336","10.4218","0.0005","14.9253","0.0007","20.5378","0.0009","90","","100.693","0.005","90","","3139.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.75 H11.75 N P0.25 -","- C7.75 H11.75 N P0.25 -","- C124 H188 N16 P4 -","16","4","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.1174","0.0899","","","0.2664","0.2856","","","","","","1.045","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244337","9.4611","0.0002","12.4141","0.0003","16.7883","0.0004","101.57","0.002","100.081","0.002","111.127","0.002","1734.64","0.08","249.99","0.1","249.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H49 N4 P -","- C39 H47 N4 P -","- C78 H94 N8 P2 -","2","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.0571","0.0461","","","0.1275","0.1344","","","","","","1.084","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244338","13.5229","0.0005","18.5921","0.0008","18.0626","0.0008","90","","100.669","0.004","90","","4462.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Al N4 P -","- C47 H64 Al N4 P -","- C188 H256 Al4 N16 P4 -","4","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","","0.71073","MoKα","","0.0899","0.0661","","","0.1954","0.2079","","","","","","1.355","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244339","10.235","0.0002","19.87","0.0003","20.5541","0.0004","99.08","0.002","91.255","0.002","100.416","0.002","4054.2","0.13","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C85 H107 Al2 N8 P2 -","- C85 H107 Al2 N8 P2 -","- C170 H214 Al4 N16 P4 -","2","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.0579","0.0424","","","0.115","0.1224","","","","","","1.05","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244340","8.4459","0.0004","24.339","0.0011","24.7639","0.0011","90","","95.441","0.001","90","","5067.6","0.4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cu Mo8 N10 O29 -","- C36 H34 Cu Mo8 N10 O29 -","- C144 H136 Cu4 Mo32 N40 O116 -","4","0.5","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.062","0.0352","","","0.0695","0.0782","","","","","","1.013","","","","has coordinates","272544","2022-02-04","02:16:14",""
"7244341","12.1311","0.0014","19.995","0.002","14.539","0.0016","90","","93.938","0.002","90","","3518.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Mo2 N10 Ni O7 -","- C36 H26 Mo2 N10 Ni O7 -","- C144 H104 Mo8 N40 Ni4 O28 -","4","1","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.0815","0.049","","","0.1303","0.1552","","","","","","0.918","","","","has coordinates","272544","2022-02-04","02:16:15",""
"7244342","7.8269","0.0004","10.4537","0.0005","17.1966","0.0008","95.109","0.001","91.567","0.001","97.266","0.001","1389.12","0.12","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Cr Mo6 N10 Ni2 O34 -","- C36 H44 Cr Mo6 N10 Ni2 O34 -","- C36 H44 Cr Mo6 N10 Ni2 O34 -","1","0.5","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.0517","0.0376","","","0.087","0.0939","","","","","","1.004","","","","has coordinates,has disorder","272544","2022-02-04","02:16:15",""
"7244343","11.2965","0.0008","23.8196","0.0017","12.6524","0.0008","90","","98.894","0.003","90","","3363.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl4 Ni O2 P3 -","- C33 H31 Cl4 Ni O2 P3 -","- C132 H124 Cl16 Ni4 O8 P12 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.149","0.0598","","","0.0967","0.127","","","","","","1.041","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244344","10.6099","0.001","22.192","0.002","20.122","0.002","90","","91.369","0.003","90","","4736.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Cl2 F12 N2 Ni O2 P5 -","- C41 H45 Cl2 F12 N2 Ni O2 P5 -","- C164 H180 Cl8 F48 N8 Ni4 O8 P20 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0498","0.0382","","","0.0928","0.0995","","","","","","1.03","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244345","10.486","0.0007","13.2706","0.0009","29.888","0.002","90","","91.166","0.003","90","","4158.2","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl F6 N Ni O2 P4 -","- C41 H38 Cl F6 N Ni O2 P4 -","- C164 H152 Cl4 F24 N4 Ni4 O8 P16 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.1139","0.054","","","0.1319","0.1781","","","","","","1.068","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244346","11.235","0.002","22.991","0.004","20.206","0.004","90","","97.139","0.006","90","","5178.8","1.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 Cl2 F12 N2 Ni O2 P5 -","- C43 H49 Cl2 F12 N2 Ni O2 P5 -","- C172 H196 Cl8 F48 N8 Ni4 O8 P20 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0943","0.0658","","","0.1895","0.2038","","","","","","1.074","","","","has coordinates,has disorder","272545","2022-02-04","02:17:48",""
"7244347","12.0853","0.0007","12.7608","0.0008","12.9324","0.0007","106.472","0.003","94.713","0.003","115.252","0.002","1681.69","0.18","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Cl F6 Ni O2 P4 -","- C32 H29 Cl F6 Ni O2 P4 -","- C64 H58 Cl2 F12 Ni2 O4 P8 -","2","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.061","0.038","","","0.0947","0.1034","","","","","","1.044","","","","has coordinates","272545","2022-02-04","02:17:49",""
"7244348","16.0943","0.0009","16.0943","0.0009","16.0943","0.0009","90","","90","","90","","4168.9","0.4","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C39 H36 Cl F6 Ni O3 P5 -","- C39 H36 Cl F6 Ni O3 P5 -","- C156 H144 Cl4 F24 Ni4 O12 P20 -","4","0.333333","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0924","0.063","","","0.1675","0.1973","","","","","","1.059","","","","has coordinates","272545","2022-02-04","02:17:49",""
"7244349","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272810","2022-02-05","23:30:20",""
"7244350","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272810","2022-02-05","23:30:30",""
"7244351","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272810","2022-02-05","23:30:31",""
"7244352","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272810","2022-02-05","23:30:34",""
"7244353","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Wang, Luan; Yao, Xu; Zou, Xiaoyan; Li, Jingfang; Sun, Wenbin; Li, Guangming","Salen-type mononuclear dysprosium complex displays significant performance of single-molecule magnet","CrystEngComm","2022","","","","","10.1039/D1CE01684A","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","272811","2022-02-05","23:31:58",""
"7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244359","15.4025","0.0009","5.8486","0.0003","22.1487","0.0013","90","","109.329","0.002","90","","1882.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl4 N4 -","- C44 H38 Cl4 N4 -","- C88 H76 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0812","0.0456","","","0.0854","0.0956","","","","","","1.05","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244360","19.9543","0.001","19.7136","0.0009","13.2726","0.0006","90","","90","","90","","5221.1","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.33 H7.72 B0.64 N1.44 O24 Si11.37 -","- C4.326 H7.931 B0.64 N1.442 O24 Si11.36 -","- C34.608 H63.448 B5.12 N11.536 O192 Si90.88 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.012","2.142","","","","","","","has coordinates","272846","2022-02-07","23:41:12",""
"7244361","20.0445","0.0002","19.9204","0.0002","13.3984","0.0001","90","","90","","90","","5349.91","0.09","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","TPA_MFI","","","- C7.08 H15.34 B0.09 N0.59 O24 Si11.71 -","- C7.08 H15.635 B0.0875 N0.59 O24 Si11.7138 -","- C56.64 H125.08 B0.7 N4.72 O192 Si93.7104 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.039","3.512","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244362","19.9997","0.001","19.7849","0.001","13.3278","0.0006","90","","90","","90","","5273.7","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.91 H9.18 B0.59 N1.11 O24 Si11.44 -","- C5.064 H9.495 B0.59 N1.266 O24 Si11.41 -","- C40.512 H75.96 B4.72 N10.128 O192 Si91.28 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.016","1.929","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244363","19.9106","0.0011","19.6572","0.0011","13.2495","0.0007","90","","90","","90","","5185.7","0.5","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3.97 H7.5 B0.79 N1.67 O24 Si11.21 -","- C4.165 H7.497 B0.79 N1.666 O24 Si11.21 -","- C33.32 H59.976 B6.32 N13.328 O192 Si89.68 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.562","1.494","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244364","19.9892","0.0003","19.761","0.0003","13.3066","0.0003","90","","90","","90","","5256.19","0.16","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5.08 H10.56 B0.78 N1.37 O24 Si11.22 -","- C5.278 H10.558 B0.78 N1.564 O24 Si11.22 -","- C42.224 H84.464 B6.24 N12.512 O192 Si89.76 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.019","2.186","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244365","8.5208","0.0003","16.3781","0.0005","12.7517","0.0004","90","","104.438","0.003","90","","1723.36","0.1","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 N2 O6 Zn -","- C14 H14 F4 N2 O6 Zn -","- C56 H56 F16 N8 O24 Zn4 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.033","0.0287","","","0.0719","0.0738","","","","","","1.054","","","","has coordinates","272847","2022-02-07","23:42:55",""
"7244366","5.2395","0.0003","10.1581","0.0005","16.8889","0.0011","90","","95.568","0.005","90","","894.64","0.09","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F4 N0.5 O8 Zn -","- C14 H18 F4 N2 O8 Zn -","- C28 H36 F8 N4 O16 Zn2 -","2","0.5","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.0468","0.0359","","","0.0854","0.0899","","","","","","1.047","","","","has coordinates","272847","2022-02-07","23:42:58",""
"7244367","13.8857","0.0007","4.7775","0.0001","25.5982","0.0008","90","","100.241","0.004","90","","1671.1","0.11","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H2.88 F5.12 O8 Zn2 -","- C16 H2.884 F5.116 O8 Zn2 -","- C64 H11.536 F20.464 O32 Zn8 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.054","0.0453","","","0.1194","0.124","","","","","","1.101","","","","has coordinates,has disorder","272847","2022-02-07","23:42:58",""
"7244368","11.8442","0.0007","12.6156","0.0008","15.127","0.001","100.928","0.001","111.907","0.001","99.186","0.001","1992.1","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0983","0.0645","","","0.1658","0.1883","","","","","","1.027","","","","has coordinates","272848","2022-02-07","23:43:51",""
"7244369","11.4528","0.0017","11.5586","0.0016","14.2713","0.0019","77.001","0.003","89.888","0.003","78.24","0.003","1800.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0496","","","0.0952","0.1091","","","","","","0.95","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244370","12.4696","0.0014","13.3599","0.0014","20.487","0.002","86.843","0.002","73.656","0.002","85.335","0.002","3262.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Co N8 O44 Si W12 -","- C26 H26 Co N8 O44 Si W12 -","- C52 H52 Co2 N16 O88 Si2 W24 -","2","1","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","","0.71073","MoKα","","0.0714","0.0413","","","0.0797","0.0882","","","","","","0.969","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244371","10.5639","0.0001","21.9239","0.0002","10.4796","0.0001","90","","111.989","0.001","90","","2250.54","0.04","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C104 H128 O16 -","4","1","","Zhao, Quan-Qing; Rehbein, Julia; Reiser, Oliver","Thermoneutral synthesis of spiro-1,4-cyclohexadienes by visible-light-driven dearomatization of benzylmalonates","Green Chemistry","2022","24","7","2772","2776","10.1039/D1GC04686A","","x-ray","1.54184","CuKα","","0.0452","0.0403","","","0.1024","0.1059","","","","","","1.039","","","","has coordinates,has disorder","274998","2022-05-05","20:38:53",""
"7244372","7.7796","0.0005","13.1314","0.0011","24.231","0.002","90","","90","","90","","2475.4","0.3","150","2","150.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 B N2 O3.5 -","- C29 H26 B N2 O3.5 -","- C116 H104 B4 N8 O14 -","4","1","","Zhang, Xuebo; Xu, Jing; Sun, Zhaofeng; Bian, Guangling; Song, Ling","NMR analysis of the enantiomeric purity of chiral diols by a new chiral boron agent","RSC Advances","2022","12","8","4692","4696","10.1039/D2RA00428C","","","0.71073","MoKα","","0.0499","0.0451","","","0.1076","0.1108","","","","","","1.081","","","","has coordinates","272865","2022-02-09","02:07:43",""
"7244373","15.8603","0.0015","3.7729","0.0004","22.243","0.002","90","","102.306","0.01","90","","1300.4","0.2","149.4","0.4","149.4","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[4]heliceneCOOH","","- C19 H12 O2 -","- C19 H12 O2 -","- C76 H48 O8 -","4","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1104","0.0976","","","0.2849","0.2961","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7244374","12.7324","0.0014","12.7345","0.0013","16.3097","0.0011","81.224","0.007","78.147","0.007","64.043","0.01","2321.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","exp_1587","","- C38 H27.62 Cl2.01 O4.31 S18 -","- C38 H27.624 Cl2.01 O4.317 S18.005 -","- C76 H55.248 Cl4.02 O8.634 S36.01 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.107","0.0861","","","0.2312","0.2488","","","","","","1.056","","","","has coordinates,has disorder","272893","2022-02-09","23:42:47",""
"7244375","12.5199","0.0009","21.0758","0.0015","19.3165","0.001","90","","102.089","0.006","90","","4984","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","([4]heliceneSO3)2(TMTTF)2","","- C56 H46 O6 S10 -","- C56 H46 O6 S10 -","- C224 H184 O24 S40 -","4","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1446","0.0952","","","0.2419","0.2851","","","","","","1.066","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244376","14.0945","0.0002","12.8981","0.0002","20.6753","0.0003","90","","90","","90","","3758.61","0.1","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TMTTF-([4]heliceneCOO)2","","- C48 H34 O4 S4 -","- C48 H34 O4 S4 -","- C192 H136 O16 S16 -","4","0.5","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0452","0.0424","","","0.1186","0.1217","","","","","","1.056","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244377","11.9706","0.0005","17.1872","0.0007","35.0341","0.0007","85.381","0.002","82.114","0.003","76.022","0.004","6919.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(TMTSeF)5([4]heliceneSO3)5","","- C145 H124.04 N2.5 O18.26 S5.71 Se20 -","- C145 H124.041 N2.5 O18.2626 S5.712 Se20 -","- C290 H248.082 N5 O36.5252 S11.424 Se40 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0767","0.0634","","","0.1661","0.1782","","","","","","1.067","","","","has coordinates,has disorder","272893","2022-02-09","23:42:48",""
"7244378","15.3547","0.0005","15.3547","0.0005","10.0767","0.0005","90","","90","","120","","2057.46","0.14","296.15","","296.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","","0.71073","MoKα","","0.0408","0.0378","","","0.107","0.1095","","","","","","1.0258","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7244379","15.5366","0.0007","15.5366","0.0007","10.1335","0.0007","90","","90","","120","","2118.4","0.2","363.15","","363.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","x-ray","0.71073","MoKα","","0.0666","0.0579","","","0.1613","0.1707","","","","","","1.0036","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7244380","7.663","0.002","10.481","0.003","10.845","0.003","95.43","0.03","93.93","0.03","104.74","0.04","834.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Br N3 O5 W -","- C15 H14 Br N3 O5 W -","- C30 H28 Br2 N6 O10 W2 -","2","1","","Heydari, Neda; Bikas, Rahman; Shaterian, Maryam; Lis, Tadeusz","Green solvent free epoxidation of olefins by a heterogenised hydrazone-dioxidotungsten(vi) coordination compound","RSC Advances","2022","12","8","4813","4827","10.1039/D1RA09217K","","","0.71073","MoKα","","0.0455","0.0439","","","0.1216","0.1242","","","","","","1.089","","","","has coordinates","272898","2022-02-10","02:14:58",""
"7244381","10.1132","0.0013","5.7769","0.0007","20.392","0.003","90","","90","","90","","1191.4","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Liu, Xiao-Dong; Wang, Qiu-An; Zhu, Yan-Ping; Peng, Zhi-Hong; Li, Jin-Heng","Copper-catalyzed aerobic hydroxyamination of alkenes of unsaturated keto oximes in EtOH toward cyclic nitrones","Green Chemistry","2022","24","6","2476","2482","10.1039/D2GC00017B","","","0.71073","MoKα","","0.0321","0.0284","","","0.0738","0.0772","","","","","","1.04","","","","has coordinates","274989","2022-05-05","20:37:24",""
"7244382","12.0038","0.0006","12.5724","0.0006","8.96","0.0004","90","","100.273","0.002","90","","1330.54","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","","Li, Jianxiao; He, Dan; Lin, Zidong; Cen, Liying; Wu, Wanqing; Jiang, Huanfeng","NHC–palladium-catalyzed ionic liquid-accelerated regioselective oxyarylation of alkynes with diaryl ethers","Green Chemistry","2022","24","5","1983","1988","10.1039/D1GC04556C","","","0.71073","MoKα","","0.0601","0.0399","","","0.0875","0.1011","","","","","","1.065","","","","has coordinates","274988","2022-05-05","20:37:13",""
"7244383","12.7847","0.0002","19.6339","0.0003","14.688","0.0002","90","","91.112","0.001","90","","3686.19","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 N O P2 Ru -","- C46 H39 N O P2 Ru -","- C184 H156 N4 O4 P8 Ru4 -","4","1","","Kar, Sayan; Luo, Jie; Rauch, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Dehydrogenative ester synthesis from enol ethers and water with a ruthenium complex catalyzing two reactions in synergy","Green Chemistry","2022","24","4","1481","1487","10.1039/D1GC04574A","","x-ray","0.71073","MoKα","","0.0414","0.0322","","","0.0742","0.0775","","","","","","1.053","","","","has coordinates","273376","2022-03-04","22:16:47",""
"7244384","10.2212","0.0008","11.0914","0.001","22.1617","0.0019","91.217","0.007","91.74","0.006","116.345","0.006","2248.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Co3 Dy N3 O27 -","- C41 H40 Co3 Dy N3 O27 -","- C82 H80 Co6 Dy2 N6 O54 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.1414","0.0873","","","0.2074","0.2413","","","","","","1.043","","","","has coordinates","272914","2022-02-11","02:12:21",""
"7244385","10.1882","0.0012","10.2651","0.0013","23.231","0.003","86.37","0.008","84.284","0.008","65.297","0.008","2195.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Co3 Gd N3 O25 -","- C40 H34 Co3 Gd N3 O25 -","- C80 H68 Co6 Gd2 N6 O50 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.0936","0.059","","","0.1432","0.1602","","","","","","1.134","","","","has coordinates","272914","2022-02-11","02:12:32",""
"7244386","14.0045","0.0005","15.7554","0.0005","41.1854","0.0016","90","","96.063","0.002","90","","9036.6","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H36 Cl Co3 N2 O23.5 Tb -","- C39.5 H33 Cl Co3 N2 O22 Tb -","- C316 H264 Cl8 Co24 N16 O176 Tb8 -","8","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.0924","0.0546","","","0.1292","0.1479","","","","","","1.029","","","","has coordinates,has disorder","272914","2022-02-11","02:12:35",""
"7244387","10.2888","0.0008","15.4555","0.0013","16.0338","0.0014","93.324","0.007","108.261","0.008","90.444","0.006","2416.3","0.4","102","","102","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Co3 La N3 O29.5 -","- C36 H32 Co3 La N3 O28 -","- C72 H64 Co6 La2 N6 O56 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.1199","0.0804","","","0.2016","0.2236","","","","","","1.036","","","","has coordinates,has disorder","272914","2022-02-11","02:12:47",""
"7244388","8.4778","0.0002","13.3551","0.0002","13.9955","0.0003","107.983","0.002","95.125","0.002","96.949","0.001","1482.59","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Br0.8 Cl0.2 N4 O7 Re -","- C34 H20 Br0.796 Cl0.204 N4 O7 Re -","- C68 H40 Br1.592 Cl0.408 N8 O14 Re2 -","2","1","","Spear, Alyssa; Schuarca, Robson L.; Bond, Jesse Q.; Korter, Timothy M.; Zubieta, Jon; Doyle, Robert P.","Photocatalytic turnover of CO2 under visible light by [Re(CO)3(1-(1,10) phenanthroline-5-(4-nitro-naphthalimide))Cl] in tandem with the sacrificial donor BIH","RSC Advances","2022","12","9","5080","5084","10.1039/D1RA08261B","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.1235","0.1249","","","","","","1.118","","","","has coordinates,has disorder","272915","2022-02-11","02:13:49",""
"7244389","8.3911","0.0004","9.9264","0.0004","10.7162","0.0005","63.792","0.001","74.028","0.001","73.325","0.001","755.62","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O12 Zn2 -","- C30 H24 N4 O12 Zn2 -","- C30 H24 N4 O12 Zn2 -","1","0.5","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0349","0.0288","","","0.0697","0.0728","","","","","","1.035","","","","has coordinates,has disorder","272916","2022-02-11","02:15:58",""
"7244390","13.5158","0.0007","12.8924","0.0006","13.8937","0.0007","90","","91.106","0.001","90","","2420.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O12 Zn2 -","- C20 H12 O12 Zn2 -","- C80 H48 O48 Zn8 -","4","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0438","0.0326","","","0.0833","0.0909","","","","","","1.044","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244391","9.622","0.003","10.595","0.003","11.815","0.003","78.455","0.005","76.399","0.005","65.951","0.005","1061.7","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O6 Zn -","- C24 H18 N2 O6 Zn -","- C48 H36 N4 O12 Zn2 -","2","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0511","0.0365","","","0.0823","0.0881","","","","","","1.0036","","","","has coordinates","272916","2022-02-11","02:15:59",""
"7244392","14.561","0.004","9.318","0.002","25.811","0.006","90","","99.571","0.015","90","","3453.3","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C144 H144 N16 O32 Zn8 -","8","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0618","0.0467","","","0.1119","0.1199","","","","","","1.0458","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244393","10.7554","0.0003","11.1284","0.0003","12.4298","0.0003","98.575","0.002","107.587","0.002","105.477","0.002","1323.34","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cu N2 O10 -","- C29 H24 Cu N2 O10 -","- C58 H48 Cu2 N4 O20 -","2","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0903","0.0587","","","0.1177","0.1336","","","","","","1.0591","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244394","7.2811","0.0008","8.34","0.0009","9.858","0.0011","68.729","0.005","68.636","0.005","70.01","0.005","504.11","0.1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","1","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0587","0.0458","","","0.0968","0.1037","","","","","","1.045","","","","has coordinates,has disorder","272937","2022-02-11","23:35:54",""
"7244395","19.073","0.0013","9.8051","0.0006","12.6998","0.0008","90","","94.61","0.002","90","","2367.3","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cd Cu2 N2 O14 -","- C20 H20 Cd Cu2 N2 O14 -","- C80 H80 Cd4 Cu8 N8 O56 -","4","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0358","0.0289","","","0.0723","0.0775","","","","","","1.053","","","","has coordinates","272937","2022-02-11","23:35:54",""
"7244396","10.1975","0.0003","10.1011","0.0003","11.0443","0.0003","90","","98.516","0.001","90","","1125.09","0.06","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H18 N6 O4 Zn -","- C27 H18 N6 O4 Zn -","- C54 H36 N12 O8 Zn2 -","2","0.5","","Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Peng, Yan; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","Stable bifunctional ZnII-based sensor toward acetylacetone and l-histidine via a fluorescence red shift and turn-on effect","CrystEngComm","2022","","","","","10.1039/D2CE00026A","","","0.71073","MoKα","","0.0316","0.0262","","","0.0741","0.0789","","","","","","1.056","","","","has coordinates,has disorder","272938","2022-02-11","23:36:18",""
"7244397","13.0905","0.0003","7.4207","0.0002","25.4832","0.0006","90","","99.499","0.001","90","","2441.51","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0405","0.0291","","","0.0664","0.0715","","","","","","1.022","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244398","13.134","0.0006","14.9016","0.0006","14.5799","0.0007","90","","96.515","0.003","90","","2835.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","1.54178","CuKα","","0.0806","0.055","","","0.1289","0.1437","","","","","","1.042","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244399","13.0807","0.0007","7.4178","0.0003","25.4738","0.0013","90","","99.502","0.002","90","","2437.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0323","0.0263","","","0.0654","0.069","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244400","13.1387","0.001","14.9262","0.001","14.6051","0.0011","90","","96.62","0.002","90","","2845.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0934","0.0409","","","0.0811","0.1011","","","","","","1.009","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244401","13.0941","0.0008","7.422","0.0004","25.495","0.0017","90","","99.487","0.002","90","","2443.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0604","0.0341","","","0.0671","0.078","","","","","","1.037","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244402","13.118","0.003","14.899","0.002","14.576","0.003","90","","96.581","0.009","90","","2830","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1968","0.0635","","","0.0834","0.12","","","","","","0.992","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244403","10.4119","0.0004","22.7476","0.0009","13.0866","0.0005","90","","98.274","0.001","90","","3067.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0666","0.038","","","0.0809","0.0934","","","","","","1.039","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244404","13.0845","0.0008","7.4155","0.0004","25.4585","0.0016","90","","99.476","0.002","90","","2436.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0688","0.037","","","0.0707","0.0811","","","","","","1.007","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244406","10.4162","0.0002","22.7272","0.0005","13.1011","0.0003","90","","98.322","0.001","90","","3068.78","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0615","0.037","","","0.0814","0.095","","","","","","1.033","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244408","10.4146","0.0007","22.7238","0.0013","13.0926","0.0009","90","","98.34","0.002","90","","3065.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.101","0.0431","","","0.0819","0.1028","","","","","","1.026","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244409","12.5724","0.0006","20.9451","0.001","14.521","0.0008","90","","115.589","0.002","90","","3448.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C36.71 H23.76 B Cl6.3 N6 O -","- C36.705 H23.755 B Cl6.295 N6 O -","- C146.82 H95.02 B4 Cl25.18 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1119","0.0506","","","0.1209","0.1607","","","","","","1.068","","","","has coordinates,has disorder","274972","2022-05-05","20:31:07",""
"7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244411","10.4152","0.0003","22.7421","0.0007","13.1005","0.0004","90","","98.286","0.001","90","","3070.64","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0504","0.0327","","","0.0745","0.0829","","","","","","1.024","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244413","8.4159","0.0011","12.6978","0.0017","13.8293","0.0017","105.309","0.004","107.316","0.004","101.13","0.004","1300.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 F N4 O5 -","- C25 H33 F N4 O5 -","- C50 H66 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.1033","0.066","","","0.1656","0.1846","","","","","","1.058","","","","has coordinates,has disorder","272954","2022-02-14","23:37:53",""
"7244414","9.3821","0.0004","10.9262","0.0005","13.5535","0.0006","80.9238","0.0017","79.5855","0.0017","73.4672","0.0018","1301.64","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 F N4 O5 -","- C27 H35 F N4 O5 -","- C54 H70 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.0743","0.0516","","","0.1239","0.1324","","","","","","1.04","","","","has coordinates","272954","2022-02-14","23:37:54",""
"7244415","13.7075","0.0008","21.2787","0.0013","9.1536","0.0006","90","","95.127","0.001","90","","2659.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","dichloridobis(<i>N</i>-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide)cadmium(II)","","- C24 H28 Cd Cl2 N8 O2 -","- C24 H28 Cd Cl2 N8 O2 -","- C96 H112 Cd4 Cl8 N32 O8 -","4","1","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.0246","0.0228","","","0.0525","0.0529","","","","","","1.029","","","","has coordinates","272959","2022-02-15","02:14:21",""
"7244416","8.392","0.003","11.42","0.004","15.823","0.006","78.679","0.004","86.124","0.004","80.487","0.004","1465.5","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(3-(5-methyl-1 <i>H</i>-pyrazol-3-yl)quinoxalin- 2(1<i>H</i>)-one)iron(II) nitrate dihydrate","","- C24 H28 Fe N10 O12 -","- C24 H28 Fe N10 O12 -","- C48 H56 Fe2 N20 O24 -","2","1","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.1193","0.0687","","","0.1861","0.2151","","","","","","0.997","","","","has coordinates,has disorder","272959","2022-02-15","02:15:06",""
"7244417","9.0258","0.0005","10.0091","0.0006","11.2402","0.0006","74.769","0.001","66.668","0.001","80.782","0.001","897.84","0.09","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","bis(ethanol)bis(N-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol- 3-yl)acetamide)copper(II) nitrate","","- C28 H40 Cu N10 O10 -","- C28 H40 Cu N10 O10 -","- C28 H40 Cu N10 O10 -","1","0.5","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.0592","0.0447","","","0.123","0.1294","","","","","","1.035","","","","has coordinates,has disorder","272959","2022-02-15","02:15:24",""
"7244418","4.2682","0.0002","18.1897","0.001","19.6942","0.0012","90","","90","","90","","1529","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,13-DiBromo-dibenzo[a,c]phenazine","10,13-DiBromo-dibenzo[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0956","0.0407","","","0.0693","0.0847","","","","","","0.924","","","","has coordinates","272991","2022-02-16","23:34:08",""
"7244419","23.9534","0.0017","13.3698","0.0009","7.2037","0.0005","90","","93.922","0.003","90","","2301.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C13 H5 F7 N -","- C13 H5 F7 N -","- C104 H40 F56 N8 -","8","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0958","0.0533","","","0.1309","0.1581","","","","","","1.02","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244420","16.0011","0.0017","5.2318","0.0005","27.377","0.003","90","","101.533","0.004","90","","2245.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ParaC3F7dibenzphenazine","10,13-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C104 H40 F56 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0702","0.0483","","","0.1112","0.1221","","","","","","1.135","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244421","6.728","0.003","9.172","0.005","10.765","0.006","106.416","0.014","91.946","0.013","91.011","0.01","636.6","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-(methylthio)benzoate","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C30 H22 N2 O4 S2 -","2","1","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","","0.71075","MoKα","","0.0551","0.0515","","","0.1247","0.1275","","","","","","1.202","","","","has coordinates","274971","2022-05-05","20:29:55",""
"7244422","22.6272","0.0012","5.4014","0.0003","7.6641","0.0004","90","","95.178","0.005","90","","932.87","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylene bis(4-(methylthio)benzoate)","","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","1","0.25","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0344","0.0314","","","0.0817","0.0835","","","","","","1.065","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244424","21.1362","0.0006","11.2833","0.0002","38.192","0.002","90","","104.463","0.004","90","","8819.6","0.6","297","2","297","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","1","0.125","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","x-ray","1.54184","CuKα","","0.1247","0.1106","","","0.2839","0.2952","","","","","","1.063","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244425","17.0171","0.0003","9.2223","0.0001","13.3042","0.0002","90","","96.124","0.002","90","","2076","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl2 Cu N2 S -","- C21 H22 Cl2 Cu N2 S -","- C84 H88 Cl8 Cu4 N8 S4 -","4","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","x-ray","1.54184","CuKα","","0.0423","0.0406","","","0.1082","0.1098","","","","","","1.042","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244426","8.7543","0.0002","8.91433","0.00017","14.2328","0.0006","92.973","0.003","97.234","0.003","113.73","0.002","1002.26","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Cu N2 S -","- C21 H20 Cl2 Cu N2 S -","- C42 H40 Cl4 Cu2 N4 S2 -","2","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0873","0.0853","","","0.2628","0.2633","","","","","","1.194","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244427","19.10688","0.00011","9.75754","0.00006","26.37158","0.00016","90","","90","","90","","4916.62","0.05","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl5 Cu N2 S -","- C22 H23 Cl5 Cu N2 S -","- C176 H184 Cl40 Cu8 N16 S8 -","8","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0539","0.0513","","","0.0988","0.1001","","","","","","1.098","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244428","15.4634","0.0001","16.5496","0.0001","18.8584","0.0001","90","","111.195","0.001","90","","4499.65","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl2 Cu N4 O9 S2 -","- C43 H48 Cl2 Cu N4 O9 S2 -","- C172 H192 Cl8 Cu4 N16 O36 S8 -","4","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0765","0.0736","","","0.2109","0.2138","","","","","","1.083","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244429","7.9695","0.0016","8.2413","0.0016","16.8","0.003","83.69","0.03","88.28","0.03","77.67","0.03","1071.4","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O5 S -","- C19 H19 Cl2 N3 O5 S -","- C38 H38 Cl4 N6 O10 S2 -","2","1","","Yang, Dongyan; Qi, Xin; Zhou, Xinhua; Li, Zhengming; Zhou, Hongjun; Fan, Zhijin","Synthesis of potent antifungal 3,4-dichloroisothiazole-based strobilurins with both direct fungicidal activity and systemic acquired resistance","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00402F","","","0.71073","MoKα","","0.0765","0.0553","","","0.1497","0.1676","","","","","","1.04","","","","has coordinates","272999","2022-02-17","00:59:55",""
"7244430","8.6714","0.0017","10.866","0.002","11.901","0.002","85.84","0.03","79.04","0.03","71.6","0.03","1044.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O5 S -","- C19 H19 Cl2 N3 O5 S -","- C38 H38 Cl4 N6 O10 S2 -","2","1","","Yang, Dongyan; Qi, Xin; Zhou, Xinhua; Li, Zhengming; Zhou, Hongjun; Fan, Zhijin","Synthesis of potent antifungal 3,4-dichloroisothiazole-based strobilurins with both direct fungicidal activity and systemic acquired resistance","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00402F","","","0.71073","MoKα","","0.0684","0.0537","","","0.1332","0.1399","","","","","","1.046","","","","has coordinates","272999","2022-02-17","00:59:56",""
"7244431","11.1185","0.0002","21.3172","0.0004","12.1038","0.0002","90","","90.513","0.001","90","","2868.67","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 Cl2 N4 O13 S -","- C18 H44 Cl2 N4 O13 S -","- C72 H176 Cl8 N16 O52 S4 -","4","1","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","1.54184","CuKα","","0.059","0.0447","","","0.1258","0.131","","","","","","0.997","","","","has coordinates,has disorder","273001","2022-02-17","02:19:42",""
"7244432","17.0714","0.0002","6.5183","0.0001","19.804","0.0002","90","","101.613","0.001","90","","2158.61","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 N8 Na2 O24 Sb2 -","- C32 H64 N8 Na2 O24 Sb2 -","- C64 H128 N16 Na4 O48 Sb4 -","2","0.5","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0222","0.0192","","","0.0496","0.051","","","","","","1.116","","","","has coordinates","273001","2022-02-17","02:19:42",""
"7244433","17.1003","0.0002","6.5597","0.0001","19.8702","0.0003","90","","101.62","0.001","90","","2183.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 Bi2 N8 Na2 O24 -","- C32 H64 Bi2 N8 Na2 O24 -","- C64 H128 Bi4 N16 Na4 O48 -","2","0.5","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0169","0.0139","","","0.0272","0.028","","","","","","1.065","","","","has coordinates","273001","2022-02-17","02:19:43",""
"7244434","12.1325","0.0001","12.1325","0.0001","6.5653","0.0001","90","","90","","90","","966.396","0.019","100","0.1","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H29 Bi N4 O10 -","- C16 H29 Bi N4 O10 -","- C32 H58 Bi2 N8 O20 -","2","0.25","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0116","0.0109","","","0.0233","0.0235","","","","","","1.116","","","","has coordinates,has disorder","273001","2022-02-17","02:19:43",""
"7244435","21.169","0.006","21.169","0.006","9.021","0.003","90","","90","","90","","4043","2","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C36 H32 N6 O8 Zn3 -","- C36 H32 N6 O8 Zn3 -","- C144 H128 N24 O32 Zn12 -","4","0.5","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.07","0.0658","","","0.1629","0.1657","","","","","","1.13","","","","has coordinates","273012","2022-02-17","23:36:58",""
"7244436","10.342","0.0017","10.0637","0.0016","12.093","0.002","90","","109.291","0.003","90","","1188","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 Zn -","- C12 H8 N6 Zn -","- C48 H32 N24 Zn4 -","4","1","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.0904","0.0425","","","0.0685","0.0846","","","","","","1.007","","","","has coordinates","273012","2022-02-17","23:36:59",""
"7244437","9.9844","0.0003","11.0973","0.0002","12.3341","0.0003","98.816","0.002","106.224","0.002","101.344","0.0019","1254.7","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0445","0.0278","","","0.059","0.0658","","","","","","1.0278","","","","has coordinates","274974","2022-05-05","20:32:27",""
"7244438","9.688","0.002","10.331","0.002","12.372","0.003","97.57","0.02","104.512","0.019","102.93","0.02","1145","0.5","298","","298","","992","","992","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1126","0.0994","","","0.2185","0.2264","","","","","","1.131","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244439","9.645","0.005","10.125","0.006","12.395","0.006","96.68","0.05","104.09","0.05","104.23","0.05","1117.8","1.1","298","","298","","1590","","1590","","","","","5","P -1","-P 1","2","","","","- C24 H8 Au2 Cu N8 -","- C24 H15 Au2 Cu N8 -","- C48 H30 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2352","0.1856","","","0.3703","0.4134","","","","","","1.169","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244441","9.916","0.002","10.95","0.003","12.278","0.002","98.765","0.019","105.877","0.017","101.38","0.02","1226.6","0.5","298","","298","","100","","100","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1023","0.0874","","","0.1978","0.2056","","","","","","1.127","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244442","9.64","0.006","10.225","0.007","12.417","0.008","97.79","0.07","103.42","0.06","104.21","0.07","1129.8","1.4","298","","298","","1340","","1340","","","","","5","P -1","-P 1","2","","","","- C24 H17 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2059","0.1601","","","0.3583","0.3884","","","","","","1.033","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244443","20.838","0.0015","13.0922","0.0005","16.616","0.001","90","","103.178","0.007","90","","4413.7","0.5","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Au2 Cu F6 N10 O S -","- C44 H30 Au2 Cu F6 N10 O S -","- C176 H120 Au8 Cu4 F24 N40 O4 S4 -","4","0.5","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.066","0.0376","","","0.0671","0.0769","","","","","","1.028","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244444","9.9689","0.0003","11.1085","0.0004","12.3564","0.0004","98.799","0.003","106.251","0.003","101.677","0.003","1254.1","0.08","343","5","343","5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0619","0.0364","","","0.0654","0.0733","","","","","","1.035","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244445","9.9382","0.0003","10.9997","0.0003","12.2677","0.0003","99.233","0.002","106.193","0.002","100.783","0.002","1232.57","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0514","0.0454","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244446","9.953","0.0003","11.0325","0.0003","12.3018","0.0004","99.041","0.002","106.26","0.003","100.966","0.002","1240.98","0.07","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0422","0.0356","","","0.0864","0.0904","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244448","11.1876","0.0007","11.8612","0.0008","12.4954","0.0007","98.846","0.005","101.818","0.005","97.377","0.005","1581.6","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 Cu N8 O3 -","- C28 H30 Au2 Cu N8 O3 -","- C56 H60 Au4 Cu2 N16 O6 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0737","0.0427","","","0.0531","0.0624","","","","","","0.982","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244450","15.2706","0.001","14.29","0.0006","12.7118","0.001","90","","114.476","0.009","90","","2524.6","0.3","298","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au2 Cu N8 O -","- C24 H18 Au2 Cu N8 O -","- C96 H72 Au8 Cu4 N32 O4 -","4","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0673","0.036","","","0.0551","0.0639","","","","","","0.994","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244451","11.7397","0.0011","12.2661","0.0014","13.3343","0.0017","87.894","0.01","75.657","0.009","64.038","0.01","1666.9","0.4","295","5","295","5","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Au2 Cu2 N11 -","- C32 H21 Au2 Cu2 N11 -","- C64 H42 Au4 Cu4 N22 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0992","0.0539","","","0.1329","0.1903","","","","","","1.025","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244452","8.1299","0.0009","16.3935","0.0015","16.5034","0.0013","90","","95.897","0.009","90","","2187.9","0.4","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2MeS-3EDOT","5,5''-dimethylthio-2,2':5',2''-ter(3,4-ethylenedioxythiophene)","","- C20 H18 O6 S5 -","- C20 H18 O6 S5 -","- C80 H72 O24 S20 -","4","0.5","","Kameyama, Ryohei; Fujino, Tomoko; Dekura, Shun; Mori, Hatsumi","Conjugation Length Effect on the Conducting Behavior of Single-crystalline Oligo(3,4-ethylenedioxythiophene) (nEDOT) Radical Cation Salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00250G","","x-ray","0.71073","MoKα","","0.1103","0.0887","","","0.246","0.2723","","","","","","1.124","","","","has coordinates,has disorder","273039","2022-02-19","01:50:23",""
"7244453","13.4985","0.0013","29.366","0.002","7.0331","0.0006","90","","102.4","0.009","90","","2722.9","0.4","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","5,5''-dimethylthio-2,2':5',2''-ter(3,4-ethylenedioxythiophene) radical cation hexafluoro-phosphate dichloromethane solvate","2MeS-3EDOT_PF6_CH2Cl2","","- C20 H18 F6 O6 P S5 -","- C20 H18 F6 O6 P S5 -","- C80 H72 F24 O24 P4 S20 -","4","0.5","","Kameyama, Ryohei; Fujino, Tomoko; Dekura, Shun; Mori, Hatsumi","Conjugation Length Effect on the Conducting Behavior of Single-crystalline Oligo(3,4-ethylenedioxythiophene) (nEDOT) Radical Cation Salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00250G","","x-ray","0.71073","MoKα","","0.1105","0.0568","","","0.1354","0.1602","","","","","","1.041","","","","has coordinates,has disorder","273039","2022-02-19","01:50:24",""
"7244454","32.9136","0.0015","32.9136","0.0015","9.2886","0.0005","90","","90","","120","","8714.3","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 N6 Zn -","- C44 H30 N6 Zn -","- C396 H270 N54 Zn9 -","9","0.5","","Kim, Hyun-Chul; Yoon, Jongho; Yoon, Sukbin; Kim, Youngmee; Lee, Suk Joong; Huh, Seong","N-doped porous carbons derived from Zn-porphyrin-MOF","RSC Advances","2022","12","10","5979","5989","10.1039/D2RA00327A","","","1.54178","CuKα","","0.0489","0.0343","","","0.0759","0.082","","","","","","1.039","","","","has coordinates","273040","2022-02-19","02:15:01",""
"7244455","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Mandal, Arkalekha","Tuning p-type to n-type semiconductor nature by charge transfer cocrystallization: effect of transfer integral vs. reorganization energy","CrystEngComm","2022","","","","","10.1039/D2CE00006G","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","273071","2022-02-21","23:33:36",""
"7244456","10.5277","0.0004","30.222","0.001","26.182","0.001","90","","100.361","0.004","90","","8194.4","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cu3 N10 O39 P6 -","- C66 H46 Cu3 N10 O39 P6 -","- C264 H184 Cu12 N40 O156 P24 -","4","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","0.71073","MoKα","","0.1188","0.0844","","","0.1999","0.2205","","","","","","1.098","","","","has coordinates","273072","2022-02-21","23:34:21",""
"7244457","14.6359","0.0005","14.6677","0.0005","15.1995","0.0008","63.897","0.004","64.765","0.004","65.067","0.004","2538.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cu2 N6 O26.5 P3 -","- C36 H34 Cu2 N6 O26.5 P3 -","- C72 H68 Cu4 N12 O53 P6 -","2","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","1.54184","CuKα","","0.1113","0.0799","","","0.2054","0.2659","","","","","","1.035","","","","has coordinates","273072","2022-02-21","23:34:22",""
"7244458","7.2514","0.0002","7.4533","0.0003","12.9171","0.0004","78.29","0.002","81.497","0.003","71.575","0.002","645.92","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]tetrasilver(I)] dihydrate]]","","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.03","0.0232","","","0.053","0.0559","","","","","","1.04","","","","has coordinates","273073","2022-02-21","23:35:26",""
"7244459","11.8427","0.001","16.4538","0.001","9.059","0.0008","90","","92.905","0.007","90","","1762.9","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]-bis(Nitrato)]-aqua- tetrasilver(I)] aquadioxouranium(VI) Trihydrate]","","- C16 H26 Ag4 N14 O21 U -","- C16 H26 Ag4 N14 O21 U -","- C32 H52 Ag8 N28 O42 U2 -","2","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0291","0.0258","","","0.0658","0.0668","","","","","","0.988","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244460","7.2551","0.0006","7.517","0.0007","15.0801","0.0013","97.061","0.01","98.041","0.01","109.612","0.009","754.26","0.13","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis[2-(1,2,4-triazol-4-yl)acetato)]-bis[2-(1,2,4-triazol-4-yl)acetic acid)]tetrasilver(I)] dinitrate dihydrate]]","","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0323","0.0238","","","0.0554","0.0569","","","","","","0.91","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244461","9.5892","0.001","15.8614","0.0012","22.064","0.002","90","","94.822","0.008","90","","3344","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[decakis[2-(1,2,4-triazol-4-yl)acetato)]-hexasilver(I)] bis- [dioxouranium(VI)] Heptahydrate]","","- C40 H54 Ag6 N30 O31 U2 -","- C40 H40 Ag6 N30 O31 U2 -","- C80 H80 Ag12 N60 O62 U4 -","2","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.1012","0.0472","","","0.0741","0.0849","","","","","","0.863","","","","has coordinates","273073","2022-02-21","23:35:30",""
"7244462","8.65259","0.00019","9.7551","0.0002","10.0315","0.0003","82.229","0.002","85.282","0.002","79.1919","0.0019","822.66","0.04","297","0.1","297","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br N2 O -","- C8 H5 Br N2 O -","- C32 H20 Br4 N8 O4 -","4","2","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0333","0.0301","","","0.0786","0.0807","","","","","","1.071","","","","has coordinates","273077","2022-02-22","02:10:17",""
"7244463","3.9979","0.0002","15.5449","0.0011","15.9729","0.0008","90","","90.509","0.004","90","","992.63","0.1","297","0.1","297","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0607","0.0477","","","0.1276","0.1349","","","","","","1.063","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244464","13.7218","0.0016","18.26","0.002","3.958","0.0007","90","","90","","90","","991.7","0.2","297","0.1","297","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0894","0.0704","","","0.1981","0.2219","","","","","","1.122","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244465","7.0053","0.0003","8.4517","0.0003","11.6853","0.0006","86.836","0.003","77.121","0.004","71.464","0.004","639.36","0.05","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C30 H20 N4 O2 S2 -","2","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0417","0.0389","","","0.1062","0.1089","","","","","","1.062","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244466","14.7562","0.0004","4.7321","0.0001","16.9571","0.0004","90","","101.469","0.002","90","","1160.43","0.05","297","0.1","297","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 I N2 O3 -","- C10 H9 I N2 O3 -","- C40 H36 I4 N8 O12 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0316","0.0288","","","0.0742","0.0761","","","","","","1.051","","","","has coordinates","273077","2022-02-22","02:10:19",""
"7244467","20.0082","0.0004","9.9146","0.0002","11.4233","0.0002","90","","98.317","0.002","90","","2242.25","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10.33 N2 O5.17 -","- C11 H10.3333 N2 O5.16665 -","- C88 H82.6664 N16 O41.3332 -","8","1","","Al-Majid, Abdullah Mohammed; Alammari, Abdullah Saleh; Alshahrani, Saeed; Haukka, Matti; Islam, Mohammad Shahidul; Barakat, Assem","Cu(ii)-thiophene-2,5-bis(amino-alcohol) mediated asymmetric Aldol reaction and Domino Knoevenagel Michael cyclization: a new highly efficient Lewis acid catalyst","RSC Advances","2022","12","10","6149","6165","10.1039/D2RA00674J","","","1.54184","CuKα","","0.0431","0.0398","","","0.1038","0.1077","","","","","","1.047","","","","has coordinates","273078","2022-02-22","02:11:07",""
"7244468","22.0708","0.0002","22.5278","0.0002","27.0547","0.0003","100.228","0.001","112.333","0.001","90.301","0.001","12205.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C466 H323.76 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","1","0.5","","Li, Yu-Guang; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Peng, Yan; Wen, He-Rui","Lanthanide-based metal-organic framework materials as bifunctional fluorescence sensors toward acetylacetone and aspartic acid","CrystEngComm","2022","","","","","10.1039/D2CE00174H","","","0.71073","MoKα","","0.085","0.0669","","","0.1937","0.2109","","","","","","1.131","","","","has coordinates,has disorder","273115","2022-02-22","23:36:25",""
"7244469","12.2051","0.0003","15.5772","0.0002","12.8295","0.0003","90","","116.732","0.003","90","","2178.46","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Li4 N2 O8 -","- C20 H22 Li4 N2 O8 -","- C80 H88 Li16 N8 O32 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","","1.54184","CuKα","","0.0498","0.0406","","","0.1119","0.1164","","","","","","1.05","","","","has coordinates","273116","2022-02-22","23:37:27",""
"7244470","10.9854","0.0004","15.4568","0.0005","12.8852","0.0005","90","","112.395","0.004","90","","2022.88","0.14","130","1","130","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C72 H88 Mg4 O40 -","4","0.5","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0497","0.04","","","0.1046","0.1118","","","","","","1.056","","","","has coordinates","273116","2022-02-22","23:37:28",""
"7244471","17.5458","0.0002","8.3002","0.0001","18.1756","0.0002","90","","102.014","0.001","90","","2589","0.05","256","1","256","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 Cu3 O12 -","- C22 H26 Cu3 O12 -","- C88 H104 Cu12 O48 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0468","0.0432","","","0.1191","0.1219","","","","","","1.069","","","","has coordinates,has disorder","273116","2022-02-22","23:37:28",""
"7244472","22.444","0.0002","8.0639","0.0001","27.9872","0.0003","90","","92.354","0.001","90","","5061.02","0.09","100","1","100","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H52 Cu6 O24 -","- C44 H52 Cu6 O24 -","- C176 H208 Cu24 O96 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0419","0.0394","","","0.1135","0.1156","","","","","","1.056","","","","has coordinates,has disorder","273116","2022-02-22","23:37:29",""
"7244473","15.9766","0.0002","16.842","0.0003","22.9222","0.0004","90","","90","","90","","6167.86","0.17","298","0.2","298","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N8 O6 Zn2 -","- C30 H28 N8 O6 Zn2 -","- C240 H224 N64 O48 Zn16 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.0847","0.0452","","","0.1168","0.1419","","","","","","1.031","","","","has coordinates","273117","2022-02-22","23:38:26",""
"7244474","32.3897","0.0008","10.8311","0.0004","18.4897","0.0007","90","","90.591","0.003","90","","6486.1","0.4","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O6 S2 Zn -","- C32 H30 N4 O6 S2 Zn -","- C256 H240 N32 O48 S16 Zn8 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.1039","0.0514","","","0.1372","0.1734","","","","","","1.012","","","","has coordinates","273117","2022-02-22","23:38:27",""
"7244475","7.6004","0.0003","14.1706","0.0005","20.2294","0.0008","90","","90","","90","","2178.75","0.14","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cu F N O4 -","- C10 H10 Cu F N O4 -","- C80 H80 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0425","0.0323","","","0.1197","0.1302","","","","","","1.016","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244476","7.7611","0.0012","14.453","0.002","20.556","0.003","90","","90","","90","","2305.8","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cu F N O4 -","- C11 H12 Cu F N O4 -","- C88 H96 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0509","0.032","","","0.0776","0.0852","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244477","17.218","0.013","6.78","0.005","17.448","0.01","90","","110.89","0.02","90","","1903","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cu2 F2 N2 O9 -","- C18 H18 Cu2 F2 N2 O9 -","- C72 H72 Cu8 F8 N8 O36 -","4","0.5","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0753","0.0545","","","0.1571","0.1765","","","","","","1.073","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244478","6.6777","0.0004","8.5198","0.0005","33.3475","0.0018","90","","90","","90","","1897.23","0.19","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cu2 F2 N2 O7 -","- C18 H14 Cu2 F2 N2 O7 -","- C72 H56 Cu8 F8 N8 O28 -","4","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0478","0.0379","","","0.0776","0.081","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244479","8.2976","0.0004","14.3385","0.0005","12.503","0.0004","90","","92.169","0.004","90","","1486.48","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PF-AgNO3","","- C13 H12 Ag N5 O5 -","- C13 H12 Ag N5 O5 -","- C52 H48 Ag4 N20 O20 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","x-ray","1.54184","CuKα","","0.0515","0.0441","","","0.1162","0.1242","","","","","","1.038","","","","has coordinates","273119","2022-02-22","23:40:32",""
"7244480","8.9525","0.0018","14.411","0.003","11.948","0.002","90","","93.5","0.03","90","","1538.6","0.5","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PF-AgBF4","","- C13 H12 Ag B F4 N4 O2 -","- C13 H12 Ag B F4 N4 O2 -","- C52 H48 Ag4 B4 F16 N16 O8 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","","0.71073","MoKα","","0.0718","0.0506","","","0.1211","0.1359","","","","","","1.048","","","","has coordinates","273119","2022-02-22","23:40:33",""
"7244481","13.5207","0.0004","11.759","0.0003","7.7352","0.0002","90","","97.6","0.002","90","","1219.02","0.06","229.99","0.1","229.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O6 -","- C14 H10 O6 -","- C56 H40 O24 -","4","1","","Gan, Shaoyan; Yin, Jingru; Yu, Zhiyou; Song, Lijuan; Shi, Lei","A one-pot and two-stage Baeyer–Villiger reaction using 2,2′-diperoxyphenic acid under biomolecule-compatible conditions","Green Chemistry","2022","24","5","2232","2239","10.1039/D1GC04478H","","x-ray","1.54184","CuKα","","0.0556","0.0522","","","0.1475","0.1525","","","","","","1.052","","","","has coordinates","274987","2022-05-05","20:37:07",""
"7244482","26.979","0.004","9.2286","0.0012","14.3392","0.0019","90","","102.602","0.002","90","","3484.1","0.8","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","0.71073","MoKα","","0.0609","0.0439","","","0.1228","0.1375","","","","","","1.026","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244483","8.224","0.004","14.043","0.007","21.164","0.01","90","","90","","90","","2444","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N O3 -","- C30 H31 N O3 -","- C120 H124 N4 O12 -","4","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","1.34139","GaKα","","0.1001","0.0694","","","0.1734","0.207","","","","","","1.099","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244484","8.0026","0.0011","15.666","0.002","8.8626","0.0012","90","","93.268","0.003","90","","1109.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","0.71073","MoKα","","0.1044","0.0555","","","0.0955","0.1114","","","","","","1.004","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244485","14.473","0.003","14.587","0.003","15.394","0.003","66.398","0.003","80.934","0.003","62.894","0.002","2649.8","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H74 O9 -","- C58 H74 O9 -","- C116 H148 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1216","0.0644","","","0.1564","0.1864","","","","","","1.015","","","","has coordinates","273141","2022-02-24","02:12:22",""
"7244486","14.545","0.013","14.729","0.013","15.409","0.013","66.675","0.011","81.233","0.012","62.481","0.011","2686","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H73 F O9 -","- C58 H73 F O9 -","- C116 H146 F2 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.118","0.0602","","","0.1595","0.1967","","","","","","1.011","","","","has coordinates,has disorder","273141","2022-02-24","02:12:27",""
"7244487","14.634","0.01","14.681","0.01","15.413","0.011","66.757","0.009","81.05","0.01","62.72","0.01","2703","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1217","0.0658","","","0.1924","0.2351","","","","","","0.997","","","","has coordinates","273141","2022-02-24","02:12:30",""
"7244488","14.494","0.0002","14.71417","0.00018","15.1622","0.0002","66.8505","0.0012","81.2416","0.0011","63.0184","0.0013","2648.26","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0411","0.0405","","","0.1146","0.1155","","","","","","1.046","","","","has coordinates","273141","2022-02-24","02:12:30",""
"7244489","14.4591","0.0007","14.5057","0.0005","15.3163","0.0005","66.263","0.003","80.241","0.003","63.042","0.004","2620.8","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","1","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.1033","0.0963","","","0.2531","0.2607","","","","","","1.043","","","","has coordinates,has disorder","273141","2022-02-24","02:12:30",""
"7244490","14.606","0.006","14.673","0.006","15.496","0.006","66.376","0.005","80.644","0.005","62.069","0.005","2687","1.9","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H74 O9 -","- C58 H74 O9 -","- C116 H148 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1453","0.0744","","","0.1701","0.2022","","","","","","1.022","","","","has coordinates,has disorder","273141","2022-02-24","02:12:30",""
"7244491","24.169","0.007","24.169","0.007","18.917","0.008","90","","90","","120","","9570","6","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C68.83 H89.66 O10 -","- C68.83 H89.66 O10 -","- C412.98 H537.96 O60 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1444","0.0713","","","0.2012","0.2676","","","","","","0.989","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244492","14.494","0.00019","14.6906","0.00018","15.1758","0.0002","66.8377","0.0012","81.2331","0.0011","63.0183","0.0013","2646.14","0.07","149.98","0.1","149.98","0.1","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0463","0.0452","","","0.1256","0.1268","","","","","","1.059","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244493","14.4791","0.0002","14.6694","0.0003","15.3429","0.0003","66.8561","0.0018","80.7799","0.0014","62.305","0.0016","2652.25","0.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0503","0.0482","","","0.1295","0.1321","","","","","","1.039","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244494","23.363","0.017","23.363","0.017","18.709","0.014","90","","90","","120","","8844","11","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C58 H73 Cl O9 -","- C58 H73 Cl O9 -","- C348 H438 Cl6 O54 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1697","0.0808","","","0.2053","0.2748","","","","","","1.022","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244495","14.615","0.002","14.871","0.003","15.668","0.003","66.701","0.002","80.933","0.002","61.155","0.002","2737.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1101","0.0766","","","0.2423","0.271","","","","","","1.058","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244496","14.571","0.01","14.891","0.011","15.392","0.011","102.473","0.008","96.914","0.008","119.118","0.007","2747","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O10 -","- C60 H76 O10 -","- C120 H152 O20 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.086","0.0651","","","0.194","0.2188","","","","","","1.041","","","","has coordinates","273141","2022-02-24","02:12:31",""
"7244497","14.49","0.007","14.479","0.007","15.489","0.007","81.001","0.006","66.274","0.005","62.645","0.005","2641","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C104 H133 O18 -","- C104 H133 O18 -","- C104 H133 O18 -","1","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1333","0.0972","","","0.3007","0.3339","","","","","","1.06","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244498","14.4119","0.0019","14.557","0.002","15.542","0.002","66.34","0.002","81.457","0.002","62.084","0.002","2635.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 Cl N O8 -","- C55 H68 Cl N O8 -","- C110 H136 Cl2 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.0885","0.0688","","","0.2038","0.2317","","","","","","1.062","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244499","14.435","0.008","14.541","0.008","15.528","0.008","66.197","0.006","81.269","0.007","61.464","0.006","2616","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 Cl N O8 -","- C55 H68 Cl N O8 -","- C110 H136 Cl2 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1129","0.0636","","","0.1777","0.2081","","","","","","1.047","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244500","14.4846","0.0004","14.6777","0.0005","15.3743","0.0005","66.81","0.003","80.771","0.003","62.298","0.003","2659.08","0.17","293","2","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C118 H154 N2 O16 -","- C118 H154 N2 O16 -","- C118 H154 N2 O16 -","1","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0701","0.067","","","0.1897","0.1943","","","","","","1.076","","","","has coordinates","273141","2022-02-24","02:12:32",""
"7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04",""
"7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244513","7.1368","0.0003","7.753","0.0003","12.3724","0.0005","90","","99.282","0.002","90","","675.62","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N3 O5 -","- C15 H11 N3 O5 -","- C30 H22 N6 O10 -","2","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0538","0.0431","","","0.1019","0.1088","","","","","","1.015","","","","has coordinates","273148","2022-02-24","23:38:28",""
"7244514","11.3941","0.0002","8.2165","0.0002","12.747","0.0002","90","","107.605","0.001","90","","1137.48","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C48 H32 N12 O20 -","2","0.5","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0345","0.0338","","","0.0839","0.0844","","","","","","1.005","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244515","6.9648","0.0002","8.0641","0.0002","30.4792","0.0007","90","","91.702","0.001","90","","1711.1","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O5 -","- C20 H15 N3 O5 -","- C80 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0407","0.0383","","","0.1088","0.1103","","","","","","1.049","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244516","20.2772","0.0005","6.5794","0.0002","17.0425","0.0004","90","","92.2871","0.0016","90","","2271.86","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C96 H64 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0534","0.0375","","","0.0873","0.0949","","","","","","1.048","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244517","7.9898","0.0003","7.0018","0.0003","25.9225","0.0011","90","","91.907","0.002","90","","1449.38","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O5 -","- C17 H11 N3 O5 -","- C68 H44 N12 O20 -","4","2","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0319","0.0318","","","0.0885","0.0886","","","","","","1.001","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244518","7.6442","0.0003","8.6092","0.0003","27.0462","0.0009","90","","90","","90","","1779.92","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O5 -","- C23 H15 N3 O5 -","- C92 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0516","0.0416","","","0.0962","0.1023","","","","","","0.996","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244519","13.6099","0.0008","8.6026","0.0005","21.6767","0.0013","90","","90.44","0.003","90","","2537.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 O10 -","- C30 H18 N6 O10 -","- C120 H72 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0569","0.0546","","","0.1385","0.1398","","","","","","1.075","","","","has coordinates","273148","2022-02-24","23:38:43",""
"7244520","9.18755","0.000008","13.99638","0.000009","20.528931","0.000011","90","","90","","90","","2639.86","0.003","120","","120","","","","100","","","","","6","P 21 21 21","P 2ac 2ab","19","","sofosbuvir hydrate","","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C88 H124 F4 N12 O40 P4 -","8","2","","Chatziadi, Argyro; Skořepová, Eliška; Kohout, Martin; Ridvan, Luděk; Šoóš, Miroslav","Exploring the polymorphism of sofosbuvir via mechanochemistry: effect of milling jar geometry and material","CrystEngComm","2022","","","","","10.1039/D1CE01561C","","","1.54184","CuKα","","0.029","0.0287","","0.0747","0.0743","0.0747","","","","","","1.0189","","","","has coordinates","273149","2022-02-24","23:39:38",""
"7244521","9.813","0.007","16.798","0.012","15.066","0.011","90","","97.022","0.009","90","","2465","3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cd N4 O5 Pb S2 -","- C21 H20 Cd N4 O5 Pb S2 -","- C84 H80 Cd4 N16 O20 Pb4 S8 -","4","1","","Majumdar, Dhrubajyoti; Frontera, A.; Gomila, Rosa M.; Das, Sourav; Bankura, Kalipada","Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation","RSC Advances","2022","12","10","6352","6363","10.1039/D1RA09346K","","","0.71073","MoKα","","0.071","0.0436","","","0.0935","0.1075","","","","","","1.033","","","","has coordinates","273153","2022-02-25","02:14:15",""
"7244522","32.7746","0.0006","8.1052","0.0001","8.3503","0.0002","90","","95.503","0.002","90","","2207.99","0.07","173","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","0.5","","Wang, Yuyin; Su, Bin; Lin, Guoming; Lou, Huiru; Wang, Shouxin; Yue, Cheng-Yang; Lei, Xiaowu","Exploring the Ruddlesden–Popper layered organic–inorganic hybrid semiconducting perovskite for visible-blind ultraviolet photodetection","CrystEngComm","2022","24","12","2258","2263","10.1039/D1CE01431E","","","1.54184","CuKα","","0.0807","0.0796","","","0.1819","0.1855","","","","","","0.996","","","","has coordinates","274975","2022-05-05","20:32:35",""
"7244523","12.6825","0.0003","14.325","0.0004","26.5675","0.0006","90","","90","","90","","4826.7","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C208 H200 N24 O48 -","8","1","","Maiti, Debajit; Das, Ranajit; Prabakar, Tejas; Sen, Subhabrata","Blue LED induced solvent-free multicomponent reactions among aryl diazoacetates, pyridine derivatives and maleimides: direct eco-friendly synthesis of densely functionalized itaconimides","Green Chemistry","2022","24","7","3001","3008","10.1039/D1GC03546K","","","0.71073","MoKα","","0.1499","0.1071","","","0.288","0.3348","","","","","","1.068","","","","has coordinates","274995","2022-05-05","20:38:32",""
"7244524","16.8521","0.0004","11.9552","0.0002","26.6656","0.0006","90","","108.107","0.003","90","","5106.3","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H19.67 N3 O4.33 S -","- C16 H19.6667 N3 O4.33333 S -","- C192 H236 N36 O52 S12 -","12","3","","Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun","Understanding the role of solvent in regulating the crystal habit","CrystEngComm","2022","24","12","2226","2240","10.1039/D1CE01486B","","","1.54184","CuKα","","0.0555","0.053","","","0.1478","0.1515","","","","","","1.035","","","","has coordinates","274976","2022-05-05","20:32:43",""
"7244525","8.9313","0.0018","11.627","0.002","15.232","0.003","110.92","0.03","103.93","0.03","80.74","0.03","1429.1","0.6","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O7 -","- C27 H24 Cd N8 O7 -","- C54 H48 Cd2 N16 O14 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","1.54184","CuKα","","0.0342","0.0336","","","0.0968","0.0975","","","","","","1.062","","","","has coordinates","273182","2022-02-28","23:31:31",""
"7244526","8.942","0.001","25.226","0.003","13.604","0.002","90","","105.54","0.04","90","","2956.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd N8 O6.33 -","- C28 H28 Cd N8 O6.329 -","- C112 H112 Cd4 N32 O25.316 -","4","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0389","0.0322","","","0.0671","0.07","","","","","","1.067","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244527","9.0978","0.0011","11.7836","0.0014","15.1083","0.0019","112.627","0.006","97.244","0.006","99.811","0.006","1440.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O5.43 -","- C27 H24 Cd N8 O5.433 -","- C54 H48 Cd2 N16 O10.866 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0436","0.0307","","","0.0698","0.0747","","","","","","1.049","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244528","9.5617","0.0004","39.729","0.0015","10.2744","0.0004","90","","92.477","0.003","90","","3899.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Palladacycle","","- C43 H41 Cl N5 O3 P Pd -","- C43 H41 Cl N5 O3 P Pd -","- C172 H164 Cl4 N20 O12 P4 Pd4 -","4","1","","Morla, Jhansi Rani; Nareddula, Dastagiri Reddy","Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst","RSC Advances","2022","12","11","6762","6771","10.1039/D2RA00389A","","","0.71073","MoKα","","0.1401","0.1159","","","0.2262","0.2373","","","","","","1.06","","","","has coordinates","273189","2022-03-01","02:09:26",""
"7244529","9.3411","0.0014","10.4942","0.0016","21.238","0.004","90","","88.74","0.014","90","","2081.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O5 -","- C20 H30 B N O5 -","- C80 H120 B4 N4 O20 -","4","1","","Morla, Jhansi Rani; Nareddula, Dastagiri Reddy","Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst","RSC Advances","2022","12","11","6762","6771","10.1039/D2RA00389A","","x-ray","0.71073","MoKα","","0.0884","0.0571","","","0.1346","0.1554","","","","","","1.033","","","","has coordinates","273189","2022-03-01","02:09:26",""
"7244530","12.407","0.01","16.723","0.013","17.478","0.014","90","","102.562","0.014","90","","3540","5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Co2(btbu)4(H2O)2(SiW12O40)]","","- C32 H52 Co2 N24 O42 Si W12 -","- C32 H52 Co2 N24 O42 Si W12 -","- C64 H104 Co4 N48 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0829","0.0672","","","0.1322","0.1386","","","","","","1.168","","","","has coordinates,has disorder","273194","2022-03-01","23:36:45",""
"7244531","12.438","0.002","16.716","0.003","17.383","0.003","90","","102.122","0.003","90","","3533.6","1","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ni2(btbu)4(H2O)2(SiW12O40)]","","- C32 H54 N24 Ni2 O42 Si W12 -","- C32 H54 N24 Ni2 O42 Si W12 -","- C64 H108 N48 Ni4 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0675","0.0563","","","0.1039","0.1072","","","","","","1.276","","","","has coordinates,has disorder","273194","2022-03-01","23:36:46",""
"7244532","15.1885","0.0002","7.6664","0.0001","22.5682","0.0003","90","","90.818","0.001","90","","2627.6","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O6 S -","- C27 H27.997 N4 O6 S -","- C108 H111.988 N16 O24 S4 -","4","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","x-ray","1.54184","CuKα","","0.0623","0.0544","","","0.1461","0.1524","","","","","","1.071","","","","has coordinates,has disorder","273195","2022-03-01","23:37:29",""
"7244533","7.6975","0.0002","12.7075","0.0003","14.7757","0.0004","65.633","0.003","83.024","0.002","77.802","0.002","1285.88","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O5 S -","- C27 H26 N4 O5 S -","- C54 H52 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","","1.54184","CuKα","","0.0659","0.063","","","0.1644","0.1677","","","","","","1.078","","","","has coordinates","273195","2022-03-01","23:37:30",""
"7244534","7.3618","0.0004","9.7239","0.0005","16.0733","0.0008","86.088","0.004","83.182","0.004","74.189","0.004","1098.48","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-(2-(4-((2-azidoethyl)(methyl)amino)styryl)-6-(tert-butyl)-4H-pyran-4-ylidene)malononitrile","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C46 H48 N12 O2 -","2","1","","Zhou, Yang; Maisonneuve, Stéphane; Casimiro, Lorenzo; Retailleau, Pascal; Xie, Juan; Maurel, François; Métivier, Rémi","Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05170A","","x-ray","0.71073","MoKα","","0.0527","0.0454","","","0.1262","0.1314","","","","","","1.021","","","","has coordinates","273201","2022-03-02","01:51:55",""
"7244535","29.8656","0.0017","7.1127","0.0004","10.0461","0.0005","90","","90","","90","","2134","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(E)-2-(2-(4-((2-azidoethyl)(methyl)amino)styryl)-6-(tert-butyl)-4H-pyran-4-ylidene)malononitrile","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C92 H96 N24 O4 -","4","0.5","","Zhou, Yang; Maisonneuve, Stéphane; Casimiro, Lorenzo; Retailleau, Pascal; Xie, Juan; Maurel, François; Métivier, Rémi","Photoisomerization of a 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran analog dye: a combined photophysical and theoretical investigation","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05170A","","x-ray","0.71073","MoKα","","0.0731","0.0659","","","0.2012","0.2093","","","","","","1.091","","","","has coordinates","273201","2022-03-02","01:52:07",""
"7244536","18.6073","0.0015","8.0235","0.0007","27.301","0.002","90","","90.501","0.002","90","","4075.8","0.6","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0733","0.0402","","","0.0773","0.088","","","","","","1.009","","","","has coordinates","273202","2022-03-02","02:16:44",""
"7244537","18.566","0.002","8.0029","0.0009","27.231","0.003","90","","90.472","0.002","90","","4045.9","0.8","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1187","0.0693","","","0.1396","0.1551","","","","","","1.091","","","","has coordinates","273202","2022-03-02","02:16:45",""
"7244538","18.5771","0.0017","8.0007","0.0007","27.235","0.003","90","","90.504","0.002","90","","4047.8","0.7","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1392","0.0611","","","0.0829","0.1004","","","","","","1.056","","","","has coordinates","273202","2022-03-02","02:16:47",""
"7244539","18.5787","0.0017","8.0072","0.0008","27.24","0.002","90","","90.531","0.002","90","","4052.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1029","0.0486","","","0.0853","0.1016","","","","","","1.006","","","","has coordinates","273202","2022-03-02","02:16:48",""
"7244540","18.577","0.002","8.0124","0.001","27.266","0.004","90","","90.554","0.002","90","","4058.3","0.9","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0565","0.0347","","","0.0702","0.0755","","","","","","0.992","","","","has coordinates","273202","2022-03-02","02:16:50",""
"7244541","18.5619","0.0016","8.0153","0.0007","27.22","0.002","90","","90.582","0.001","90","","4049.6","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0535","0.0355","","","0.0776","0.0838","","","","","","1.013","","","","has coordinates","273202","2022-03-02","02:16:50",""
"7244542","16.3085","0.0004","7.9252","0.0002","21.384","0.0006","90","","90","","90","","2763.84","0.12","110","","110","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.074","0.0719","","","0.1937","0.1962","","","","","","1.073","","","","has coordinates","274992","2022-05-05","20:37:57",""
"7244543","13.9329","0.0005","6.1434","0.0002","19.2618","0.0007","90","","96.736","0.0015","90","","1637.34","0.1","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C64 H80 O20 S4 -","4","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.037","0.0353","","","0.0949","0.0962","","","","","","1.055","","","","has coordinates","274992","2022-05-05","20:37:58",""
"7244544","10.8206","0.0005","6.2424","0.0003","12.0066","0.0005","90","","109.921","0.001","90","","762.48","0.06","110","","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.0322","0.0308","","","0.0793","0.0802","","","","","","1.057","","","","has coordinates","274992","2022-05-05","20:37:58",""
"7244545","21.6035","0.0006","7.9904","0.0002","16.8357","0.0005","90","","90","","90","","2906.19","0.14","110","","110","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C120 H160 O24 S8 -","8","2","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","0.71073","MoKα","","0.0599","0.0555","","","0.1589","0.1629","","","","","","1.07","","","","has coordinates,has disorder","274992","2022-05-05","20:37:58",""
"7244546","15.5333","0.0006","6.3618","0.0003","7.9158","0.0003","90","","90","","90","","782.24","0.06","173","0.14","173","0.14","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Br N3 -","- C6 H8 Br N3 -","- C24 H32 Br4 N12 -","4","0.5","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0413","0.0329","","","0.084","0.0899","","","","","","1.048","","","","has coordinates,has disorder","273215","2022-03-03","01:49:31",""
"7244547","10.4022","0.0007","7.513","0.0005","11.819","0.0009","90","","102.618","0.008","90","","901.37","0.11","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Br N2 -","- C8 H11 Br N2 -","- C32 H44 Br4 N8 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0333","0.0243","","","0.0484","0.0511","","","","","","1.067","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244548","7.0482","0.0003","11.4371","0.0005","11.1712","0.0006","90","","94.909","0.005","90","","897.22","0.07","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H10 Br N3 -","- C7 H10 Br N3 -","- C28 H40 Br4 N12 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0365","0.033","","","0.0703","0.072","","","","","","1.042","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244549","7.7092","0.0003","15.268","0.0004","7.4616","0.0003","90","","105.339","0.004","90","","846.97","0.05","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C7 H9 Br N2 -","- C7 H9 Br N2 -","- C28 H36 Br4 N8 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0249","0.0227","","","0.0486","0.0498","","","","","","1.034","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244550","7.3329","0.0003","9.3234","0.0004","12.2867","0.0004","90","","90.24","0.003","90","","840","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Cl N3 -","- C7 H10 Cl N3 -","- C28 H40 Cl4 N12 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","1.54184","CuKα","","0.0442","0.0353","","","0.0894","0.0953","","","","","","1.059","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244551","13.0861","0.0012","16.2425","0.0013","15.1289","0.0014","90","","90.599","0.008","90","","3215.5","0.5","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F6 N4 O4 S2 -","- C9 H10 F6 N4 O4 S2 -","- C72 H80 F48 N32 O32 S16 -","8","2","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.1023","0.0797","","","0.2154","0.2478","","","","","","1.031","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244552","7.3302","0.0003","7.1879","0.0003","8.5495","0.0004","90","","109.076","0.005","90","","425.73","0.03","173.2","0.7","173.2","0.7","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Br N2 O -","- C6 H11 Br N2 O -","- C12 H22 Br2 N4 O2 -","2","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0562","0.0582","","","","","","1.092","","","","has coordinates","273215","2022-03-03","01:49:32",""
"7244553","6.8182","0.0002","17.0994","0.0006","8.0181","0.0003","90","","102.298","0.003","90","","913.36","0.05","172.95","0.1","172.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 Br N2 -","- C7 H13 Br N2 -","- C28 H52 Br4 N8 -","4","1","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0528","0.0318","","","0.0587","0.0647","","","","","","1.016","","","","has coordinates","273215","2022-03-03","01:49:33",""
"7244554","14.9547","0.0005","6.2734","0.0002","7.8292","0.0003","90","","90","","90","","734.51","0.04","173","0.14","173","0.14","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C24 H32 Cl4 N12 -","4","0.5","","Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Pugh, David; Kay, Christopher William Michael; Welton, Tom","Effect of the cation structure on the properties of homobaric imidazolium ionic liquids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D1CP05169E","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0712","0.0741","","","","","","1.081","","","","has coordinates,has disorder","273215","2022-03-03","01:49:33",""
"7244555","12.6876","0.0009","27.208","0.002","9.5136","0.0008","90","","100.228","0.004","90","","3231.9","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C104 H96 Cl16 Cu8 N24 O12 Se8 -","4","0.5","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1688","0.0855","","","0.2145","0.2654","","","","","","0.818","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244556","6.8328","0.0002","14.7453","0.0003","12.9522","0.0002","90","","99.188","0.002","90","","1288.21","0.05","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N3 O Se -","- C13 H12 N3 O Se -","- C52 H48 N12 O4 Se4 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.0568","0.0415","","","0.1157","0.1229","","","","","","1.038","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244557","8.1846","0.0004","13.6156","0.0007","33.963","0.001","90","","93.899","0.004","90","","3776","0.3","295","2","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Cl3 Cu N7 O6 Se2 -","- C34 H21 Cl3 Cu N7 O6 Se2 -","- C136 H84 Cl12 Cu4 N28 O24 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1701","0.0931","","","0.2189","0.2448","","","","","","0.837","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244558","27.812","0.001","10.3367","0.0004","13.4574","0.0006","90","","118.406","0.003","90","","3403","0.3","295","2","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl2 Cu N3 O Se -","- C15 H16 Cl2 Cu N3 O Se -","- C120 H128 Cl16 Cu8 N24 O8 Se8 -","8","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1388","0.0711","","","0.1859","0.2199","","","","","","0.886","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244559","10.0633","0.0003","28.064","0.001","11.2909","0.0003","90","","93.491","0.002","90","","3182.82","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C104 H96 Cl16 Cu8 N24 O12 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1419","0.0571","","","0.1125","0.1345","","","","","","0.774","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244560","20.283","0.002","11.766","0.001","16.376","0.01","90","","104.47","0.01","90","","3784","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 Cl Cu N8 O6.5 Se2 -","- C34 H23 Cl Cu N8 O6.5 Se2 -","- C136 H92 Cl4 Cu4 N32 O26 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.3","0.0818","","","0.1609","0.2125","","","","","","0.733","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244561","8.4288","0.0006","19.7044","0.0013","14.1559","0.001","90","","105.465","0.001","90","","2266","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C104 H128 N8 O4 -","4","1","","Honda, Akinori; Hibi, Yukie; Matsumoto, Kazuma; Kawai, Masato; Miyamura, Kazuo","Alkyl substituent-dependent systematic change in cold crystallization of azo molecules","RSC Advances","2022","12","12","7229","7236","10.1039/D2RA00942K","","","0.71073","MoKα","","0.0518","0.0452","","","0.1274","0.134","","","","","","1.096","","","","has coordinates","273217","2022-03-03","02:16:23",""
"7244562","15.3938","0.0007","15.6175","0.0008","20.4211","0.001","90","","97.107","0.001","90","","4871.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(p-Miranphos)palladium(II) dichloride","","","- C45 H32 Cl2 F12 O5 P2 Pd -","- C45 H32 Cl2 F12 O5 P2 Pd -","- C180 H128 Cl8 F48 O20 P8 Pd4 -","4","1","","Herrera, Daniel; Peral, Daniel; Bayón, J. Carles","Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group","RSC Advances","2022","12","12","7103","7114","10.1039/D2RA00420H","","","0.71073","MoKα","","0.0709","0.0475","","","0.1158","0.1288","","","","","","1.029","","","","has coordinates,has disorder","273218","2022-03-03","02:17:07",""
"7244563","10.1026","0.0005","27.1594","0.0013","36.7299","0.0017","90","","90","","90","","10078","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H26 Cl2 F12 O4 P2 Pd -","- C42 H26 Cl2 F12 O4 P2 Pd -","- C336 H208 Cl16 F96 O32 P16 Pd8 -","8","1","","Herrera, Daniel; Peral, Daniel; Bayón, J. Carles","Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group","RSC Advances","2022","12","12","7103","7114","10.1039/D2RA00420H","","","0.71073","MoKα","","0.1889","0.0832","","","0.2291","0.2908","","","","","","1.028","","","","has coordinates,has disorder","273218","2022-03-03","02:17:07",""
"7244564","18.3974","0.0001","18.3974","0.0001","20.6604","0.0002","90","","90","","90","","6992.81","0.09","100","0.1","100","0.1","","","","","","","","5","P 42/m","-P 4c","84","p-sulfonatocalix[4]arene/pillar[4]pyridinum host-guest complex","","","- C52 H72 N4 O30 S4 -","- C52 H44 N4 O30 S4 -","- C208 H176 N16 O120 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.0993","0.0893","","","0.2615","0.2781","","","","","","1.026","","","","has coordinates,has disorder","273291","2022-03-03","23:41:40",""
"7244565","20.925","0.0007","21.5501","0.0005","28.2109","0.0006","102.793","0.002","91.143","0.002","116.562","0.003","10992.4","0.6","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[4]arene/pillar[6]pyridinum host-guest complex","","","- C156 H246 N12 O105 S12 -","- C156 H131 N12 O104.901 S12 -","- C312 H262 N24 O209.802 S24 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.1794","0.1154","","","0.307","0.3759","","","","","","1.159","","","","has coordinates,has disorder","273291","2022-03-03","23:41:41",""
"7244566","8.8185","0.0006","9.5207","0.0006","13.4205","0.0009","73.292","0.003","89.917","0.003","76.282","0.003","1045.71","0.12","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O7 -","- C26 H21 N O7 -","- C52 H42 N2 O14 -","2","1","","Farajpour, Behnaz; Alizadeh, Abdolali","Chemoselective and one-pot synthesis of novel coumarin-based cyclopenta[c]pyrans via base-mediated reaction of α,β-unsaturated coumarins and β-ketodinitriles","RSC Advances","2022","12","12","7262","7267","10.1039/D2RA00594H","","","0.71073","MoKα","","0.0642","0.0459","","","0.1449","0.1714","","","","","","1.28","","","","has coordinates","273344","2022-03-04","21:00:06",""
"7244567","44.809","0.004","10.8964","0.0009","25.255","0.002","90","","113.735","0.002","90","","11287.9","1.6","297.8","","297.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 N9 O16 Y2 -","- C43 H42 N9 O16 Y2 -","- C344 H336 N72 O128 Y16 -","8","1","","Hu, Qianlan; Xu, Tong; Gu, Jiaming; Zhang, Lirong; Liu, Yunling","A series of isostructural lanthanide metal-organic frameworks: effective fluorescence sensing for Fe3+, 2,4-DNP and 4-NP","CrystEngComm","2022","","","","","10.1039/D2CE00106C","","","0.71073","MoKα","","0.1466","0.0837","","","0.1975","0.2258","","","","","","1.069","","","","has coordinates","273440","2022-03-04","23:30:38",""
"7244568","7.9798","0.0008","15.7654","0.0016","3.5051","0.0004","90","","100.208","0.01","90","","433.98","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Sm -","- B3 Cd4 O10 Sm -","- B6 Cd8 O20 Sm2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0301","0.0296","","","0.0731","0.0735","","","","","","1.025","","","","has coordinates","273441","2022-03-04","23:31:19",""
"7244569","7.9549","0.0007","15.7709","0.0014","3.4813","0.0003","90","","100.227","0.009","90","","429.81","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Tb -","- B3 Cd4 O10 Tb -","- B6 Cd8 O20 Tb2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.025","0.0244","","","0.0601","0.0608","","","","","","1.091","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244570","7.9673","0.0009","15.7619","0.0017","3.4932","0.0004","90","","100.186","0.011","90","","431.76","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Eu O10 -","- B3 Cd4 Eu O10 -","- B6 Cd8 Eu2 O20 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0297","0.0293","","","0.0756","0.0758","","","","","","1.064","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244571","5.509","0.006","9.973","0.01","22.6","0.03","102.25","0.05","91.01","0.06","94.03","0.03","1210","2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","2-amino 4-methylpyridinium Glutaric acid (C11 H16 N2 O4)","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","2","","D, Joseph Daniel; P., Karuppasamy; Phan, Vuong Quoc; Kim, Hongjoo","Synthesis, crystal growth, structural and physico-chemical properties of an Organic single crystal (C11H16N2O4) for fast scintillation and NLO applications","CrystEngComm","2022","","","","","10.1039/D1CE01674A","","","0.71073","MoKα","","0.1409","0.0827","","","0.2","0.2272","","","","","","1.056","","","","has coordinates","273442","2022-03-04","23:31:50",""
"7244572","9.7596","0.0009","6.3491","0.0006","18.2303","0.0018","90","","102.17","0.003","90","","1104.25","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 O5 -","- C9 H11 N3 O5 -","- C36 H44 N12 O20 -","4","1","","Zhang, Jinyan; Liang, Zhihan; Yang, Fei; JI, Shaochang; Lan, Ping; Liao, Ye-Xin","Unique sandwich structure of pyrazinamide-methylmalonic acid cocrystal：ternary phase diagrams, characterization and property evaluation","CrystEngComm","2022","","","","","10.1039/D1CE01609A","","","0.71073","MoKα","","0.0974","0.0508","","","0.1047","0.1209","","","","","","1.016","","","","has coordinates","273464","2022-03-05","23:35:08",""
"7244573","7.6344","0.0003","6.3521","0.0003","28.5161","0.0012","90","","90.703","0.001","90","","1382.77","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F N3 O6 -","- C12 H14 F N3 O6 -","- C48 H56 F4 N12 O24 -","4","1","","Bu, Fan-Zhi; Yu, Yueming; Shen, Yu-Li; Liu, Lu; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Cocrystallization-driven self-assembly with vanillic acid offers a new opportunity for surmounting fast and excessive absorption issues of antifungal drug 5-fluorocytosine: a combined theoretical and experimental research","CrystEngComm","2022","","","","","10.1039/D2CE00114D","","","0.71073","MoKα","","0.0606","0.0392","","","0.0944","0.1037","","","","","","1.069","","","","has coordinates","273511","2022-03-07","23:33:02",""
"7244574","9.0077","0.0003","9.8072","0.0004","11.17","0.0004","85.052","0.002","68.8505","0.0019","81.886","0.002","910.42","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H29 N4 O9 -","- C44 H28.958 N4 O8.958 -","- C44 H28.958 N4 O8.958 -","1","0.5","","Liu, Yu-Chen; Lu, Guo-Dan; Zhou, Jia-Hui; Rong, Jie-Wei; Liu, Hui-Yan; Wang, Hai-Ying","Fluoranthene dyes for the detection of water content in methanol","RSC Advances","2022","12","12","7405","7412","10.1039/D1RA08392A","","","0.71073","MoKα","","0.0846","0.0512","","","0.1534","0.1897","","","","","","1.032","","","","has coordinates,has disorder","273520","2022-03-08","02:09:31",""
"7244575","16.071","0.003","8.368","0.0017","23.949","0.005","90","","102.49","0.03","90","","3144.5","1.1","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0639","0.0599","","","0.1753","0.1804","","","","","","1.116","","","","has coordinates","273537","2022-03-08","23:31:37",""
"7244576","10.306","0.002","18.839","0.004","8.912","0.0018","90","","112.03","0.03","90","","1604","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0537","0.0488","","","0.1437","0.1473","","","","","","1.103","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244577","6.739","0.0014","11.596","0.002","15.268","0.003","103.81","0.03","92.11","0.03","95.34","0.03","1151.5","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C58 H44 N4 O6 S2 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0561","0.0447","","","0.1271","0.1328","","","","","","1.072","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244578","14.045","0.003","12.833","0.003","17.198","0.003","90","","90","","90","","3099.8","1.1","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0893","0.0507","","","0.1258","0.1366","","","","","","0.904","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244579","23.354","0.003","23.354","0.003","13.117","0.003","90","","90","","90","","7154","2","173","2","173","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C13 H15 Cl Co N6 -","- C13 H15 Cl Co N6 -","- C208 H240 Cl16 Co16 N96 -","16","0.5","","Lee, Jaechul; Seo, Younggyu; Kang, Dong Won; Park, Seungjae; Kim, Hyunyong; Kim, Jaheon; Kim, Kimoon; Hong, Chang Seop; Lim, Dae-Woon; Lee, Eunsung","Reversible ammonia uptake at room temperature in a robust and tunable metal–organic framework","RSC Advances","2022","12","13","7605","7611","10.1039/D2RA01270G","","","0.71073","MoKα","","0.0806","0.0716","","","0.2286","0.2377","","","","","","1.122","","","","has coordinates","273550","2022-03-09","02:14:18",""
"7244580","16.392","0.0006","7.1332","0.0004","20.1084","0.0008","90","","95.662","0.004","90","","2339.75","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","","Ren, Jie; Pi, Chao; Cui, Xiuling; Wu, Yangjie","Divergent C(sp2)–H arylation of heterocycles via organic photoredox catalysis","Green Chemistry","2022","24","7","3017","3022","10.1039/D1GC04825B","","x-ray","1.54184","CuKα","","0.0687","0.0497","","","0.1265","0.1434","","","","","","1.045","","","","has coordinates","274997","2022-05-05","20:38:47",""
"7244581","8.9535","0.0003","14.0575","0.0005","9.4542","0.0003","90","","90.799","0.002","90","","1189.83","0.07","149.44","","149.44","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Zhou, Bei; He, Yu-Juan; Tao, Yun-Feng; Liu, Lan-Xiang; Hu, Min; Chang, Zu-Hui; Lei, Hong; Lin, Jun; Lin, Tong; Du, Guan-Ben","Electrocatalytic synthesis of α,α-gem-dihalide ketones from α-mono-halide ketones and unexpected dimer condensation","Green Chemistry","2022","24","7","2859","2870","10.1039/D1GC04584A","","","1.54178","CuKα","","0.0826","0.0669","","","0.1616","0.1745","","","","","","1.097","","","","has coordinates","274999","2022-05-05","20:38:59",""
"7244582","10.15","0.0008","11.7115","0.001","13.276","0.0012","81.779","0.003","72.548","0.002","87.653","0.003","1490","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N28 O18 Zn3 -","- C54 H46 N28 O18 Zn3 -","- C54 H46 N28 O18 Zn3 -","1","0.5","","Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen","Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions","RSC Advances","2022","12","13","7780","7788","10.1039/D2RA00376G","","","0.71073","MoKα","","0.1059","0.0646","","","0.1644","0.1956","","","","","","1.063","","","","has coordinates,has disorder","273582","2022-03-10","02:14:48",""
"7244583","7.6389","0.0009","17.543","0.002","23.531","0.003","90","0.002","90","","90","0.002","3153.4","0.7","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N7 O8 Zn2 -","- C33 H19 N7 O8 Zn2 -","- C132 H76 N28 O32 Zn8 -","4","1","","Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen","Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions","RSC Advances","2022","12","13","7780","7788","10.1039/D2RA00376G","","","0.71073","MoKα","","0.2133","0.1202","","","0.2991","0.3548","","","","","","1.033","","","","has coordinates,has disorder","273582","2022-03-10","02:14:58",""
"7244584","21.6663","0.0005","13.0707","0.0002","18.7948","0.0004","90","","102.54","0.002","90","","5195.6","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56.73 Fe2 N12 O2 S14 Sn6 -","- C18 H56.7347 Fe2 N12 O2 S14 Sn6 -","- C72 H226.939 Fe8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0538","0.034","","","0.067","0.0721","","","","","","0.986","","","","has coordinates","273624","2022-03-10","23:46:03",""
"7244585","21.4593","0.0005","12.9922","0.0004","18.7194","0.0006","90","","102.264","0.003","90","","5099.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C72 H232 N48 O8 S56 Sn24 Zn8 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0927","0.0953","","","","","","1.135","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244586","21.7391","0.0006","13.0228","0.0003","18.5826","0.0006","90","","103.74","0.003","90","","5110.3","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C72 H232 Mn8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","1.3405","GaKα","","0.047","0.0402","","","0.1014","0.1068","","","","","","1.061","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244587","3.897","0.003","12.568","0.006","9.03","0.004","90","","97.33","0.02","90","","438.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Br2 Cu N2 S -","- C6 H4 Br2 Cu N2 S -","- C12 H8 Br4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0624","0.0563","","","0.1552","0.1582","","","","","","1.257","","","","has coordinates","273625","2022-03-10","23:47:11",""
"7244588","3.677","0.0015","12.682","0.003","8.707","0.002","90","","98.51","0.02","90","","401.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 Se -","- C6 H4 Cl2 Cu N2 Se -","- C12 H8 Cl4 Cu2 N4 Se2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.087","0.057","","","0.1333","0.147","","","","","","1.052","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244589","3.713","0.003","12.553","0.006","8.767","0.004","90","","97.73","0.02","90","","404.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0648","0.0445","","","0.0985","0.1071","","","","","","1.077","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244590","8.487","0.001","9.587","0.0012","10.319","0.0008","94.514","0.01","109.679","0.009","102.793","0.011","760.13","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Br Cu0.5 N2 Se -","- C6 H4 Br Cu0.5 N2 Se -","- C24 H16 Br4 Cu2 N8 Se4 -","4","2","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0735","0.052","","","0.1435","0.1529","","","","","","1.135","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244591","7.9813","0.0006","11.4019","0.001","17.8408","0.0008","92.73","0.005","90.852","0.005","108.525","0.007","1536.9","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","1.54184","CuKα","","0.1128","0.1046","","","0.3058","0.313","","","","","","1.039","","","","has coordinates","274996","2022-05-05","20:38:40",""
"7244592","8.21","0.0004","9.4039","0.0006","10.1909","0.0008","111.938","0.007","99.562","0.005","97.455","0.005","703.68","0.09","293.75","0.1","293.75","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","0.71073","MoKα","","0.0469","0.0407","","","0.1009","0.1065","","","","","","1.043","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244593","11.7113","0.0006","9.8511","0.0005","25.285","0.0014","90","","97.144","0.005","90","","2894.5","0.3","293.75","0.1","293.75","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","2","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","0.71073","MoKα","","0.0595","0.0479","","","0.1163","0.125","","","","","","1.013","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244594","12.6474","0.0009","7.3679","0.0005","17.5437","0.0013","90","","110.655","0.009","90","","1529.7","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong","Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone","Green Chemistry","2022","24","7","2919","2926","10.1039/D1GC04892A","","x-ray","1.54184","CuKα","","0.0589","0.0474","","","0.1173","0.1276","","","","","","1.036","","","","has coordinates","274996","2022-05-05","20:38:41",""
"7244595","14.399","0.002","15.344","0.003","18.992","0.003","95.64","0.02","96.89","0.02","113.93","0.02","3757.4","1.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H32 Br3 I8 N16 Sb5 -","- C64 H32 Br3 I8 N16 Sb5 -","- C128 H64 Br6 I16 N32 Sb10 -","2","1","","Xue, Qi; Bi, Fuqiang; Luo, Yifen; Zhang, Jiarong; Yang, Kaidi; Wang, Bozhou; Xue, Ganglin","Methyl nitrate energetic compounds based on bicyclic scaffolds of furazan–isofurazan (isoxazole): syntheses, crystal structures and detonation performances","RSC Advances","2022","12","13","7712","7719","10.1039/D2RA00215A","","","0.71073","MoKα","","0.0937","0.0476","","","0.0872","0.0957","","","","","","1.001","","","","has coordinates","273636","2022-03-11","02:29:40",""
"7244596","15.371","0.0008","9.1833","0.0004","7.7679","0.0004","90","","91.405","0.004","90","","1096.16","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N8 O7 -","- C5 H6 N8 O7 -","- C20 H24 N32 O28 -","4","1","","Xue, Qi; Bi, Fuqiang; Luo, Yifen; Zhang, Jiarong; Yang, Kaidi; Wang, Bozhou; Xue, Ganglin","Methyl nitrate energetic compounds based on bicyclic scaffolds of furazan–isofurazan (isoxazole): syntheses, crystal structures and detonation performances","RSC Advances","2022","12","13","7712","7719","10.1039/D2RA00215A","","","1.54178","CuKα","","0.1006","0.0905","","","0.2345","0.2469","","","","","","1.101","","","","has coordinates","273636","2022-03-11","02:29:41",""
"7244597","16.6748","0.0018","14.1341","0.0016","28.845","0.003","90","","89.974","0.002","90","","6798.3","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{[Co(btc)(DMF)2] . 2/3 DMF}n","","- C51 H65 Co3 N8 O26 -","- C45 H51 Co3 N6 O24 -","- C180 H204 Co12 N24 O96 -","4","1","","Zacharias, Savannah C.; Ramon, Gaelle; Bourne, Susan A.","Solvatochromism and the effect of solvent on properties in a two-dimensional coordination polymer of cobalt-trimesate","CrystEngComm","2022","","","","","10.1039/D2CE00039C","","","0.71073","MoKα","","0.1191","0.0771","","","0.1941","0.2162","","","","","","1.05","","","","has coordinates","273707","2022-03-15","23:41:43",""
"7244598","11.1221","0.0001","9.4107","0.0001","15.8718","0.0002","90","","95.181","0.001","90","","1654.46","0.03","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenylantimony dichloride","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0421","0.0397","","","0.0974","0.0995","","","","","","1.037","","","","has coordinates","273714","2022-03-16","01:48:41",""
"7244599","16.0104","0.0003","22.3412","0.0006","6.1613","0.0001","90","","90.009","0.002","90","","2203.84","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenylarsinic acid","","- C12 H11 As O2 -","- C12 H11 As O2 -","- C96 H88 As8 O16 -","8","2","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0343","0.0308","","","0.0834","0.0864","","","","","","1.036","","","","has coordinates","273714","2022-03-16","01:48:42",""
"7244600","9.1006","0.0003","17.0456","0.0004","22.1478","0.0005","90","","90","","90","","3435.68","0.16","100","0.02","100","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triphenylbismuth dichloride","","- C18 H15 Bi Cl2 -","- C18 H15 Bi Cl2 -","- C144 H120 Bi8 Cl16 -","8","2","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","","0.71073","MoKα","","0.0245","0.0203","","","0.0361","0.037","","","","","","0.99","","","","has coordinates","273714","2022-03-16","01:48:42",""
"7244601","11.4506","0.0004","6.0251","0.0002","15.7851","0.0004","90","","99.389","0.003","90","","1074.44","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenylarsinic acid","","- C12 H11 As O2 -","- C12 H11 As O2 -","- C48 H44 As4 O8 -","4","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0291","0.0275","","","0.0741","0.075","","","","","","1.185","","","","has coordinates","273714","2022-03-16","01:48:42",""
"7244602","11.4435","0.0003","5.9428","0.0002","15.6087","0.0004","90","","100.199","0.002","90","","1044.72","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenylphosphinic acid","","- C12 H11 O2 P -","- C12 H11 O2 P -","- C48 H44 O8 P4 -","4","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0388","0.0344","","","0.088","0.0912","","","","","","1.045","","","","has coordinates","273714","2022-03-16","01:48:42",""
"7244603","18.7709","0.0002","18.7709","0.0002","26.6661","0.0003","90","","90","","120","","8136.93","0.15","100.1","0.3","100.1","0.3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C57 H57 As2 N3 O8 S3 -","- C57 H57 As2 N3 O8 S3 -","- C342 H342 As12 N18 O48 S18 -","6","0.333333","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0593","0.0575","","","0.1591","0.1629","","","","","","1.083","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244604","9.465","0.0002","16.2211","0.0003","11.0562","0.0003","90","","113.71","0.003","90","","1554.21","0.07","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylarsine oxide hydrate","","- C18 H17 As O2 -","- C18 H17 As O2 -","- C72 H68 As4 O8 -","4","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","0.71073","MoKα","","0.0474","0.0369","","","0.0864","0.0935","","","","","","1.047","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244605","12.0623","0.0002","14.7844","0.0002","18.0122","0.0002","90","","101.613","0.001","90","","3146.43","0.08","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O6 S Sb2 -","- C36 H32 O6 S Sb2 -","- C144 H128 O24 S4 Sb8 -","4","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0264","0.0238","","","0.0609","0.0622","","","","","","1.036","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244606","22.9804","0.0002","13.6482","0.0001","35.9388","0.0003","90","","112.539","0.001","90","","10410.9","0.17","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cl6 O8 Sb4 -","- C50 H42 Cl6 O8 Sb4 -","- C400 H336 Cl48 O64 Sb32 -","8","1","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.0902","0.0914","","","","","","1.053","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244607","13.0134","0.0001","23.6265","0.0002","43.3575","0.0004","90","","90","","90","","13330.7","0.2","100","0.02","100","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Triphenylantimony dichloride","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C576 H480 Cl64 Sb32 -","32","4","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0267","0.024","","","0.06","0.0618","","","","","","1.071","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244608","6.4058","0.0002","12.1092","0.0003","21.6453","0.0007","90","","92.249","0.001","90","","1677.71","0.09","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","TMSOTf-mediated Kröhnke pyridine synthesis using HMDS as the nitrogen source under microwave irradiation","RSC Advances","2022","12","13","8263","8273","10.1039/D2RA00084A","","","0.71073","MoKα","","0.0412","0.0354","","","0.0912","0.0956","","","","","","1.029","","","","has coordinates","273715","2022-03-16","02:14:38",""
"7244609","9.8179","0.0003","10.4973","0.0003","11.9206","0.0003","76.321","0.001","87.727","0.001","66.756","0.001","1094.83","0.05","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C60 H52 N4 -","2","1","","Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","TMSOTf-mediated Kröhnke pyridine synthesis using HMDS as the nitrogen source under microwave irradiation","RSC Advances","2022","12","13","8263","8273","10.1039/D2RA00084A","","","0.71073","MoKα","","0.0529","0.0423","","","0.1058","0.1131","","","","","","1.032","","","","has coordinates","273715","2022-03-16","02:14:41",""
"7244610","6.6073","0.0001","5.1428","0.0001","13.4696","0.0002","90","","97.9328","0.0011","90","","453.317","0.013","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Br2 O5 Sb4 -","- Br2 O5 Sb4 -","- Br4 O10 Sb8 -","2","0.5","","Paul, Sayantani; Sen, Bibaswan; Chakraborty, Nirman; Das, Sangita; Mondal, Swastik; Chattopadhyay, Asoke P.; Ali, Sk Imran","pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination","RSC Advances","2022","12","14","8374","8384","10.1039/D2RA01215D","","x-ray","0.71073","MoKα","","0.0233","0.0219","","","0.0277","0.028","","","","1.84","1.84","1.8","","","","has coordinates","273716","2022-03-16","02:15:28",""
"7244611","6.2435","0.0003","5.1144","0.0001","13.5502","0.0006","90","","97.252","0.003","90","","429.22","0.03","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 O5 Sb4 -","- Cl2 O5 Sb4 -","- Cl4 O10 Sb8 -","2","0.5","","Paul, Sayantani; Sen, Bibaswan; Chakraborty, Nirman; Das, Sangita; Mondal, Swastik; Chattopadhyay, Asoke P.; Ali, Sk Imran","pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination","RSC Advances","2022","12","14","8374","8384","10.1039/D2RA01215D","","x-ray","0.71073","MoKα","","0.0308","0.0218","","","0.0247","0.026","","","","1.31","1.31","1.24","","","","has coordinates","273716","2022-03-16","02:15:39",""
"7244612","6.8069","0.0003","6.8839","0.0003","17.1166","0.001","90","","90","","90","","802.05","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","","1.54184","CuKα","","0.0425","0.0366","","","0.0796","0.0838","","","","","","0.948","","","","has coordinates","273717","2022-03-16","02:16:29",""
"7244613","8.0544","0.0008","10.367","0.0007","10.0444","0.0008","90","","90.784","0.008","90","","838.63","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","2","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","1.54184","CuKα","","0.0811","0.079","","","0.2258","0.2285","","","","","","1.05","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244614","7.7727","0.0009","8.7216","0.0011","10.8637","0.0011","90","","102.983","0.011","90","","717.63","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","0.71073","MoKα","","0.0289","0.0238","","","0.0395","0.041","","","","","","1.0926","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244615","15.0645","0.0006","15.3364","0.0006","17.7822","0.0007","90.076","0.001","113.74","0.001","105.522","0.001","3595.7","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0584","0.0366","","","0.0731","0.0811","","","","","","0.979","","","","has coordinates","273745","2022-03-16","23:44:28",""
"7244616","7.7037","0.0003","12.7537","0.0005","13.9504","0.0006","86.173","0.001","85.566","0.001","83.167","0.001","1354.53","0.09","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0463","0.0321","","","0.0657","0.0717","","","","","","1.022","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244617","9.7346","0.0004","16.2688","0.0007","17.667","0.0008","90","","103.479","0.001","90","","2720.9","0.2","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co Mo4 N6 O16 -","- C14 H18 Co Mo4 N6 O16 -","- C56 H72 Co4 Mo16 N24 O64 -","4","1","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0341","","","0.0692","0.0726","","","","","","1.096","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244618","8.0458","0.0001","10.7531","0.0002","11.7107","0.0002","69.684","0.001","87.113","0.001","76.21","0.001","922.18","0.03","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cl Cu2 O9 -","- C15 H7 Cl Cu2 O9 -","- C30 H14 Cl2 Cu4 O18 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.0334","0.0288","","","0.0813","0.0835","","","","","","1.098","","","","has coordinates","273746","2022-03-16","23:45:57",""
"7244619","10.4588","0.0004","11.5667","0.0003","24.5591","0.0013","86.973","0.003","89.332","0.004","80.888","0.003","2929.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 Br2 N6 O20 Zn4 -","- C60 H44 Br2 N6 O20 Zn4 -","- C120 H88 Br4 N12 O40 Zn8 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.1067","0.0709","","","0.1696","0.1969","","","","","","1.028","","","","has coordinates","273746","2022-03-16","23:45:58",""
"7244620","14.2599","0.0005","10.0971","0.0004","17.8998","0.0006","90","","103.077","0.001","90","","2510.44","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cd N3 O6 -","- C27 H25 Cd N3 O6 -","- C108 H100 Cd4 N12 O24 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0387","0.0262","","","0.053","0.0626","","","","","","1.101","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244621","11.8826","0.0007","13.1721","0.0009","13.519","0.001","78.902","0.003","88.255","0.003","83.346","0.002","2062.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Cd N7 O8 -","- C43 H45 Cd N7 O8 -","- C86 H90 Cd2 N14 O16 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0518","0.04","","","0.1002","0.1109","","","","","","1.055","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244622","15.1674","0.0004","16.9696","0.0004","15.2451","0.0004","90","","98.59","0.001","90","","3879.84","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cd N4 O9 -","- C40 H46 Cd N4 O9 -","- C160 H184 Cd4 N16 O36 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0479","0.0336","","","0.0726","0.0828","","","","","","1.063","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244623","8.5444","0.0003","22.0061","0.0008","11.1259","0.0004","90","","98.905","0.001","90","","2066.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cd N4 O10 -","- C44 H46 Cd N4 O10 -","- C88 H92 Cd2 N8 O20 -","2","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0285","0.0232","","","0.0566","0.0614","","","","","","1.054","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244624","9.1064","0.0007","12.4497","0.001","14.1999","0.0012","101.718","0.003","106.897","0.003","90.206","0.003","1504.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","1","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0391","0.0315","","","0.075","0.0803","","","","","","1.06","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244625","11.9441","0.0016","12.2012","0.0017","13.45","0.0019","76.259","0.002","72.322","0.002","79.906","0.002","1802.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 N4 O2 S2 -","- C42 H36 N4 O2 S2 -","- C84 H72 N8 O4 S4 -","2","1","","Chen, Ziren; Xue, Fei; Liu, Tianxiang; Wang, Bin; Zhang, Yonghong; Jin, Weiwei; Xia, Yu; Liu, Chenjiang","Synthesis of β-hydroxysulfides via visible-light-driven and EDA complex-promoted hydroxysulfenylation of styrenes with heterocyclic thiols in EtOH under photocatalyst-free conditions","Green Chemistry","2022","24","8","3250","3256","10.1039/D2GC00121G","","","0.71073","MoKα","","0.0628","0.0417","","","0.1007","0.1137","","","","","","1.024","","","","has coordinates","274985","2022-05-05","20:36:44",""
"7244626","24.764","0.005","12.538","0.003","13.43","0.003","90","","91.148","0.003","90","","4169.1","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H71 Cl8 N8 O4 S4 -","- C87 H71 Cl8 N8 O4 S4 -","- C174 H142 Cl16 N16 O8 S8 -","2","0.5","","Chen, Ziren; Xue, Fei; Liu, Tianxiang; Wang, Bin; Zhang, Yonghong; Jin, Weiwei; Xia, Yu; Liu, Chenjiang","Synthesis of β-hydroxysulfides via visible-light-driven and EDA complex-promoted hydroxysulfenylation of styrenes with heterocyclic thiols in EtOH under photocatalyst-free conditions","Green Chemistry","2022","24","8","3250","3256","10.1039/D2GC00121G","","","0.71073","MoKα","","0.0807","0.0494","","","0.1375","0.1564","","","","","","1.038","","","","has coordinates","274985","2022-05-05","20:36:55",""
"7244627","11.5648","0.0001","6.5343","0.0001","21.5417","0.0002","90","","97.443","0.001","90","","1614.14","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O -","- C19 H17 N5 O -","- C76 H68 N20 O4 -","4","1","","Ng, Jia Hui; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Three-component microwave-assisted synthesis of 3,5-disubstituted pyrazolo[3,4-d]pyrimidin-4-ones","RSC Advances","2022","12","14","8323","8332","10.1039/D2RA00980C","","","1.54184","CuKα","","0.0412","0.039","","","0.0984","0.1005","","","","","","1.067","","","","has coordinates","273752","2022-03-17","02:20:35",""
"7244628","6.3686","0.0003","7.5121","0.0003","17.5514","0.0005","85.174","0.003","80.226","0.003","88.51","0.003","824.51","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N5 O2 -","- C18 H14 Br N5 O2 -","- C36 H28 Br2 N10 O4 -","2","1","","Ng, Jia Hui; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Three-component microwave-assisted synthesis of 3,5-disubstituted pyrazolo[3,4-d]pyrimidin-4-ones","RSC Advances","2022","12","14","8323","8332","10.1039/D2RA00980C","","","1.54184","CuKα","","0.0263","0.0257","","","0.0633","0.064","","","","","","1.044","","","","has coordinates","273752","2022-03-17","02:20:46",""
"7244629","12.7882","0.001","13.2551","0.001","14.4372","0.0011","67.94","0.002","79.147","0.003","69.028","0.003","2113.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[Diaqua(/u-/k^2,1^-3,5-dinitrobenzoate)bis(/u^2^-/k^1,1^-3,5-dinitrobenzoate))cobalt(II)]cobalt(II) acetone tetrasolvate","","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","1","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0988","0.0565","","","0.1224","0.1641","","","","","","1.136","","","","has coordinates","273758","2022-03-17","23:36:59",""
"7244630","10.3871","0.0009","5.2909","0.0004","22.6353","0.0017","90","","91.788","0.003","90","","1243.36","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diaquabis(3,5-dinitrobenzoato)-bis[(methanesulfinyl)methane]-cobalt(II)","","- C18 H22 Co N4 O16 S2 -","- C18 H22 Co N4 O16 S2 -","- C36 H44 Co2 N8 O32 S4 -","2","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0314","0.0251","","","0.0605","0.0659","","","","","","1.096","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244631","11.2634","0.0008","12.6777","0.0009","25.2927","0.0018","99.217","0.003","102.517","0.003","100.46","0.003","3391.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Cocrystal (1:1:3) bis[(acetonitrile-N)aqua-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : bis[bis(acetonitrile-N)-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u^2^-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : acetonitrile","","- C54 H38 Co3 N18 O37 -","- C54 H38 Co3 N18 O37 -","- C108 H76 Co6 N36 O74 -","2","1","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0554","0.0356","","","0.0861","0.1016","","","","","","1.164","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244632","14.7092","0.0004","22.2121","0.0006","30.2861","0.0008","90","","90","","90","","9895.1","0.5","296.15","","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H66 Cu Mo24 N12 O90 P2 -","- C27 H66 Cu Mo24 N12 O90 P2 -","- C108 H264 Cu4 Mo96 N48 O360 P8 -","4","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0554","0.0366","","","0.0834","0.0938","","","","","","1.052","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244633","11.2067","0.001","11.2692","0.001","12.4783","0.0011","65.382","0.001","81.493","0.002","62.926","0.001","1274","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C24 H38 Cl2 Cu4 Mo8 N12 O28 -","2","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0311","0.0226","","","0.0479","0.0511","","","","","","1.02","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244634","12.4509","0.0017","16.733","0.002","19.224","0.003","98.809","0.002","102.976","0.002","93.813","0.002","3835.6","0.9","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","1","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0705","0.0531","","","0.132","0.1477","","","","","","1.024","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244635","19.1589","0.0006","25.1934","0.0008","21.8895","0.0007","90","","94.505","0.001","90","","10532.9","0.6","296.15","","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C108 H208 Cl4 Cu6 Mo96 N48 O332 P8 -","2","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.1216","0.0619","","","0.1126","0.1301","","","","","","1.047","","","","has coordinates","273759","2022-03-17","23:39:50",""
"7244636","11.8013","0.0002","6.8401","0.0002","14.1778","0.0003","90","","91.9732","0.0011","90","","1143.78","0.05","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0607","0.0433","","","0.1193","0.139","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:24",""
"7244637","15.0335","0.0012","6.9116","0.0005","13.0522","0.001","90","","110.715","0.009","90","","1268.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0797","0.0734","","","0.2059","0.2154","","","","","","1.073","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244638","5.0796","0.0003","10.1603","0.001","26.629","0.0019","90","","91.589","0.006","90","","1373.8","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0976","0.0717","","","0.1822","0.2009","","","","","","1.088","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244639","9.128","0.003","5.9193","0.0019","23.562","0.008","90","","92.81","0.004","90","","1271.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0685","0.0498","","","0.1371","0.1565","","","","","","1.061","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244640","11.2982","0.0002","15.8116","0.0003","7.97734","0.00018","90","","106.196","0.002","90","","1368.54","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.051","0.0481","","","0.1439","0.1466","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244641","26.6725","0.0002","19.708","0.0001","10.3729","0.0001","90","","90","","90","","5452.64","0.07","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C256 H272 N16 O32 -","8","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1063","0.1076","","","","","","0.998","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244642","12.8712","0.0011","15.0167","0.0014","10.342","0.0011","90","","112.057","0.011","90","","1852.6","0.3","300.16","0.1","300.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0921","0.0673","","","0.2009","0.2317","","","","","","1.045","","","","has coordinates,has disorder","273760","2022-03-17","23:41:26",""
"7244643","15.00116","0.00017","7.02328","0.00008","12.03785","0.00013","90","","92.2525","0.001","90","","1267.3","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","1.54184","CuKα","","0.053","0.0509","","","0.152","0.1539","","","","","","1.072","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244644","4.998","0.0005","19.0007","0.0014","18.7257","0.0019","90","","96.275","0.011","90","","1767.6","0.3","150","0.7","150","0.7","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O5 -","- C24 H16 O5 -","- C96 H64 O20 -","4","1","","Karmakar, Indrajit; Brahmachari, Goutam","Electrochemical and mechanochemical synthesis of dihydrofuro[3,2-c]chromenones via intramolecular Csp3–H cross-dehydrogenative oxygenation within warfarin frameworks: an efficient and straightforward dual approach","Green Chemistry","2022","24","7","2825","2838","10.1039/D2GC00146B","","x-ray","0.71073","MoKα","","0.1489","0.0982","","","0.2102","0.2541","","","","","","0.934","","","","has coordinates","274994","2022-05-05","20:38:25",""
"7244645","14.0026","0.0006","11.2217","0.0005","12.8398","0.0005","90","","102.468","0.001","90","","1969.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Eu2 N4 O28 -","- C28 H36 Eu2 N4 O28 -","- C56 H72 Eu4 N8 O56 -","2","0.5","","Kong, Ya-Jie; Hou, Guo-Zheng; Gong, Zhao-Ning; Zhao, Feng-Tan; Han, Li-Juan","Fluorescence detection of malachite green and cations (Cr3+, Fe3+ and Cu2+) by a europium-based coordination polymer","RSC Advances","2022","12","14","8435","8442","10.1039/D2RA00077F","","","0.71073","MoKα","","0.0169","0.0151","","","0.0406","0.0413","","","","","","0.996","","","","has coordinates","273769","2022-03-18","02:15:53",""
"7244646","10.869","0.013","11.422","0.013","14.735","0.017","107.96","0.02","110.49","0.02","94.3","0.03","1595","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N6 O6 Ru -","- C29 H36 Cl2 N6 O6 Ru -","- C58 H72 Cl4 N12 O12 Ru2 -","2","1","","Abate, Pedro O.; Peyrot, Analía M.; Fontrodona, Xavier; Romero, Isabel; Fagalde, Florencia; Katz, Néstor E.","New ruthenium polypyridyl complexes as potential sensors of acetonitrile and catalysts for water oxidation","RSC Advances","2022","12","14","8414","8422","10.1039/D1RA09455F","","","0.71076","MoKα","","0.0597","0.0445","","","0.1072","0.12","","","","","","1.057","","","","has coordinates","273770","2022-03-18","02:16:17",""
"7244647","10.024","0.0006","11.6716","0.0008","19.0849","0.0012","90","","90","","90","","2232.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H13 Au N3 P S -","- C7 H13 Au N3 P S -","- C56 H104 Au8 N24 P8 S8 -","8","1","","Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.","Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand","RSC Advances","2022","12","14","8466","8473","10.1039/D2RA00368F","","x-ray","0.71073","MoKα","","0.0176","0.0173","","","0.0464","0.0466","","","","","","1.104","","","","has coordinates","273771","2022-03-18","02:16:57",""
"7244648","20.087","0.002","17.9784","0.0017","12.3196","0.0011","90","","93.051","0.004","90","","4442.7","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22.5 Au2 F3 N3 O2.25 P2 S -","- C12 H22.5 Au2 F3 N3 O2.25 P2 S -","- C96 H180 Au16 F24 N24 O18 P16 S8 -","8","2","","Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.","Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand","RSC Advances","2022","12","14","8466","8473","10.1039/D2RA00368F","","x-ray","0.71073","MoKα","","0.0875","0.0561","","","0.1249","0.1424","","","","","","1.128","","","","has coordinates","273771","2022-03-18","02:16:58",""
"7244649","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H34 Cd3 N6 O9 -","- C60 H34 Cd3 N6 O9 -","- C120 H68 Cd6 N12 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0863","0.0849","","","0.2285","0.2315","","","","","","1.111","","","","has coordinates","273818","2022-03-18","23:36:43",""
"7244650","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C60 H34 Cd2 N6 O9 Zn -","- C60 H34 Cd2 N6 O9 Zn -","- C120 H68 Cd4 N12 O18 Zn2 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0612","0.0608","","","0.1793","0.1799","","","","","","1.174","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244651","18.20082","0.00011","18.20082","0.00011","16.58899","0.00013","90","","90","","90","","5495.43","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C58 H32 Cd3 N8 O9 -","- C58 H32 Cd3 N8 O9 -","- C116 H64 Cd6 N16 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0842","0.0813","","","0.214","0.2185","","","","","","1.133","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244652","19.6298","0.0012","20.2011","0.0012","20.3398","0.0011","82.881","0.002","78.746","0.002","87.263","0.002","7847.2","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C96 H84 Cl24 Cu16 N16 O50 Sc8 -","2","1","","Ding, Min; Wang, Qian; Cheng, Hongtao; Bai, Junfeng","Synthesis, structure and highly selective C3H8/CH4 and C2H6/CH4 adsorption of a (4,8)-c ternary flu-metal–organic framework based upon both [Sc4O2(COO)8] and [Cu4OCl6] clusters","CrystEngComm","2022","","","","","10.1039/D2CE00133K","","","1.54178","CuKα","","0.0837","0.0695","","","0.2168","0.2312","","","","","","1.066","","","","has coordinates","273819","2022-03-18","23:37:19",""
"7244653","11.4061","0.0011","8.1735","0.0008","18.7515","0.0017","90","","102.366","0.002","90","","1707.6","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-methyl-N-(3-tosylprop-1-en-1-yl)benzamide","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Li, Luan-Ying; Leng, Bo-Rong; Li, Jia-Zhuo; Liu, Qing-Quan; Yu, Jianguang; Wei, Ping; Wang, De-Cai; Zhu, Yi-Long","Palladium-catalyzed regioselective hydrosulfonylation of allenes with sulfinic acids","RSC Advances","2022","12","14","8443","8448","10.1039/D1RA09036D","","","0.71073","MoKα","","0.0911","0.0602","","","0.1523","0.1681","","","","","","1.055","","","","has coordinates","273825","2022-03-19","02:06:08",""
"7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08",""
"7244655","9.6059","0.0003","17.2348","0.0006","23.4133","0.0008","90","","100.209","0.001","90","","3814.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 K N4 -","- C46 H48 K N4 -","- C184 H192 K4 N16 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0646","0.0447","","","0.0978","0.1068","","","","","","1.015","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244656","18.7293","0.0011","12.8174","0.0008","19.6609","0.0012","90","","103.238","0.002","90","","4594.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N6 Na -","- C56 H56 N6 Na -","- C224 H224 N24 Na4 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0707","0.0482","","","0.1012","0.1112","","","","","","1.044","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244657","9.9723","0.0009","12.5561","0.0012","5.5731","0.0006","90","","92.159","0.003","90","","697.33","0.12","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H4 Ag N5 O5 -","- C2 H4 Ag N5 O5 -","- C8 H16 Ag4 N20 O20 -","4","1","","Wang, Ting-wei; Zhang, Lu; Yi, Zhen-xin; Cao, Wen-li; Dong, Wen-shuai; Zhu, Shun-guan; Zhang, Jian-guo","New synthesis method for urazine and dissolution-crystallization of its Ag(i)-based laser energetic coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00182A","","","0.71073","MoKα","","0.0526","0.0523","","","0.1385","0.1389","","","","","","1.085","","","","has coordinates","273880","2022-03-21","23:40:43",""
"7244658","8.6009","0.0005","10.6365","0.0007","13.6233","0.0009","95.201","0.005","95.934","0.005","107.575","0.005","1171.97","0.13","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N6 O2 S2 -","- C22 H22 N6 O2 S2 -","- C44 H44 N12 O4 S4 -","2","1","","Maganti, Lakshmi Haritha Bharathi; Ramesh, Deepthi; Vijayakumar, Balaji Gowrivel; Khan, Mohd Imran K.; Dhayalan, Arunkumar; Kamalraja, Jayabal; Kannan, Tharanikkarasu","Acetylene containing 2-(2-hydrazinyl)thiazole derivatives: design, synthesis, and in vitro and in silico evaluation of antimycobacterial activity against Mycobacterium tuberculosis","RSC Advances","2022","12","14","8771","8782","10.1039/D2RA00928E","","","0.71073","MoKα","","0.0782","0.0435","","","0.0926","0.1023","","","","","","0.981","","","","has coordinates","273884","2022-03-22","02:09:36",""
"7244659","10.6038","0.0007","9.9316","0.0007","16.1177","0.0011","90","","93.716","0.007","90","","1693.8","0.2","298","2","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C72 H56 N16 O4 S4 -","4","1","","Maganti, Lakshmi Haritha Bharathi; Ramesh, Deepthi; Vijayakumar, Balaji Gowrivel; Khan, Mohd Imran K.; Dhayalan, Arunkumar; Kamalraja, Jayabal; Kannan, Tharanikkarasu","Acetylene containing 2-(2-hydrazinyl)thiazole derivatives: design, synthesis, and in vitro and in silico evaluation of antimycobacterial activity against Mycobacterium tuberculosis","RSC Advances","2022","12","14","8771","8782","10.1039/D2RA00928E","","","0.71073","MoKα","","0.0582","0.0444","","","0.117","0.1287","","","","","","1.033","","","","has coordinates","273884","2022-03-22","02:09:37",""
"7244660","6.9856","0.0004","12.2954","0.0005","19.7434","0.0009","90","","90","","90","","1695.78","0.14","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Eu K2 O8 P W -","- Eu K2 O8 P W -","- Eu8 K16 O64 P8 W8 -","8","0.5","","Terebilenko, Kateryna V.; Chornii, Vitalii P.; Zozulia, Valeriіa O.; Gural'skiy, Il'ya A.; Shova, Sergiu G.; Nedilko, Serhii G.; Slobodyanik, Mykola S.","Crystal growth, layered structure and luminescence properties of K2Eu(PO4)(WO4)","RSC Advances","2022","12","15","8901","8907","10.1039/D2RA00932C","","x-ray","0.71073","MoKα","","0.0413","0.0326","","","0.0799","0.087","","","","","","1.084","","","","has coordinates","273913","2022-03-23","02:13:30",""
"7244661","16.7204","0.0007","31.9354","0.0013","32.9423","0.0013","104.02","0.002","103.807","0.002","99.65","0.002","16091.7","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0755","0.0428","","","0.1008","0.1148","","","","","","1.03","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244662","16.9191","0.0007","32.0586","0.0013","33.1404","0.0013","104.141","0.002","103.764","0.002","99.321","0.002","16461.5","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0797","0.0437","","","0.1098","0.1307","","","","","","1.019","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244663","7.1957","0.001","12.0448","0.0013","10.685","0.002","90","","101.652","0.015","90","","907","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro{N1,N1-dimethyl-N2-[(1R,2S,3R,4S)-2-oxy-1,7,7- trimethylbicyclo[2.2.1]heptane -3-yl]ethane-1,2-diamine-N1,N2,O}copper(II)","","- C14 H28 Cl2 Cu N2 O -","- C14 H28 Cl2 Cu N2 O -","- C28 H56 Cl4 Cu2 N4 O2 -","2","1","","Gur'eva, Yana A.; Zalevskaya, Olga A.; Shevchenko, Oksana G.; Slepukhin, Pavel A.; Makarov, Vadim A.; Kuchin, Aleksandr V.","Copper(ii) complexes with terpene derivatives of ethylenediamine: synthesis, and antibacterial, antifungal and antioxidant activity","RSC Advances","2022","12","15","8841","8851","10.1039/D2RA00223J","","x-ray","0.71073","MoKα","","0.1501","0.0985","","","0.2429","0.3056","","","","","","1.028","","","","has coordinates","273948","2022-03-24","02:14:44",""
"7244664","9.1359","0.0003","10.8744","0.0003","12.1839","0.0002","83.076","0.002","88.393","0.002","84.055","0.002","1195","0.06","149.98","0.1","149.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C58 H48 O10 -","2","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","x-ray","1.54184","CuKα","","0.0558","0.051","","","0.1428","0.1498","","","","","","1.0271","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244665","12.0593","0.0007","16.1161","0.001","20.7106","0.0009","90","","90","","90","","4025.1","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H20 O6 -","- C23 H20 O6 -","- C184 H160 O48 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","1.3414","GaKα","","0.0804","0.067","","","0.1843","0.2027","","","","","","1.07","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244666","16.277","0.003","14.959","0.003","19.366","0.004","90","","90","","90","","4715.4","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.1053","0.0931","","","0.1925","0.2006","","","","","","1.004","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244667","20.333","0.004","6.4811","0.0013","35.365","0.007","90","","90","","90","","4660.4","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","2","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.0738","0.0592","","","0.1427","0.1542","","","","","","1.119","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244668","17.347","0.002","10.9004","0.0012","19.96","0.002","90","","99.553","0.004","90","","3721.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu2 N4 O13 -","- C40 H36 Cu2 N4 O13 -","- C160 H144 Cu8 N16 O52 -","4","1","","Zhang, Ya-Qian; Xu, Ning; Liu, Yu; Zhang, Xiao-Sa; Li, Wen-Ze; Zhao, Hong-Tian; Luan, Jian","Synthesis of a 2D Cu@TiO2 composite via the design of a 1D Cu-based coordination polymer precursor for efficient and selective photodegradation of dyes","RSC Advances","2022","12","15","9363","9372","10.1039/D1RA09309F","","","0.71073","MoKα","","0.0614","0.0377","","","0.1034","0.1158","","","","","","1.02","","","","has coordinates,has disorder","273963","2022-03-25","02:18:07",""
"7244669","16.9777","0.001","4.0424","0.0002","18.0441","0.0011","90","","93.412","0.002","90","","1236.18","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IDIF","Iododiflunisal","","- C13 H7 F2 I O3 -","- C13 H7 F2 I O3 -","- C52 H28 F8 I4 O12 -","4","1","","Barbas, Rafael; Font-Bardia, Merce; Ballesteros, Alfredo; Arsequell, Gemma; Prohens, Rafel; Frontera, Antonio","Static discrete disorder in the crystal structure of Iododiflunisal: On the Importance of Hydrogen Bond, Halogen Bond and π-Stacking Interactions","CrystEngComm","2022","","","","","10.1039/D2CE00202G","","","0.71073","MoKα","","0.0394","0.0352","","","0.0908","0.0956","","","","","","1.08","","","","has coordinates,has disorder","274011","2022-03-25","23:39:45",""
"7244670","6.3843","0.0011","7.1053","0.0012","15.724","0.003","90","","100.963","0.007","90","","700.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-3-((4-bromophenyl)amino)-1-phenylbut-2-en-1-one","","- C16 H14 Br N O -","- C16 H14 Br0.5 N O -","- C32 H28 Br N2 O2 -","2","0.5","","Goh, Jeffrey; Ong, Seng Kheong; Tan, Yan Sheng; Loh, Teck-Peng","Catalyst-free C–N bond formation under biocompatible reaction conditions","Green Chemistry","2022","24","8","3321","3325","10.1039/D2GC00027J","","x-ray","0.71073","MoKα","","0.0415","0.0298","","","0.0621","0.066","","","","","","1.042","","","","has coordinates,has disorder","274982","2022-05-05","20:36:23",""
"7244671","27.2898","0.001","7.681","0.0003","16.4376","0.0006","90","","98.219","0.004","90","","3410.1","0.2","113.15","","113.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C152 H176 O48 -","8","1","","Cui, Yi; Lv, Jiayuan; Song, Tianhang; Ren, Jun; Wang, Zhongwen","Highly efficient construction of an oxa-[3.2.1]octane-embedded 5–7–6 tricyclic carbon skeleton and ring-opening of the bridged ring via C–O bond cleavage","RSC Advances","2022","12","16","9519","9523","10.1039/D2RA01315K","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.1145","0.1273","","","","","","1.025","","","","has coordinates","274016","2022-03-26","02:10:26",""
"7244672","14.5014","0.0016","13.1843","0.0015","24.596","0.003","90","","99.374","0.004","90","","4639.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Br4 N4 O8 -","- C48 H48 Br4 N4 O8 -","- C192 H192 Br16 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0505","0.0465","","","0.1389","0.1421","","","","","","1.069","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244673","9.8012","0.0003","15.8268","0.0004","18.8202","0.0004","87.366","0.002","80.576","0.002","72.004","0.002","2739.09","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 Br9 N4 O8 -","- C55 H47 Br9 N4 O8 -","- C110 H94 Br18 N8 O16 -","2","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54184","CuKα","","0.0899","0.0859","","","0.2184","0.2232","","","","","","1.051","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244674","10.3961","0.0012","11.9472","0.0013","14.8227","0.0016","101.231","0.003","104.003","0.003","93.302","0.003","1741.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","1","0.5","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0488","0.0474","","","0.121","0.122","","","","","","1.111","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244675","24.0138","0.001","7.958","0.0003","27.4313","0.0012","90","","98.369","0.002","90","","5186.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H49.5 Cl4.5 N4 O10 -","- C57.5 H49.5 Cl4.5 N4 O10 -","- C230 H198 Cl18 N16 O40 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1018","0.064","","","0.1633","0.1796","","","","","","1.035","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244676","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56.67 I N4 O8.33 -","- C51 H56.67 I N4 O8.33 -","- C204 H226.68 I4 N16 O33.32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1121","0.107","","","0.4024","0.4062","","","","","","2.153","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244677","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 I N4 O8 -","- C45 H43 I N4 O8 -","- C180 H172 I4 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0489","0.0448","","","0.1505","0.1586","","","","","","1.095","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244678","20.3983","0.0008","8.668","0.0003","14.0946","0.0006","90","","125.998","0.002","90","","2016.2","0.15","301","2","301","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","Yuan, Zhenbo; Lu, Liushen; Liu, Meiling; Liu, Xuanzhong; Liu, Changmei; Yin, Dejing; Zhang, Yan; Rao, Yijian","Natural product cercosporin as a bioinspired photocatalyst for the synthesis of peptides containing kynurenine via an energy transfer mechanism","Green Chemistry","2022","24","8","3277","3283","10.1039/D2GC00116K","","","1.54178","CuKα","","0.062","0.0596","","","0.1787","0.1829","","","","","","1.179","","","","has coordinates","274986","2022-05-05","20:37:02",""
"7244679","9.762","0.002","13.32","0.003","23.532","0.006","90","","90","","90","","3059.9","1.2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N24 O26 -","- C13 H14 N24 O26 -","- C52 H56 N96 O104 -","4","0.5","","Sun, Shanhu; Wang, Zhiqiang; Zhang, Haobin; Song, Xiaomin; Jin, Dengyu; Xu, Jinjiang; Sun, Jie","Host-guest Energetic Materials: a Promising Strategy of Incorporating Small Insensitive Molecule into the Lattice Cavities of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurtzitane to Enhance the Safety on the Premise of Maintaining the Excellent Energy Density","CrystEngComm","2022","","","","","10.1039/D2CE00199C","","","0.71073","MoKα","","0.0695","0.0518","","","0.1236","0.1346","","","","","","1.037","","","","has coordinates,has disorder","274139","2022-03-30","22:40:30",""
"7244680","7.375","0.002","12.029","0.003","13.589","0.003","108.408","0.009","94.844","0.009","93.191","0.011","1135.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C40 H44 N12 O14 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0641","0.0468","","","0.1263","0.1378","","","","","","1.038","","","","has coordinates","274140","2022-03-30","22:42:09",""
"7244681","5.4023","0.0008","23.533","0.004","18.032","0.003","90","","93.805","0.006","90","","2287.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C80 H88 N24 O28 S4 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0985","0.0689","","","0.1737","0.1931","","","","","","1.111","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244682","9.2845","0.0006","10.2816","0.0005","21.5213","0.0013","95.205","0.005","90.068","0.005","103.897","0.005","1985.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 I N6 O5 S2 -","- C32 H49 I N6 O5 S2 -","- C64 H98 I2 N12 O10 S4 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1117","0.0624","","","0.1328","0.1639","","","","","","1.093","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244683","25.35","0.05","5.0173","0.0008","17.801","0.008","90","","105.4","0.11","90","","2183","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 O6 S3 -","- C18 H19 N5 O6 S3 -","- C72 H76 N20 O24 S12 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1484","0.0721","","","0.1516","0.2107","","","","","","1.015","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244684","6.62","0.004","17.561","0.011","19.335","0.011","90","","98.96","0.02","90","","2220","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N6 O6 S2 -","- C19 H20 N6 O6 S2 -","- C76 H80 N24 O24 S8 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0939","0.049","","","0.1348","0.1764","","","","","","1.081","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244685","8.756","0.002","11.006","0.003","19.951","0.005","76.116","0.008","84.901","0.009","69.801","0.008","1751.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 N6 O6 S -","- C33 H50 N6 O6 S -","- C66 H100 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0742","0.0586","","","0.1509","0.1687","","","","","","1.068","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244686","9.4076","0.0013","9.9862","0.0012","24.181","0.003","101.513","0.004","90.566","0.005","104.734","0.004","2148.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 I N6 O6 S -","- C37 H59 I N6 O6 S -","- C74 H118 I2 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1033","0.0528","","","0.1446","0.1807","","","","","","1.026","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244687","12.3974","0.0009","17.3988","0.0015","23.2772","0.0017","68.343","0.003","81.611","0.003","89.765","0.003","4609.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1575","0.1035","","","0.2444","0.2736","","","","","","1.058","","","","has coordinates,has disorder","274178","2022-03-31","22:33:17",""
"7244688","41.7833","0.0006","13.6224","0.0002","17.4061","0.0003","90","","110.909","0.0007","90","","9254.9","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Apalutamide-1,4-dioxane-2:1","","","- C46 H38 F8 N10 O6 S2 -","- C46 H38 F8 N10 O6 S2 -","- C368 H304 F64 N80 O48 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1245","0.0832","","","0.1806","0.201","","","","","","1.063","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244689","19.3859","0.0008","16.1915","0.0003","7.3833","0.0001","90","","90.171","0.005","90","","2317.51","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-2-butanol-1:0.5","","","- C46 H40 F8 N10 O5 S2 -","- C46 H40 F8 N10 O5 S2 -","- C92 H80 F16 N20 O10 S4 -","2","0.5","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0737","0.0589","","","0.1313","0.1357","","","","","","1.163","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244690","16.568","0.01","37.54","0.02","7.364","0.005","90","","90","","90","","4580","5","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Apalutamide-Ethanol-2:1","","","- C44 H36 F8 N10 O5 S2 -","- C44 H36 F8 N10 O5 S2 -","- C176 H144 F32 N40 O20 S8 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1207","0.0704","","","0.1782","0.2143","","","","","","1.034","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244691","8.9856","0.0004","15.2222","0.0006","16.9653","0.0007","90","","90","","90","","2320.52","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Apalutamide-Acetonitrile-1:1","","","- C23 H18 F4 N6 O2 S -","- C23 H18 F4 N6 O2 S -","- C92 H72 F16 N24 O8 S4 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0294","0.0269","","","0.0695","0.0707","","","","","","1.051","","","","has coordinates","274178","2022-03-31","22:33:19",""
"7244692","25.2912","0.0007","12.4809","0.0004","17.6369","0.0005","90","","108.109","0.001","90","","5291.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-Cyclohexanone-1:1","","","- C27 H25 F4 N5 O3 S -","- C27 H25 F4 N5 O3 S -","- C216 H200 F32 N40 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1513","0.0767","","","0.135","0.1567","","","","","","1.041","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244693","43.7534","0.0014","12.7915","0.0005","17.9103","0.0006","90","","113.481","0.001","90","","9193.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H36 F8 N10 O5 S2 -","- C45.001 H36 F8 N10.001 O5 S2 -","- C360.008 H288 F64 N80.008 O40 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1004","0.0631","","","0.1248","0.1388","","","","","","1.043","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244694","22.5794","0.0015","13.3362","0.0007","18.2192","0.0011","90","","90.944","0.002","90","","5485.5","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-dimethylacetamide-1:1","","","- C25 H24 F4 N6 O3 S -","- C25 H24 F4 N6 O3 S -","- C200 H192 F32 N48 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1064","0.0624","","","0.1424","0.1671","","","","","","1.044","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244695","17.3059","0.0019","12.222","0.0013","47.409","0.005","90","","90","","90","","10027.6","1.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 F4 N6 O3 S -","- C24 H23 F4 N6 O3 S -","- C384 H368 F64 N96 O48 S16 -","16","4","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1025","0.0698","","","0.1421","0.1567","","","","","","1.06","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244696","12.3588","0.0011","17.3486","0.0015","23.177","0.002","68.252","0.005","81.67","0.005","89.735","0.005","4560.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Apalutamide-Dimethylformamaide-2:1","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.117","0.0816","","","0.1779","0.1932","","","","","","1.117","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244697","17.7813","0.0006","13.014","0.0004","18.4676","0.0006","90","","100.884","0.0011","90","","4196.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F4 N5 O2 S -","- C21 H15 F4 N5 O2 S -","- C168 H120 F32 N40 O16 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0552","0.0432","","","0.1013","0.1078","","","","","","1.031","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244698","12.175","0.0003","15.5498","0.0005","12.6033","0.0003","90","","105.706","0.0008","90","","2296.95","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H46 Co2 N8 O13 S -","- C45 H46 Co2 N8 O13 S -","- C90 H92 Co4 N16 O26 S2 -","2","1","","Zhao, Yanzhu; Zhu, Peizhi; Pan, Lingwei; Xie, Yiqing; Ng, Seik Weng; Zhang, Kou-Lin","Preparation and Characterization of a Newly Constructed Multifunctional Co(II)-organic Framework: Proton Conduction and Adsorption of Congo Red in Aqueous Medium","CrystEngComm","2022","","","","","10.1039/D2CE00330A","","","0.71073","MoKα","","0.1134","0.0517","","","0.0972","0.1177","","","","","","0.994","","","","has coordinates,has disorder","274179","2022-03-31","22:34:32",""
"7244699","6.88","0.0014","11.9","0.002","15.69","0.003","109.77","0.03","100.53","0.03","96.7","0.03","1166.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.044","0.0435","","","0.1279","0.1283","","","","","","1.058","","","","has coordinates","274181","2022-03-31","22:37:48",""
"7244700","42.6882","0.0013","14.5716","0.0006","26.9781","0.0012","90","","90","","90","","16781.3","1.1","122.99","0.11","122.99","0.11","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C44 H44.73 Cu2.4 N4 O16.8 -","- C44 H44.5667 Cu2.4 N4 O16.8 -","- C528 H534.8 Cu28.8 N48 O201.6 -","12","1.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.2532","0.1797","","","0.4363","0.4904","","","","","","1.488","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244701","9.43","0.0019","9.79","0.002","21.43","0.004","83.42","0.03","80.88","0.03","78.36","0.03","1906.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cl N2 O19 -","- C39 H41 Cl N2 O19 -","- C78 H82 Cl2 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0726","0.0628","","","0.1855","0.2104","","","","","","1.09","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244702","26.67","0.004","26.67","0.004","25.93","0.005","90","","90","","90","","18444","5","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C38 H32 Cu2 N2 O18 -","- C38 H32 Cu2 N2 O18 -","- C304 H256 Cu16 N16 O144 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0728","0.0367","","","0.0953","0.1089","","","","","","0.907","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244703","10.17","0.002","11.05","0.002","14.24","0.003","95.2","0.03","106.95","0.03","96.48","0.03","1508.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0749","0.0739","","","0.1993","0.2002","","","","","","1.122","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244704","8.683","0.0017","22.176","0.004","11.103","0.002","90","","108.05","0.03","90","","2032.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 N2 O16 -","- C42 H40 Cl2 N2 O16 -","- C84 H80 Cl4 N4 O32 -","2","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0475","0.0432","","","0.116","0.1192","","","","","","1.063","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244705","16.868","0.003","25.914","0.005","28.838","0.006","90","","90","","90","","12606","4","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H37 Cd2.5 N3 O17.5 -","- C40 H37 Cd2.5 N3 O17.5 -","- C320 H296 Cd20 N24 O140 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0329","0.0328","","","0.0924","0.0925","","","","","","1.031","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244706","29.643","0.006","18.639","0.004","27.125","0.005","90","","90","","90","","14987","5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C45 H40 Cu3 N3 O22.25 -","- C45 H40 Cu3 N3 O22.25 -","- C360 H320 Cu24 N24 O178 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0961","0.0746","","","0.2286","0.2501","","","","","","1.044","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244707","20.7302","0.0003","30.3248","0.0003","17.7067","0.0002","90","","90","","90","","11131.1","0.2","123","2","123","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C340 H388 Cd24 Cl8 N28 O224 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","","","0.0804","0.0767","","","0.2163","0.2203","","","","","","1.047","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244708","8.722","0.0017","12.251","0.003","13.899","0.003","87.58","0.03","86.25","0.03","77.23","0.03","1444.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0613","0.0596","","","0.1906","0.1939","","","","","","1.125","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244709","12.275","0.003","18.185","0.004","21.541","0.004","101.01","0.03","100.5","0.03","93.31","0.03","4619.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu3 N2 O19 -","- C42 H36 Cu3 N2 O19 -","- C84 H72 Cu6 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.1241","0.1042","","","0.3013","0.3169","","","","","","1.257","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244710","14.6827","0.0009","18.5378","0.0005","21.3961","0.0005","73.768","0.002","71.193","0.004","87.559","0.004","5285.8","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48.5 Cu4 N3.5 O21 -","- C45 H48.5 Cu4 N3.5 O21 -","- C90 H97 Cu8 N7 O42 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.1528","0.1365","","","0.3768","0.3896","","","","","","1.482","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244711","7.03","0.0014","10.433","0.002","16.113","0.003","103.76","0.03","97.8","0.03","107.12","0.03","1069.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0771","0.0529","","","0.1297","0.1436","","","","","","1.043","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244712","20.934","0.004","31.398","0.006","13.458","0.003","90","","90","","90","","8846","3","100","2","100","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C160 H118 Cl2 Cu16 N10 O80 -","4","0.25","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0567","0.0529","","","0.1812","0.1868","","","","","","1.136","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244713","25.731","0.005","26.455","0.005","26.552","0.005","90","","113.93","0.03","90","","16521","7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H25 Cu3.5 N2 O19 -","- C38 H25 Cu3.5 N2 O19 -","- C304 H200 Cu28 N16 O152 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.1713","0.1391","","","0.3889","0.4252","","","","","","1.427","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244714","6.5529","0.0001","7.7286","0.0001","27.9324","0.0002","90","","93.449","0.001","90","","1412.07","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Benzylsulfonyl)-1-(4-nitrophenyl)ethan-1-one","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C60 H52 N4 O20 S4 -","4","1","","Chikunova, Elena I.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Atom-economic synthesis of β-ketosulfones based on gold-catalyzed highly regioselective hydration of alkynylsulfones","Green Chemistry","2022","24","8","3314","3320","10.1039/D2GC00541G","","","1.54184","CuKα","","0.0331","0.0319","","","0.0867","0.0878","","","","","","1.088","","","","has coordinates","274984","2022-05-05","20:36:36",""
"7244715","11.1683","0.0005","9.4026","0.0004","16.7625","0.0009","90","","95.079","0.005","90","","1753.34","0.14","303.84","0.1","303.84","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br N O3 S -","- C17 H18 Br N O3 S -","- C68 H72 Br4 N4 O12 S4 -","4","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Jiang, Yu-Zhen; Wang, Ai-Lian; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Zheng, Haixue; Xu, Peng-Fei","Organophotoredox catalytic four-component radical-polar crossover cascade reactions for the stereoselective synthesis of β-amido sulfones","Green Chemistry","2022","24","8","3120","3124","10.1039/D2GC00224H","","x-ray","0.71073","MoKα","","0.097","0.0563","","","0.1118","0.1262","","","","","","1.025","","","","has coordinates","274983","2022-05-05","20:36:30",""
"7244716","9.1792","0.0003","9.1792","0.0003","21.9776","0.001","90","","90","","120","","1603.69","0.1","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H36 Bi2 Cl11 N3 -","- C12 H36 Bi2 Cl11.0004 N3 -","- C24 H72 Bi4 Cl22.0008 N6 -","2","0.0833333","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Kolesov, Boris A.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","Dichlorine-containing chlorobismuthate(III) supramolecular hybrid: structure and experimental studies of stability","CrystEngComm","2022","","","","","10.1039/D2CE00210H","","","0.71073","MoKα","","0.0612","0.0609","","","0.1409","0.1411","","","","","","1.449","","","","has coordinates,has disorder","274362","2022-04-05","22:50:29",""
"7244717","14.783","0.004","12.746","0.002","16.051","0.003","90","","107.908","0.006","90","","2877.9","1.1","296","2","296","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Br4 Cd N2 O2 -","- C24 H26 Br4 Cd N4 O2 -","- C96 H104 Br16 Cd4 N16 O8 -","4","1","","Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Abd El-Fattah, Wesam; Ben Hamadi, Naoufel; Naïli, Houcine","Organically tuned white-light emission from two zero-dimensional Cd-based hybrids","RSC Advances","2022","12","17","10431","10442","10.1039/D1RA08953F","","x-ray","0.71073","MoKα","","0.0909","0.0388","","","0.064","0.0776","","","","","","0.974","","","","has coordinates","274367","2022-04-06","01:27:22",""
"7244718","6.4839","0.0005","10.5895","0.0008","20.8436","0.0015","90","","90","","90","","1431.15","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N7 O10 -","- C9 H5 N7 O10 -","- C36 H20 N28 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0301","0.0275","","","0.0703","0.0722","","","","","","1.035","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244719","6.7852","0.0017","11.054","0.003","20.043","0.005","90","","90","","90","","1503.3","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N8 O10 -","- C9 H6 N8 O10 -","- C36 H24 N32 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0838","0.0399","","","0.0921","0.1144","","","","","","1.037","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244720","9.2333","0.0005","10.1635","0.0008","14.3186","0.0005","79.464","0.005","74.926","0.004","64.319","0.006","1165.49","0.13","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","1","0.5","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.0757","0.0679","","","0.209","0.2304","","","","","","1.064","","","","has coordinates","274405","2022-04-06","22:35:03",""
"7244721","13.5956","0.0005","14.9312","0.0005","20.3151","0.0007","93.9774","0.0015","95.1157","0.0014","100.33","0.0015","4025.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H100 N4 O28 Ti8 -","- C64 H100 N4 O28 Ti8 -","- C128 H200 N8 O56 Ti16 -","2","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0684","0.0477","","","0.1256","0.1416","","","","","","1.019","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244722","12.5281","0.0011","30.0488","0.0017","10.1629","0.0009","90","","110.549","0.011","90","","3582.4","0.6","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O13 Ti3 -","- C32 H32 N2 O13 Ti3 -","- C128 H128 N8 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.1382","0.0692","","","0.1564","0.2034","","","","","","0.988","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244723","11.867","0.0003","21.1077","0.0005","18.0596","0.0004","90","","106.668","0.0009","90","","4333.59","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N3 O13 Ti3 -","- C41 H39 N3 O13 Ti3 -","- C164 H156 N12 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0472","0.0342","","","0.0883","0.0971","","","","","","1.037","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244724","13.6916","0.0007","14.6046","0.0009","14.21","0.0008","90","","101.132","0.005","90","","2788","0.3","137","1","137","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N3 O8 Ti2 -","- C27 H29 N3 O8 Ti2 -","- C108 H116 N12 O32 Ti8 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.09","0.0627","","","0.1601","0.1901","","","","","","1.06","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244725","11.5289","0.0001","15.1039","0.0001","26.5225","0.0001","90","","90","","90","","4618.4","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0221","0.0203","","","0.0491","0.0498","","","","","","1.031","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244726","11.5288","0.0001","15.0909","0.0001","26.5164","0.0002","90","","90","","90","","4613.32","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0456","0.0444","","","0.1202","0.1213","","","","","","1.068","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244727","11.1809","0.0001","15.0036","0.0001","25.5061","0.0001","90","","90","","90","","4278.74","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 N4 O16 Zn3 -","- C44 H37 N4 O16 Zn3 -","- C176 H148 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0325","0.0311","","","0.0757","0.0761","","","","","","1.072","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244728","11.1793","0.0001","15.0014","0.0002","25.5008","0.0002","90","","90","","90","","4276.62","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N4 O16 Zn3 -","- C44 H40 N4 O16 Zn3 -","- C176 H160 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0385","0.0361","","","0.0889","0.0906","","","","","","1.026","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244729","34.4367","0.0018","4.3516","0.0002","28.1754","0.0015","90","","90","","90","","4222.2","0.4","150","","150","","","","","","","","synthesized","3","P c a 21","P 2c -2ac","29","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C184 H152 N56 -","8","2","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","1.54184","CuKα","","0.0999","0.0844","","0.2416","0.2219","0.241","","","","","","1.0025","","","","has coordinates","274418","2022-04-07","22:37:05",""
"7244730","13.6171","0.0005","18.4028","0.0006","12.9206","0.0006","90","","115.024","0.005","90","","2933.9","0.2","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C112 H102.4 Br1.6 I8 N28 O13.6 S2.4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","MoKα","","0.0754","0.0681","","0.1445","0.1398","0.1445","","","","","","1.1305","","","","has coordinates,has disorder","274418","2022-04-07","22:37:05",""
"7244731","6.991","0.0014","24.531","0.005","30.593","0.006","90","","92.77","0.03","90","","5240.5","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N14 O -","- C53 H46 Cl2 N14 O -","- C212 H184 Cl8 N56 O4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","Synchrotron","","0.121","0.0814","","","0.2245","0.2577","","","","","","1.027","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244732","16.12","0.003","13.851","0.003","15.928","0.003","90","","113.96","0.03","90","","3249.9","1.3","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N7 O4 S -","- C25 H36 N7 O4 S -","- C100 H144 N28 O16 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.1528","0.1348","","0.2402","0.2363","0.24","","","","","","0.7884","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244733","13.546","0.003","18.552","0.002","12.799","0.002","90","","114.375","0.01","90","","2929.8","0.9","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 I2 N7 O5 S -","- C28 H26 I2 N7 O5 S -","- C112 H104 I8 N28 O20 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.0687","0.064","","0.1661","0.1619","0.1661","","","","","","1.0018","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244734","16.037","0.003","20.726","0.004","8.525","0.0017","90","","101.95","0.03","90","","2772.2","1","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl I2 N7 O0.5 -","- C27 H22 Cl I2 N7 O0.5 -","- C108 H88 Cl4 I8 N28 O2 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.0407","0.0397","","0.1215","0.1206","0.1215","","","","","","1.0079","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244735","18.483","0.004","18.604","0.004","18.986","0.004","87.77","0.03","61.09","0.03","87.55","0.03","5708","3","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H92 N28 O8 S2 -","- C117 H92 N28 O8 S2 -","- C234 H184 N56 O16 S4 -","2","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.1964","0.1098","","0.3633","0.2669","0.3629","","","","","","0.9944","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244736","16.0672","0.0003","17.0707","0.0003","32.9542","0.0003","80.8164","0.001","82.7276","0.001","63.1499","0.0017","7945.6","0.2","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C162 H128 Au11 F12 P8 Sb -","- C162 H128 Au11 F12 P8 Sb -","- C324 H256 Au22 F24 P16 Sb2 -","2","1","","Gao, Yan-Li; Bi, Shiqing; Wang, Yufei; Li, Jian; Su, Ting; Gao, Xuchun","Co-ligand triphenylphosphine/alkynyl-stabilized undecagold nanocluster with a capped crown structure","RSC Advances","2022","12","18","11047","11051","10.1039/D2RA01080A","","","1.54184","CuKα","","0.0748","0.065","","","0.176","0.1851","","","","","","1.03","","","","has coordinates,has disorder","274424","2022-04-08","01:13:03",""
"7244737","9.996","0.002","14.546","0.002","17.271","0.004","90","","90","","90","","2511.2","0.8","300","2","300","2","","","","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","","[(Di-tert-butylphosphanyl)ethylcyclopentadienyl-P] (hydrido)(diphenylsilyl)cobalt(III)","","- C27 H38 Co P Si -","- C27 H38 Co P Si -","- C108 H152 Co4 P4 Si4 -","4","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","","0.71073","MoKα","","0.0573","0.0331","","0.0586","","0.0564","","","1.102","","","1.295","","","","has coordinates","274425","2022-04-08","01:14:27",""
"7244738","9.4018","0.0004","9.7068","0.0005","16.7103","0.0009","79.588","0.004","76.006","0.004","88.447","0.004","1455.16","0.13","120.15","","120.15","","","","","","","","","5","P -1","-P 1","2","","3-butyl-2,4-dichloro-1,5-bis(methylsulfinyl)benzene","","- C24 H32 Cl4 O4 S4 -","- C24 H32 Cl4 O4 S4 -","- C48 H64 Cl8 O8 S8 -","2","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0487","0.0466","","","0.1213","0.1237","","","","","","1.088","","","","has coordinates","274425","2022-04-08","01:14:28",""
"7244739","13.2924","0.0003","6.2675","0.0001","27.5289","0.0007","90","","99.973","0.002","90","","2258.78","0.09","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51.26 H40.3 S10 -","- C51.266 H40.304 S10 -","- C102.532 H80.608 S20 -","2","0.5","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0367","0.0332","","","0.086","0.0883","","","","","","1.062","","","","has coordinates,has disorder","274425","2022-04-08","01:14:28",""
"7244740","10.4234","0.0005","10.8106","0.0005","11.3323","0.0003","93.809","0.003","104.307","0.004","118.489","0.005","1061.75","0.1","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S5 -","- C22 H16 S5 -","- C44 H32 S10 -","2","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0381","0.0326","","","0.082","0.0849","","","","","","1.041","","","","has coordinates","274425","2022-04-08","01:14:31",""
"7244741","9.1703","0.0002","14.5677","0.0003","22.803","0.0005","90","","99.171","0.002","90","","3007.32","0.11","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-butyl-2,4-dichloro-1,5-bis(methylsulfinyl)benzene","","- C24 H32 Cl4 O4 S4 -","- C24 H32 Cl4 O4 S4 -","- C96 H128 Cl16 O16 S16 -","4","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0746","0.0695","","","0.1934","0.2002","","","","","","1.054","","","","has coordinates","274425","2022-04-08","01:14:42",""
"7244742","9.6067","0.0003","11.3115","0.0002","11.6687","0.0002","76.325","0.002","78.743","0.002","88.93","0.002","1207.84","0.05","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 S5 -","- C56 H44 S10 -","- C56 H44 S10 -","1","0.5","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0391","0.038","","","0.0933","0.0942","","","","","","1.096","","","","has coordinates","274425","2022-04-08","01:14:43",""
"7244743","11.4465","0.0008","15.6595","0.0016","16.0158","0.001","61.528","0.006","71.074","0.005","68.526","0.007","2308.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H76 Li O6 P3 -","- C41 H76 Li O6 P3 -","- C82 H152 Li2 O12 P6 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.091","0.0468","","","0.1065","0.1179","","","","","","0.967","","","","has coordinates","274426","2022-04-08","01:16:00",""
"7244744","11.8649","0.0003","12.6361","0.0004","15.6655","0.0004","90","","90","","90","","2348.67","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 P2 -","- C23 H40 P2 -","- C92 H160 P8 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.0489","0.0364","","","0.0784","0.0828","","","","","","1.046","","","","has coordinates","274426","2022-04-08","01:16:07",""
"7244745","12.1986","0.0005","19.21","0.0008","20.5903","0.0009","115.094","0.003","100.381","0.003","98.093","0.003","4168.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Li2 O6 P6 -","- C84 H118 Li2 O6 P6 -","- C168 H236 Li4 O12 P12 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.1587","0.0836","","","0.2091","0.2549","","","","","","1.026","","","","has coordinates","274426","2022-04-08","01:16:10",""
"7244746","9.032","0.0003","6.2712","0.0003","21.3774","0.0009","90","","99.42","0.004","90","","1194.52","0.09","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-3-thiomorpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O2 S -","- C11 H13 B F N O2 S -","- C44 H52 B4 F4 N4 O8 S4 -","4","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0572","0.0413","","","0.0956","0.1048","","","","","","1.029","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244747","6.1181","0.0003","9.4155","0.0004","10.1914","0.0004","99.383","0.003","100.605","0.004","91.22","0.004","568.53","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Fluoro-3-morpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O3 -","- C11 H13 B F N O3 -","- C22 H26 B2 F2 N2 O6 -","2","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0435","0.0338","","","0.0866","0.0922","","","","","","1.065","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244748","7.1291","0.0002","13.5358","0.0005","27.2056","0.0011","90","","90","","90","","2625.29","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tipiracil hydrochloride methanol solvate - hydrate","","- C37 H58 Cl8 N16 O12 -","- C37 H58 Cl8 N16 O12 -","- C74 H116 Cl16 N32 O24 -","2","0.5","","Barbas, Rafael; Font-Bardia, Mercè; de Sande, Dafne; Frontera, Antonio; Prohens, Rafel","Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate","CrystEngComm","2022","","","","","10.1039/D2CE00161F","","","0.71073","MoKα","","0.0593","0.0498","","","0.1175","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274438","2022-04-08","22:42:27",""
"7244749","24.355","0.002","6.4076","0.0007","13.2555","0.0016","90","","90","","90","","2068.6","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54184","CuKα","","0.1635","0.0842","","","0.1873","0.2664","","","","","","0.994","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244750","9.2685","0.0008","18.7779","0.0014","10.9806","0.001","90","","101.311","0.009","90","","1874","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54184","CuKα","","0.1214","0.0572","","","0.1032","0.1399","","","","","","0.983","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244751","11.9483","0.0006","17.9325","0.0013","16.013","0.0011","90","","90.01","0.006","90","","3431","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","1","","Dong, Pei-Zhen; Qiu, Bin; An, Xiao-De; Xiao, Jian","Cascade dearomative [4 + 2] cycloaddition of indoles with in situ generated ortho-quinone methides: practical access to divergent indoline-fused polycycles","Green Chemistry","2022","24","9","3772","3777","10.1039/D2GC00387B","","","1.54178","CuKα","","0.1454","0.0951","","","0.2612","0.3137","","","","","","1.015","","","","has coordinates","275785","2022-06-06","01:47:37",""
"7244752","23.861","0.0008","6.1612","0.0002","10.0136","0.0003","90","","95.846","0.002","90","","1464.47","0.08","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H44 O6 -","- C32 H44 O6 -","- C64 H88 O12 -","2","0.5","","Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.","A molecular motor from lignocellulose","Green Chemistry","2022","24","9","3689","3696","10.1039/D2GC00291D","","","1.54178","CuKα","","0.0386","0.0353","","","0.0823","0.0842","","","","","","1.16","","","","has coordinates","275787","2022-06-06","01:48:05",""
"7244753","11.0534","0.0016","11.594","0.0017","12.4153","0.0018","75.979","0.005","86.095","0.005","73.276","0.004","1478.4","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","2","","Freese, Thomas; Fridrich, Bálint; Crespi, Stefano; Lubbe, Anouk S.; Barta, Katalin; Feringa, Ben L.","A molecular motor from lignocellulose","Green Chemistry","2022","24","9","3689","3696","10.1039/D2GC00291D","","","0.71073","MoKα","","0.1187","0.0666","","","0.1478","0.177","","","","","","1.029","","","","has coordinates","275787","2022-06-06","01:48:08",""
"7244754","6.3227","0.0005","13.3902","0.0008","18.0051","0.0008","90","","96.575","0.005","90","","1514.33","0.17","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C56 H92 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1074","0.0875","","","0.1887","0.2037","","","","","","1.119","","","","has coordinates","274456","2022-04-11","22:47:27",""
"7244755","10.9939","0.0006","16.8795","0.0009","11.7929","0.0007","90","","97.999","0.001","90","","2167.1","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N2 O4 P -","- C22 H27 N2 O4 P -","- C88 H108 N8 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.0357","0.0319","","","0.0832","0.0857","","","","","","1.039","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244756","18.3882","0.0009","16.3684","0.0007","24.7963","0.0013","90","","96.253","0.005","90","","7418.9","0.6","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 N2 O9 P2 -","- C32 H62 N2 O9 P2 -","- C256 H496 N16 O72 P16 -","8","2","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1392","0.0594","","","0.1326","0.1603","","","","","","1.042","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244757","10.4795","0.0003","12.8571","0.0004","21.1268","0.0004","83.418","0.002","76.743","0.002","83.11","0.003","2739.47","0.13","103","4","103","4","","","","","","","","5","P -1","-P 1","2","","","","- C53 H81 N2 O13 P3 -","- C53 H81 N2 O13 P3 -","- C106 H162 N4 O26 P6 -","2","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0524","0.0432","","","0.1119","0.1223","","","","","","1.07","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244758","11.424","0.007","13.039","0.002","25.626","0.005","90","","90","","90","","3817","3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 O4 P -","- C16 H29 N2 O4 P -","- C128 H232 N16 O32 P8 -","8","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.1467","0.0584","","","0.1427","0.1642","","","","","","0.964","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244759","19.7198","0.0004","15.6597","0.0003","27.7238","0.0007","90","","101.019","0.002","90","","8403.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N2 O4 P -","- C20 H35 N2 O4 P -","- C320 H560 N32 O64 P16 -","16","4","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0947","0.053","","","0.144","0.1716","","","","","","1.037","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244760","6.47","0.0004","7.6623","0.0005","9.8461","0.0006","78.562","0.001","79.556","0.001","70.392","0.002","447.19","0.05","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C20 H30 O4 -","1","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0305","0.0304","","","0.0799","0.08","","","","","","1.069","","","","has coordinates","274467","2022-04-12","01:39:14",""
"7244761","11.7128","0.0003","7.992","0.0002","11.8269","0.0003","90","","115.224","0.001","90","","1001.54","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.031","0.0302","","","0.08","0.0811","","","","","","1.047","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244762","7.4299","0.0001","10.3592","0.0002","23.4977","0.0003","90","","90","","90","","1808.57","0.05","173","2","173.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0596","0.0576","","","0.1462","0.148","","","","","","1.074","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244763","6.4502","0.0003","14.2302","0.0006","9.9729","0.0004","90","","98.573","0.002","90","","905.16","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0413","0.0407","","","0.1083","0.109","","","","","","1.08","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244764","7.43","0.0003","12.1373","0.0005","21.6486","0.0008","90","","90","","90","","1952.27","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.093","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244765","6.6713","0.0002","19.5694","0.0007","7.1999","0.0002","90","","92.551","0.001","90","","939.04","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0503","0.0492","","","0.1288","0.1304","","","","","","1.04","","","","has coordinates","274467","2022-04-12","01:39:16",""
"7244766","8.4122","0.0002","19.7326","0.0006","11.0321","0.0003","90","","92.236","0.001","90","","1829.87","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","2","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0327","0.0322","","","0.0841","0.0846","","","","","","1.052","","","","has coordinates,has disorder","274467","2022-04-12","01:39:16",""
"7244767","12.966","0.003","14.216","0.003","16.083","0.003","106.92","0.03","105.88","0.02","94.314","0.019","2689","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N9 O14 Ru -","- C44 H28 Ce N9 O14 Ru -","- C88 H56 Ce2 N18 O28 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1179","0.0738","","","0.1691","0.189","","","","","","1.024","","","","has coordinates","274499","2022-04-12","22:39:59",""
"7244768","12.978","0.002","14.05","0.003","16.307","0.003","107.623","0.006","105.164","0.006","95.164","0.006","2688.5","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N10 O16 Ru -","- C44 H28 Ce N10 O16 Ru -","- C88 H56 Ce2 N20 O32 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1117","0.0712","","","0.2057","0.2311","","","","","","1.068","","","","has coordinates","274499","2022-04-12","22:40:00",""
"7244769","9.7605","0.0006","24.3058","0.0016","13.4017","0.0009","90","","106.527","0.001","90","","3048","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu N4 O11 S2 U -","- C30 H18 Cu N4 O11 S2 U -","- C120 H72 Cu4 N16 O44 S8 U4 -","4","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0441","0.0347","","","0.0895","0.0927","","","","","","1.303","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244770","13.935","0.003","15.908","0.003","18.26","0.004","102.65","0.03","112.21","0.03","104.07","0.03","3410.3","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H32 N6 O26 S4 U2 Zn -","- C60 H32 N6 O26 S4 U2 Zn -","- C120 H64 N12 O52 S8 U4 Zn2 -","2","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0502","0.0339","","","0.0899","0.103","","","","","","1.043","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244771","16.3215","0.0014","17.453","0.0015","18.0785","0.0015","90","","90","","90","","5149.8","0.8","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 Cd N6 O18 S2 U2 -","- C50 H28 Cd N6 O18 S2 U2 -","- C200 H112 Cd4 N24 O72 S8 U8 -","4","0.5","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0499","0.0311","","","0.0657","0.0717","","","","","","1.024","","","","has coordinates","274500","2022-04-12","22:40:54",""
"7244772","7.493","0.0004","13.8284","0.001","15.4815","0.0013","108.781","0.007","101.858","0.006","105.672","0.006","1385","0.2","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 F3 N O6 -","- C34 H28 F3 N O6 -","- C68 H56 F6 N2 O12 -","2","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","x-ray","0.71073","MoKα","","0.0849","0.0645","","","0.1607","0.1732","","","","","","1.054","","","","has coordinates,has disorder","274501","2022-04-12","22:41:35",""
"7244773","28.409","0.015","17.899","0.006","12.633","0.005","90","","101.158","0.018","90","","6302","5","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 F6 N2 O12 -","- C68 H56 F6 N2 O12 -","- C272 H224 F24 N8 O48 -","4","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","","0.75","synchrotron","","0.1066","0.0747","","","0.2014","0.223","","","","","","1.025","","","","has coordinates","274501","2022-04-12","22:41:37",""
"7244774","13.4405","0.0003","16.5001","0.0004","14.9111","0.0003","90","","90","","90","","3306.83","0.13","130","","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H12 Cd N6 O7.5 -","- C12.5 H12 Cd N6 O7.5 -","- C100 H96 Cd8 N48 O60 -","8","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","1.5418","CuKα","","0.0547","0.0411","","","0.1059","0.1182","","","","","","1.028","","","","has coordinates,has disorder","274514","2022-04-13","22:39:56",""
"7244775","8.3201","0.0004","12.4952","0.0006","18.8596","0.0009","90","","96.139","0.002","90","","1949.43","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cd N6 O8 -","- C15 H18 Cd N6 O8 -","- C60 H72 Cd4 N24 O32 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0672","0.0534","","","0.1525","0.1597","","","","","","1.062","","","","has coordinates,has disorder","274514","2022-04-13","22:39:57",""
"7244776","10.4146","0.0003","8.9125","0.0003","16.3565","0.0005","90","","103","0.001","90","","1479.3","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cd N5 O4 -","- C13 H11 Cd N5 O4 -","- C52 H44 Cd4 N20 O16 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0287","0.0213","","","0.049","0.0522","","","","","","1.056","","","","has coordinates","274514","2022-04-13","22:39:57",""
"7244777","12.8983","0.0013","13.4856","0.0014","16.2197","0.0017","113.259","0.002","91.93","0.002","115.225","0.001","2274.5","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- Ca3 K5 Mo6 Na O49 P4 -","- Ca3 K5 Mo6 Na O49 P4 -","- Ca6 K10 Mo12 Na2 O98 P8 -","2","1","","Hua, Jiai; Wei, Xueman; Bian, Yujian; Ma, Xiang; Hao, Li; Sun, Jierui; Fan, Jingjing; Niu, Yulan; Wang, Yanqing","A nanoscale polymolybdate built by two hexavacant Keggin-type fragments via a novel {Ca6P6O38} cluster with β-sheet conformation modulation ability","CrystEngComm","2022","","","","","10.1039/D2CE00215A","","","0.71073","MoKα","","0.0397","0.0344","","","0.0878","0.0931","","","","","","1.062","","","","has coordinates","274515","2022-04-13","22:40:31",""
"7244778","10.701","0.0007","15.5677","0.0009","18.8482","0.0009","90","","90","","90","","3139.9","0.3","80","2","80","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","0.71073","MoKα","","0.0533","0.0469","","","0.1179","0.1216","","","","","","1.08","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244779","12.425","0.0003","16.2282","0.0004","9.68021","0.00019","90","","90","","90","","1951.87","0.08","298","2","298","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B30 Fe N6 S -","- C28 H23 B2 Fe N6 -","- C56 H46 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0584","0.058","","","0.1721","0.1726","","","","","","1.235","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244780","12.0275","0.0009","15.8838","0.0011","9.5912","0.0006","90","","90","","90","","1832.3","0.2","120","2","120","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B2 Fe N6 S -","- C28 H24 B2 Fe N6 -","- C56 H48 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0566","0.0562","","","0.1646","0.1653","","","","","","1.135","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244781","11.012","0.004","15.769","0.005","18.997","0.006","90","","90","","90","","3298.8","1.9","250","2","250","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","","0.71073","MoKα","","0.0403","0.0377","","","0.1037","0.1061","","","","","","1.066","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244782","16.6753","0.0004","61.6021","0.0017","18.8069","0.0007","90","","91.986","0.002","90","","19307.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C184 H239 Br2 Co3 Li9 N22 O16 -","- C174 H218 Br2 Co3 Li9 N17 O16 -","- C696 H872 Br8 Co12 Li36 N68 O64 -","4","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.2373","0.1766","","","0.3987","0.4369","","","","","","1.065","","","","has coordinates","274546","2022-04-15","01:21:17",""
"7244783","16.9279","0.0002","21.3316","0.0003","24.0984","0.0004","88.438","0.001","85.353","0.001","68.197","0.001","8052.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C158 H197 Br Co6 N13 Na O13 -","- C144 H176 Br Co6 N6 Na O13 -","- C288 H352 Br2 Co12 N12 Na2 O26 -","2","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","1.54178","CuKα","","0.0872","0.07","","","0.1987","0.2111","","","","","","1.063","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244784","21.7315","0.0002","31.5316","0.0005","29.9771","0.0005","90","","94.9104","0.0012","90","","20465.8","0.5","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C214 H270 Br Co4 N19 Na O16 -","- C196 H243 Br Co4 N10 Na O16 -","- C784 H972 Br4 Co16 N40 Na4 O64 -","4","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","1.54184","CuKα","","0.1079","0.0938","","","0.256","0.2651","","","","","","1.034","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244785","10.4262","0.0002","57.4173","0.001","35.88","0.0008","90","","96.577","0.002","90","","21338","0.7","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C360 H460 Br6 Co9 Li21 N44 O44 -","- C308 H382 Br6 Co9 Li21 N18 O44 -","- C616 H764 Br12 Co18 Li42 N36 O88 -","2","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","0.71075","MoKα","","0.1505","0.115","","","0.3406","0.3653","","","","","","1.345","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244786","41.7805","0.0002","41.7805","0.0002","17.562","0.0002","90","","90","","90","","30656.4","0.4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C122 H157 Br2 Co2.44 Li5.56 N17 O10 -","- C106 H131 Br2 Co2.438 Li5.562 N9 O10 -","- C848 H1048 Br16 Co19.504 Li44.496 N72 O80 -","8","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.1479","0.0978","","","0.2938","0.3475","","","","","","1.027","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244787","41.6832","0.0005","41.6832","0.0005","17.4818","0.0003","90","","90","","90","","30374.4","0.7","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C123.58 H157.38 Br1.58 Cl2.62 Co2.81 Li5.19 N17.79 O10 -","- C99.584 H121.376 Br1.584 Cl2.624 Co2.806 Li5.194 N5.792 O10 -","- C796.672 H971.008 Br12.672 Cl20.992 Co22.448 Li41.552 N46.336 O80 -","8","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71075","MoKα","","0.1571","0.0968","","","0.2934","0.3319","","","","","","1.046","","","","has coordinates,has disorder","274546","2022-04-15","01:21:19",""
"7244788","10.6094","0.0007","17.1327","0.0012","20.911","0.0015","107.144","0.004","93.425","0.003","104.202","0.004","3485.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H189 Br2 Co2 Li8 N9 O17 -","- C128 H176 Br2 Co2 Li8 N8 O16 -","- C128 H176 Br2 Co2 Li8 N8 O16 -","1","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.1434","0.1138","","","0.3494","0.382","","","","","","1.043","","","","has coordinates,has disorder","274546","2022-04-15","01:21:19",""
"7244789","21.8108","0.0004","7.0776","0.0002","18.1625","0.0005","90","","116.465","0.003","90","","2509.9","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C96 H136 N24 O16 -","8","1","","Scheepers, Matthew C.; Fernandes, Manuel A.; Lemmerer, Andreas","Chains or rings? Polymorphism of an isoniazid derivative derivatized with diacetone alcohol","RSC Advances","2022","12","19","11658","11664","10.1039/D2RA02057B","","x-ray","0.71073","MoKα","","0.0933","0.0452","","","0.0978","0.1115","","","","","","0.863","","","","has coordinates","274547","2022-04-15","01:22:47",""
"7244790","9.2041","0.0002","11.1274","0.0003","11.9383","0.0003","90","","92.357","0.001","90","","1221.66","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","1","","Scheepers, Matthew C.; Fernandes, Manuel A.; Lemmerer, Andreas","Chains or rings? Polymorphism of an isoniazid derivative derivatized with diacetone alcohol","RSC Advances","2022","12","19","11658","11664","10.1039/D2RA02057B","","x-ray","0.71073","MoKα","","0.0578","0.0382","","","0.0896","0.0987","","","","","","1.066","","","","has coordinates","274547","2022-04-15","01:22:47",""
"7244791","11.4076","0.0004","11.4418","0.0005","11.4575","0.0004","82.116","0.003","70.323","0.003","62.123","0.004","1244.37","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0489","0.0465","","","0.1334","0.1359","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:11",""
"7244792","18.7366","0.0002","9.0758","0.0001","21.2147","0.0002","90","","90","","90","","3607.55","0.06","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0379","0.0361","","","0.0995","0.1016","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244793","11.577","0.0005","11.5948","0.0005","11.5876","0.0004","81.718","0.003","70.661","0.003","61.489","0.004","1289.5","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.071","0.0655","","","0.1791","0.1836","","","","","","1.009","","","","has coordinates,has disorder","274563","2022-04-18","22:38:12",""
"7244794","18.9657","0.0005","9.2178","0.0002","21.3293","0.0004","90","","90","","90","","3728.83","0.15","345","2","345","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.059","0.0508","","","0.1607","0.1707","","","","","","1.088","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244795","18.9092","0.0001","9.1761","0.0001","21.2981","0.0002","90","","90","","90","","3695.49","0.06","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0391","0.0368","","","0.1089","0.1113","","","","","","1.08","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244796","11.716","0.002","20.381","0.008","11.709","0.007","90","","109.58","0.03","90","","2634","2","330","","330","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","2-Adamantanol","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","1.5","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244797","8.7701","0.0005","14.3922","0.0008","18.8489","0.001","78.414","0.003","79.587","0.003","72.876","0.003","2208.5","0.2","193","2","193","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H46 N14 O9.5 Zn -","- C46 H32 N14 O6 Zn -","- C92 H64 N28 O12 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0781","0.057","","","0.1656","0.1792","","","","","","1.069","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244798","9.0484","0.0005","11.1794","0.0007","12.8727","0.0007","80.467","0.003","80.137","0.002","77.54","0.003","1241.43","0.12","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N7 O4 Zn -","- C30 H20 N7 O4 Zn -","- C60 H40 N14 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0427","0.0371","","","0.0974","0.1005","","","","","","1.055","","","","has coordinates","274564","2022-04-18","22:39:23",""
"7244799","9.2514","0.0017","12.824","0.002","16.624","0.003","68.187","0.006","82.616","0.007","80.538","0.006","1801.2","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H32.5 N9.5 O5.5 Zn -","- C35 H22 N8 O4 Zn -","- C70 H44 N16 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","0.71073","MoKα","","0.0823","0.0578","","","0.14","0.155","","","","","","1.018","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244800","6.2266","0.0009","7.1344","0.0007","14.1593","0.0015","97.548","0.009","90.802","0.011","94.115","0.01","621.77","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0903","0.0789","","","0.2101","0.222","","","","","","1.074","","","","has coordinates,has disorder","274566","2022-04-18","22:41:43",""
"7244801","7.4141","0.0003","12.8303","0.0007","15.1362","0.0009","69.146","0.005","86.884","0.004","77","0.004","1310.5","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N6 O8 S2 -","- C22 H28 N6 O8 S2 -","- C44 H56 N12 O16 S4 -","2","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0367","0.0334","","","0.093","0.0953","","","","","","1.046","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244802","7.6608","0.0005","10.915","0.0007","27.573","0.002","90","","94.659","0.007","90","","2298","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N6 O9 S2 -","- C44 H56 N6 O9 S2 -","- C88 H112 N12 O18 S4 -","2","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.089","0.0777","","","0.177","0.1823","","","","","","1.189","","","","has coordinates,has disorder","274566","2022-04-18","22:41:44",""
"7244803","39.275","0.009","12.1367","0.0013","7.323","0.0009","90","","90","","90","","3490.6","1","99.97","0.14","99.97","0.14","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H39 N6 O7 S2 -","- C24 H38 N6 O7 S2 -","- C96 H152 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1755","0.1514","","","0.381","0.4012","","","","","","1.065","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244804","11.99","0.0009","26.883","0.002","7.3973","0.0006","90","","92.394","0.007","90","","2382.3","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N6 O8 S2 -","- C16 H28 N6 O8 S2 -","- C64 H112 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0856","0.0613","","","0.1364","0.1501","","","","","","1.05","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244805","6.1959","0.0003","7.1931","0.0003","14.6132","0.0006","101.192","0.004","90.032","0.004","93.056","0.004","637.94","0.05","149.99","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","","1.54184","CuKα","","0.1003","0.0959","","","0.2744","0.2836","","","","","","1.331","","","","has coordinates,has disorder","274566","2022-04-18","22:41:45",""
"7244806","8.3016","0.0002","11.7965","0.0003","30.4956","0.0006","90","","95.177","0.002","90","","2974.25","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H35 N7 O8 S2 -","- C22 H35 N7 O8 S2 -","- C88 H140 N28 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0406","0.0397","","","0.1048","0.1066","","","","","","1.047","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244807","12.5276","0.0008","24.5907","0.0016","28.4358","0.0019","90","","90","","90","","8760","1","149.99","0.1","149.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N3 O6 S -","- C19 H24 N3 O6 S -","- C304 H384 N48 O96 S16 -","16","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1097","0.0688","","","0.1618","0.1961","","","","","","1.055","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244808","12.4527","0.0002","13.4693","0.0003","26.9148","0.0005","90","","90","","90","","4514.4","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N3 O5 S -","- C19 H32 N3 O5 S -","- C152 H256 N24 O40 S8 -","8","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0456","0.0402","","","0.1108","0.1139","","","","","","1.067","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244809","8.4629","0.0003","7.7277","0.0003","24.8938","0.0007","90","","95.196","0.003","90","","1621.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0617","0.0393","","","0.069","0.078","","","","","","1.019","","","","has coordinates","274586","2022-04-19","22:49:03",""
"7244810","8.518","0.0003","7.8123","0.0003","24.9061","0.0007","90","","93.882","0.003","90","","1653.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0776","0.0477","","","0.0864","0.1006","","","","","","1.047","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244811","8.5132","0.0003","7.8036","0.0003","24.9137","0.0007","90","","93.876","0.003","90","","1651.32","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0781","0.0498","","","0.0849","0.0968","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244812","8.5069","0.0004","7.7879","0.0003","24.9206","0.0008","90","","93.898","0.004","90","","1647.19","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0827","0.0511","","","0.0952","0.111","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244813","8.5145","0.0003","7.8127","0.0003","24.8999","0.0006","90","","93.874","0.003","90","","1652.59","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0642","0.0435","","","0.0823","0.0917","","","","","","1.024","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244814","8.5546","0.0003","7.8266","0.0003","24.9175","0.0007","90","","93.834","0.003","90","","1664.58","0.1","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0699","0.0469","","","0.0891","0.0996","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244815","8.5347","0.0003","7.8187","0.0002","24.903","0.0006","90","","93.842","0.003","90","","1658.05","0.08","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.067","0.044","","","0.0842","0.0958","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244816","8.5779","0.0006","7.7998","0.0004","24.9321","0.001","90","","94.153","0.005","90","","1663.72","0.16","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1006","0.0666","","","0.1446","0.1714","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244817","8.5278","0.0003","7.7446","0.0003","24.9228","0.0008","90","","95.023","0.003","90","","1639.69","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0609","0.0382","","","0.0709","0.0804","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244818","8.5788","0.0004","7.8253","0.0003","24.9355","0.0007","90","","93.907","0.003","90","","1670.07","0.11","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.078","0.049","","","0.0919","0.1076","","","","","","1.037","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244819","8.5709","0.0003","7.83","0.0003","24.9295","0.0007","90","","93.868","0.003","90","","1669.21","0.1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0718","0.047","","","0.0858","0.0979","","","","","","1.045","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244820","8.5365","0.0004","7.7574","0.0003","24.9435","0.0009","90","","94.614","0.004","90","","1646.43","0.12","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0698","0.0422","","","0.0748","0.0871","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244821","8.5713","0.0005","7.8306","0.0004","24.9557","0.0013","90","","93.877","0.005","90","","1671.15","0.16","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0999","0.0506","","","0.0887","0.1079","","","","","","1.001","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244822","8.56","0.0005","7.7921","0.0003","24.965","0.0011","90","","93.916","0.004","90","","1661.29","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0873","0.0465","","","0.0789","0.0965","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244823","8.5715","0.0004","7.848","0.0004","24.9357","0.0013","90","","93.9","0.005","90","","1673.52","0.15","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0918","0.0482","","","0.0801","0.0956","","","","","","1.014","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244824","8.5491","0.0005","7.7738","0.0003","24.9629","0.0009","90","","94.133","0.004","90","","1654.69","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0804","0.0441","","","0.0735","0.0872","","","","","","1.046","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244825","8.5858","0.0004","7.7514","0.0003","24.944","0.0009","90","","94.872","0.004","90","","1654.07","0.12","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0703","0.0408","","","0.0701","0.081","","","","","","1.005","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244826","8.5678","0.0004","7.8189","0.0003","24.9575","0.0011","90","","93.857","0.004","90","","1668.14","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0927","0.0491","","","0.0834","0.103","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244827","8.575","0.0004","7.7508","0.0003","24.9403","0.0009","90","","94.906","0.004","90","","1651.54","0.12","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0676","0.0401","","","0.0721","0.0833","","","","","","1.017","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244828","8.5676","0.0004","7.8399","0.0004","24.9457","0.0012","90","","93.91","0.005","90","","1671.68","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0939","0.0498","","","0.0836","0.0998","","","","","","1.023","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244829","8.5737","0.0004","7.7572","0.0003","24.9303","0.0008","90","","94.731","0.004","90","","1652.41","0.11","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0604","0.0403","","","0.0805","0.0922","","","","","","1.049","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244830","8.577","0.0005","7.8445","0.0003","24.9399","0.001","90","","93.926","0.004","90","","1674.08","0.13","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0867","0.048","","","0.0724","0.0865","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244831","8.5713","0.0007","7.7639","0.0005","24.9495","0.0017","90","","94.672","0.006","90","","1654.8","0.2","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0983","0.0582","","","0.102","0.1309","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244832","8.5861","0.0004","7.7599","0.0003","24.9514","0.0009","90","","94.697","0.004","90","","1656.86","0.12","254","2","254","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0769","0.0448","","","0.0739","0.0868","","","","","","0.985","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244833","8.5782","0.0006","7.8203","0.0004","24.9405","0.0012","90","","94.01","0.005","90","","1669.01","0.17","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.108","0.0593","","","0.1033","0.134","","","","","","1.025","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244834","8.5838","0.0006","7.7813","0.0004","24.9696","0.0014","90","","94.306","0.006","90","","1663.09","0.17","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0954","0.0522","","","0.0775","0.0957","","","","","","0.984","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244835","8.5886","0.0005","7.8448","0.0003","24.9572","0.0012","90","","93.919","0.004","90","","1677.58","0.14","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0916","0.0491","","","0.0791","0.0951","","","","","","1.026","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244836","8.5727","0.0005","7.8506","0.0004","24.9331","0.0013","90","","93.899","0.005","90","","1674.13","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0903","0.0492","","","0.0779","0.0938","","","","","","1.034","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244837","3.801","0.0002","5.8557","0.0003","27.5948","0.0012","90","","93.72","0.004","90","","612.9","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bpy4dc","dimethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0491","0.0424","","","0.1066","0.1118","","","","","","1.069","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244838","8.458","0.003","13.861","0.004","15.612","0.005","63.83","0.03","83.71","0.03","79.31","0.03","1613.4","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2688","0.1242","","","0.3002","0.3641","","","","","","0.905","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244839","8.4584","0.0018","13.867","0.003","15.643","0.004","63.83","0.02","83.51","0.018","79.336","0.016","1617.3","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2212","0.1107","","","0.2895","0.3512","","","","","","0.938","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244840","8.457","0.0017","13.863","0.002","15.648","0.004","63.84","0.02","83.505","0.018","79.366","0.016","1617.3","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2209","0.1072","","","0.2855","0.3464","","","","","","0.92","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244841","8.4976","0.0009","13.812","0.002","15.5449","0.0019","63.761","0.014","82.994","0.009","78.512","0.011","1602.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1301","0.0764","","","0.2032","0.2454","","","","","","0.956","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244842","8.4188","0.0004","16.5033","0.0008","17.3275","0.0008","90","","90.263","0.002","90","","2407.4","0.2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B F7 N O6 -","- C18 H29 B F7 N O6 -","- C72 H116 B4 F28 N4 O24 -","4","1","","Han, Ding-Chong; Tan, Yu-Hui; Wen, Jia-Hui; Tang, Yun Zhi; Wu, Peng-Fei; Li, Yu-Kong; Wan, Ming-Yang; Fan, Xiao-Wei","High-Tp-Triggered Phase Transition Exhibiting Switchable Dielectric-Thermal Responses and Long Photoluminescence Lifetime in a Novel Inclusion Luminophor","CrystEngComm","2022","","","","","10.1039/D2CE00236A","","","0.71073","MoKα","","0.1226","0.0715","","","0.1706","0.2071","","","","","","1.027","","","","has coordinates,has disorder","274609","2022-04-20","22:40:05",""
"7244843","20.4311","0.0008","10.9478","0.0004","17.313","0.0007","90","","109.488","0.002","90","","3650.6","0.2","170","2","169.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C152 H200 N8 O32 -","8","2","","Tao, Ji-Yu; Wang, Ying-Xue; Zhang, Qing-Hong; Ni, Kun; Zhu, Tong-Hao; Zhao, Kai","Transition-metal-free regioselective and stereoselective C(sp2)–C(sp3) coupling of enamides with ethers or alkanes via photoredox-catalyzed cross-dehydrogenative coupling reactions","Green Chemistry","2022","24","10","4004","4011","10.1039/D2GC00472K","","","1.34139","GaKα","","0.0563","0.0431","","","0.1048","0.1137","","","","","","1.042","","","","has coordinates,has disorder","275783","2022-06-06","01:47:15",""
"7244844","12.313","0.003","13.516","0.003","15.514","0.003","90","","129.048","0.012","90","","2005.1","0.8","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F3 O3 -","- C24 H17 F3 O3 -","- C96 H68 F12 O12 -","4","1","","Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz","Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy","Green Chemistry","2022","24","9","3697","3703","10.1039/D2GC00684G","","","0.71073","MoKα","","0.1581","0.0822","","","0.2011","0.261","","","","","","1.03","","","","has coordinates","275788","2022-06-06","01:48:17",""
"7244845","34.743","0.002","7.6413","0.0003","19.9522","0.0011","90","","100.316","0.002","90","","5211.3","0.5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O6 S -","- C31 H26 O6 S -","- C248 H208 O48 S8 -","8","1","","Zhang, Yan; Ma, Chanchan; Cai, Zhenzhi; Struwe, Julia; Chen, Shengjie; Xu, Jinming; Li, Shiyin; Zeng, Wangyu; Ackermann, Lutz","Electrooxidative tricyclic 6–7–6 fused-system domino assembly to allocolchicines by a removable radical strategy","Green Chemistry","2022","24","9","3697","3703","10.1039/D2GC00684G","","","0.71073","MoKα","","0.075","0.055","","","0.1407","0.1597","","","","","","1.035","","","","has coordinates","275788","2022-06-06","01:48:17",""
"7244846","7.0468","0.0009","7.96","0.001","9.2442","0.0012","80.193","0.009","78.165","0.008","80.695","0.008","495.75","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Br Cl3 N -","- C5 H4 Au Br Cl3 N -","- C10 H8 Au2 Br2 Cl6 N2 -","2","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0802","0.0392","","","0.0647","0.0747","","","","","","0.96","","","","has coordinates","274646","2022-04-22","22:32:47",""
"7244847","4.0879","0.0005","13.478","0.0019","17.229","0.002","90","","90.976","0.005","90","","949.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl4 N -","- C5 H4 Au Cl4 N -","- C20 H16 Au4 Cl16 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0325","0.02","","","0.0359","0.039","","","","","","1.062","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244848","18.5724","0.0012","6.8315","0.0004","16.2536","0.001","90","","103.388","0.002","90","","2006.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Au Cl3 I N -","- C5 H4 Au Cl3 I N -","- C40 H32 Au8 Cl24 I8 N8 -","8","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0443","0.025","","","0.0444","0.0513","","","","","","1.025","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244849","4.1948","0.0004","13.8237","0.0014","16.8348","0.0018","90","","90","","90","","976.21","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Au Br3 F N -","- C5 H4 Au Br3 F N -","- C20 H16 Au4 Br12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0697","0.0719","","","","","","1","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244850","6.6793","0.0011","8.242","0.0013","16.356","0.003","90","","94.54","0.008","90","","897.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl3 F N O0 -","- C5 H4 Au Cl3 F N -","- C20 H16 Au4 Cl12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.1078","0.0637","","","0.1581","0.1795","","","","","","1.047","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244851","7.4947","0.0017","9.945","0.003","10","0.002","85.66","0.013","69.881","0.012","78.186","0.012","685","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 Au Cl3 N2 O -","- C10 H12 Au Cl3 N2 O -","- C20 H24 Au2 Cl6 N4 O2 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0668","0.0331","","","0.0578","0.0665","","","","","","0.867","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244852","7.3049","0.0004","7.9398","0.0004","14.1403","0.0008","91.892","0.002","101.92","0.003","99.075","0.002","790.57","0.07","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H11 Au Br3 N2 O2 -","- C10 H11 Au Br3 N2 O2 -","- C20 H22 Au2 Br6 N4 O4 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0391","0.025","","","0.043","0.0455","","","","","","0.958","","","","has coordinates","274646","2022-04-22","22:32:50",""
"7244853","7.411","0.0003","9.0343","0.0006","9.7976","0.0006","76.87","0.005","88.723","0.005","84.956","0.004","636.36","0.06","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0461","0.0342","","","0.0684","0.0726","","","","","","1.046","","","","has coordinates","274700","2022-04-26","22:34:21",""
"7244854","7.4734","0.0002","9.3123","0.0005","9.9081","0.0004","73.84","0.004","86.669","0.003","82.978","0.003","657.13","0.05","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0308","0.0288","","","0.0709","0.0729","","","","","","1.06","","","","has coordinates","274700","2022-04-26","22:34:22",""
"7244855","9.7488","0.0001","9.7803","0.0001","14.7582","0.0001","90","","90","","90","","1407.14","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lu, Hui-Rong; Geng, Hui; Ding, Guan-Tian; Huang, Pei-Qiang","Catalyst- and solvent-free aminolysis of the asymmetric derivatives of Evans’ chiral N-acyloxazolidinones: enantioselective synthesis of chiral amides and its applications","Green Chemistry","2022","24","11","4405","4413","10.1039/D2GC00662F","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0652","0.0654","","","","","","1.061","","","","has coordinates","276627","2022-07-06","08:13:12",""
"7244856","6.787","0.002","12.178","0.005","17.714","0.007","90","","98.997","0.011","90","","1446.1","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C68 H48 N16 O16 -","4","1","","Paul, Suparna; Mondal, Udayan; Nag, Somrita; Seth, Madhupa; Banerjee, Priyabrata","Unveiling of a smartphone-mediated ratiometric chemosensor towards the nanomolar level detection of lethal CN−: combined experimental and theoretical validation with the proposition of a molecular logic circuitry","RSC Advances","2022","12","20","12564","12572","10.1039/D1RA07139D","","","0.71073","MoKα","","0.146","0.0945","","","0.1903","0.2092","","","","","","1.138","","","","has coordinates","274711","2022-04-27","01:08:25",""
"7244857","7.4634","0.0005","10.6336","0.0009","10.3869","0.0007","90","","90","","90","","824.33","0.1","290","2","290","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ca1.62 In0.69 Na6.23 O18 Si6 -","- Ca1.62 In0.683 Na6.242 O18 Si6 -","- Ca3.24 In1.366 Na12.484 O36 Si12 -","2","0.25","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","","x-ray","0.71073","MoKα","","0.0457","0.0394","","","0.0737","0.0761","","","","","","1.143","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244858","7.459427","","10.620756","","10.375741","","90","","90","","90","","822.016","","300","","300","","","","100","","","","","5","P n n m","-P 2 2n","58","MS-2","","","- Ca3.16 In1.36 Na12.53 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","1","0.125","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","powder diffraction","x-ray","1.54051","CuKα","","0.0569","","","","0.15318","","0.1091","","1.32","","","","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244859","7.5511","0.0004","8.7","0.0004","12.6118","0.0007","86.36","0.002","75.717","0.002","75.416","0.002","777.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0829","0.0426","","","0.0812","0.092","","","","","","1.02","","","","has coordinates","274725","2022-04-27","22:44:12",""
"7244860","9.8898","0.0007","11.0565","0.0008","12.9603","0.0009","90","","103.974","0.002","90","","1375.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N6 Ni S4 -","- C20 H32 N6 Ni S4 -","- C40 H64 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1853","0.0776","","","0.1791","0.2186","","","","","","1.031","","","","has coordinates,has disorder","274725","2022-04-27","22:44:13",""
"7244861","8.0311","0.0006","9.269","0.0007","9.4907","0.0007","114.353","0.003","103.978","0.003","100.933","0.003","590.19","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0698","0.0505","","","0.1149","0.1294","","","","","","1.134","","","","has coordinates","274725","2022-04-27","22:44:13",""
"7244862","10.2851","0.0005","12.7962","0.0007","15.8552","0.0008","90","","105.97","0.0012","90","","2006.18","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C64 H112 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0756","0.0426","","","0.0858","0.0945","","","","","","1.025","","","","has coordinates","274725","2022-04-27","22:44:16",""
"7244863","17.7929","0.0009","15.3944","0.0008","16.2435","0.0008","90","","116.214","0.001","90","","3991.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C128 H224 N24 Ni4 S16 -","4","1","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1597","0.0635","","","0.1777","0.2361","","","","","","0.883","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244864","9.9396","0.0004","19.2932","0.0008","19.4036","0.0008","103.934","0.001","94.109","0.001","90.753","0.001","3600.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 N6 Ni S4 -","- C28 H48 N6 Ni S4 -","- C112 H192 N24 Ni4 S16 -","4","2","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1201","0.052","","","0.1027","0.1221","","","","","","1.005","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244865","8.0145","0.0003","12.1192","0.0004","21.2967","0.0007","90","","91.686","0.003","90","","2067.64","0.12","133","","133.2","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H18 Br6 F6 N3 Sb -","- C24 H72 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.2043","0.2014","","","0.5057","0.5062","","","","","","1.151","","","","has coordinates","274726","2022-04-27","22:45:40",""
"7244866","12.3766","0.0005","21.5176","0.0008","8.0757","0.0003","90","","90","","90","","2150.68","0.14","292.99","0.1","292.99","0.1","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H14 Br6 F7 N3 Sb -","- C6 H17 Br6 F7 N3 Sb -","- C24 H68 Br24 F28 N12 Sb4 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.0554","0.0487","","","0.1486","0.1529","","","","","","1.111","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244867","12.3891","0.0005","21.5246","0.0009","8.0726","0.0003","90","","90","","90","","2152.72","0.15","273","","273","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","1","0.125","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.0707","0.0484","","","0.1401","0.1516","","","","","","1.045","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244868","8.0374","0.0009","12.3053","0.0011","21.399","0.0015","90","","90","","90","","2116.4","0.3","232.97","0.1","232.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H16 Br6 F6 N3 Sb -","- C24 H64 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.1508","0.1213","","","0.3327","0.3475","","","","","","1.068","","","","has coordinates,has disorder","274726","2022-04-27","22:45:41",""
"7244869","12.403","0.0005","7.2153","0.0002","29.2429","0.0012","90","","90","","90","","2616.99","0.17","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Yang, Xinjie; Wang, Hao; Zhang, Yanhua; Su, Weike; Yu, Jingbo","Generation of aryl radicals from in situ activated homolytic scission: driving radical reactions by ball milling","Green Chemistry","2022","24","11","4557","4565","10.1039/D2GC00910B","","","0.71073","MoKα","","0.0498","0.0415","","","0.1042","0.1113","","","","","","1.084","","","","has coordinates","276626","2022-07-06","08:13:07",""
"7244870","14.33058","0.00003","14.33058","0.00003","8.35856","0.00002","90","","90","","90","","1716.56","0.007","150","","150","","","","","","","","synthesized","5","P 42/n :2","-P 4bc","86","","","","- C56 H72 N8 O20 Si2 -","- C56 H72 N8 O20 Si2 -","- C56 H72 N8 O20 Si2 -","1","0.125","","Ennis, Courtney; Appadoo, Dominique R. T.; Boer, Stephanie A.; White, Nicholas G.","Vibrational mode analysis of hydrogen-bonded organic frameworks (HOFs): synchrotron infrared studies","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00796G","","","1.54184","CuKα","","0.0955","0.0938","","0.2334","0.2318","0.1977","","","","","","1.0673","","","","has coordinates,has disorder","274733","2022-04-28","00:59:50",""
"7244871","7.0697","0.0005","12.8591","0.0008","13.3357","0.0009","87.564","0.002","80.1017","0.0019","88.5666","0.0019","1193.03","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Au Cl4 N3 O3 -","- C18 H28 Au Cl4 N3 O3 -","- C36 H56 Au2 Cl8 N6 O6 -","2","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0488","0.032","","","0.0525","0.0561","","","","","","1.02","","","","has coordinates","274810","2022-05-02","22:51:33",""
"7244872","12.329","0.0009","16.7583","0.0013","13.2907","0.001","90","","102.993","0.001","90","","2675.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Cl4 N3 O3 -","- C21 H34 Au Cl4 N3 O3 -","- C84 H136 Au4 Cl16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0269","0.0167","","","0.0346","0.038","","","","","","1.075","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244873","11.433","0.003","14.321","0.004","19.606","0.006","71.99","0.005","82.849","0.005","74.244","0.004","2935.3","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","1","0.5","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.1279","0.0837","","","0.2106","0.2383","","","","","","0.977","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244874","12.5789","0.0011","17.0609","0.0015","13.3931","0.0012","90","","103.8","0.002","90","","2791.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Br4 N3 O3 -","- C21 H34 Au Br4 N3 O3 -","- C84 H136 Au4 Br16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0373","0.0211","","","0.0438","0.0485","","","","","","1.022","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244875","8.2648","0.0011","15.324","0.002","24.254","0.003","90","","91.5","0.002","90","","3070.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-tris(4-formyl phenoxymethyl)mesitylene","","- C36 H36 O7 -","- C36 H36 O7 -","- C144 H144 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0717","0.0614","","","0.1491","0.1566","","","","","","1.042","","","","has coordinates,has disorder","274811","2022-05-02","22:52:48",""
"7244876","28.148","0.005","9.87","0.002","25.456","0.005","90","","101.202","0.006","90","","6937","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Br8 N14 O9 -","- C56 H82 Br8 N14 O9 -","- C224 H328 Br32 N56 O36 -","4","0.5","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0866","0.0545","","","0.1342","0.1507","","","","","","1.044","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244877","10.4686","0.0012","10.5937","0.001","14.3939","0.0018","104.077","0.004","105.163","0.003","96.007","0.005","1470.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tris(4-aminopyridinium)mesitylene tribromide","","- C27 H33 Br3 N6 O -","- C27 H33 Br3 N6 O -","- C54 H66 Br6 N12 O2 -","2","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0969","0.0503","","","0.1132","0.1518","","","","","","1.06","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244878","7.4743","0.0005","26.063","0.002","16.587","0.0011","90","","93.174","0.003","90","","3226.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(4-amino-N-ethylbenzamide)ammonium bromide","","- C27 H35 Br2 N7 O7 -","- C27 H35 Br2 N7 O7 -","- C108 H140 Br8 N28 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.1582","0.0574","","","0.1383","0.1818","","","","","","0.959","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244879","5.6","0.02","14.98","0.05","9.85","0.04","90","","105.15","0.04","90","","798","5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H15 N O -","- C23 H15 N O -","- C46 H30 N2 O2 -","2","1","","Bae, Jaehan; Iqbal, Naeem; Hwang, Ho Seong; Cho, Eun Jin","Sustainable preparation of photoactive indole-fused tetracyclic molecules: a new class of organophotocatalysts","Green Chemistry","2022","24","10","3985","3992","10.1039/D2GC00542E","","","0.71073","MoKα","","0.1539","0.0707","","","0.2264","0.2623","","","","","","0.993","","","","has coordinates","275784","2022-06-06","01:47:21",""
"7244880","12.1766","0.0012","12.1766","0.0012","6.9569","0.0011","90","","90","","120","","893.3","0.19","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.71073","MoKα","","0.0845","0.0666","","","0.143","0.1518","","","","","","1.081","","","","has coordinates","274828","2022-05-03","01:42:48",""
"7244881","12.3005","0.0017","12.3005","0.0017","6.731","0.0014","90","","90","","120","","882","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.65","synchrotron","","0.044","0.0424","","","0.1168","0.1178","","","","","","1.159","","","","has coordinates","274828","2022-05-03","01:42:59",""
"7244882","8.4896","0.0004","8.6765","0.0005","14.641","0.0007","87.742","0.002","89.147","0.002","83.008","0.002","1069.55","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N8 O6 Zn -","- C15 H18 N8 O6 Zn -","- C30 H36 N16 O12 Zn2 -","2","1","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.71073","MoKα","","0.0448","0.0417","","","0.1079","0.1104","","","","","","1.04","","","","has coordinates","274828","2022-05-03","01:43:02",""
"7244883","19.4671","0.0016","5.8892","0.0008","10.9041","0.0012","90","","103.106","0.011","90","","1217.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Br F5 -","- C13 H6 Br F5 -","- C52 H24 Br4 F20 -","4","1","","Xu, Jie; Liu, Jiangjun; Chen, Gang; Xiong, Baojian; Zhang, Xuemei; Lian, Zhong","Palladium-catalysed difluoroolefination of benzyl tosylates toward the synthesis of gem-difluoro-2-trifluromethyl styrene derivatives","RSC Advances","2022","12","21","12983","12987","10.1039/D2RA02473J","","x-ray","0.71073","MoKα","","0.1767","0.068","","","0.1502","0.2072","","","","","","0.988","","","","has coordinates","274829","2022-05-03","01:43:29",""
"7244884","9.3146","0.0007","11.4763","0.0009","12.2711","0.0009","95.205","0.004","106.911","0.004","98.262","0.004","1229.77","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C58 H64 O8 -","2","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0547","0.0429","","","0.1203","0.1316","","","","","","1.057","","","","has coordinates","274856","2022-05-03","22:31:21",""
"7244885","9.3281","0.0006","21.6191","0.0015","12.2447","0.0009","90","","95.321","0.004","90","","2458.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C116 H128 O16 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0753","0.0586","","","0.1393","0.1536","","","","","","1.096","","","","has coordinates","274856","2022-05-03","22:31:24",""
"7244886","11.5533","0.0005","10.2872","0.0005","19.6885","0.0009","90","","97.333","0.002","90","","2320.86","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C116 H120 O12 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0888","0.0626","","","0.1561","0.1788","","","","","","1.101","","","","has coordinates","274856","2022-05-03","22:31:26",""
"7244887","8.0124","0.0007","8.0124","0.0007","33.848","0.003","90","","90","","90","","2173","0.3","170","2","170","2","","","","","","","","5","P 43","P 4cw","78","","","","- C18 H28 K N O9 -","- C18 H28 K N O9 -","- C72 H112 K4 N4 O36 -","4","1","","Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian","VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01309F","","x-ray","0.71073","MoKα","","0.0439","0.0409","","","0.1","0.1031","","","","","","1.085","","","","has coordinates","274905","2022-05-05","00:49:08",""
"7244888","9.6493","0.0004","11.3747","0.0005","23.4471","0.0009","90","","90","","90","","2573.5","0.18","293","2","292.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 K N O9 -","- C24 H32 K N O9 -","- C96 H128 K4 N4 O36 -","4","1","","Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian","VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01309F","","x-ray","1.54184","CuKα","","0.0486","0.0397","","","0.0982","0.1046","","","","","","1.01","","","","has coordinates","274905","2022-05-05","00:49:12",""
"7244889","8.5903","0.0003","17.6173","0.0012","19.5808","0.0011","112.588","0.006","92.604","0.004","102.434","0.004","2644.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H67 N5 O2 Si2 -","- C62 H67 N5 O2 Si2 -","- C124 H134 N10 O4 Si4 -","2","1","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","","1.54184","CuKα","","0.1323","0.0844","","","0.2208","0.2597","","","","","","1.005","","","","has coordinates","274906","2022-05-05","01:12:15",""
"7244890","15.5906","0.0007","23.349","0.0007","16.177","0.0009","90","","114.138","0.006","90","","5373.9","0.5","149.97","0.11","149.97","0.11","","","","","","","","5","I 1 2/m 1","-I 2y","12","","BQD-AP","","- C60 H63 N5 O2 Si2 -","- C60 H63 N5 O2 Si2 -","- C240 H252 N20 O8 Si8 -","4","0.5","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","x-ray","1.54184","CuKα","","0.1084","0.0861","","","0.2363","0.2589","","","","","","1.039","","","","has coordinates,has disorder","274906","2022-05-05","01:12:15",""
"7244891","8.057","0.0002","17.2302","0.0004","17.433","0.0003","102.994","0.002","99.015","0.002","100.35","0.002","2270.21","0.09","149.99","0.11","149.99","0.11","","","","","","","","6","P -1","-P 1","2","","BQD-TZ","","- C48 H59 N5 O2 S Si2 -","- C48 H59 N5 O2 S Si2 -","- C96 H118 N10 O4 S2 Si4 -","2","1","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","x-ray","1.54184","CuKα","","0.0645","0.0526","","","0.1346","0.1412","","","","","","1.047","","","","has coordinates,has disorder","274906","2022-05-05","01:12:15",""
"7244892","8.3185","0.0004","17.6483","0.0007","15.7257","0.0008","90","","101.951","0.004","90","","2258.61","0.18","120","0.1","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu2 N6 O12 -","- C48 H50 Cu2 N6 O12 -","- C96 H100 Cu4 N12 O24 -","2","0.5","","Goudarziafshar, Hamid; Yousefi, Somaieh; Abbasi Tyula, Yunes; Dušek, Michal; Eigner, Václav","Template synthesis, DNA binding, antimicrobial activity, Hirshfeld surface analysis, and 1D helical supramolecular structure of a novel binuclear copper(ii) Schiff base complex","RSC Advances","2022","12","22","13580","13592","10.1039/D2RA00719C","","x-ray","1.54184","CuKα","","0.0455","0.0414","","","0.1112","0.1138","","","","1.83","1.83","1.77","","","","has coordinates","274935","2022-05-05","18:32:39",""
"7244893","6.4327","0.0004","7.6898","0.0006","18.8782","0.0014","90.654","0.004","91.728","0.004","103.495","0.004","907.47","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","SAV-18","","- C17 H14 Br F2 N3 O3 S -","- C17 H14 Br F2 N3 O3 S -","- C34 H28 Br2 F4 N6 O6 S2 -","2","1","","Miller, Daniel; Voell, Sabine Anna; Sosič, Izidor; Proj, Matic; Rossanese, Olivia; Schnakenburg, Gregor; Gütschow, Michael; Collins, Ian; Steinebach, Christian","Encoding BRAF Inhibitor Functions in Protein Degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00064D","","","0.71073","MoKα","","0.0609","0.0344","","","0.0745","0.0841","","","","","","1.009","","","","has coordinates","275087","2022-05-05","23:45:45",""
"7244894","6.028","0.0005","12.5634","0.0008","18.7272","0.0016","90","","90","","90","","1418.25","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F3 N O2 S -","- C10 H20 F3 N O2 S -","- C40 H80 F12 N4 O8 S4 -","4","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","","1.54178","CuKα","","0.0514","0.0427","","","0.1056","0.1104","","","","","","1.044","","","","has coordinates","275088","2022-05-05","23:46:25",""
"7244895","8.1112","0.0002","8.1755","0.0003","32.6852","0.0009","90","","90","","90","","2167.46","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br2 N2 O6 -","- C22 H16 Br2 N2 O6 -","- C88 H64 Br8 N8 O24 -","4","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","x-ray","1.54178","CuKα","","0.0555","0.0533","","","0.1256","0.1267","","","","","","1.17","","","","has coordinates,has disorder","275088","2022-05-05","23:46:26",""
"7244896","8.1072","0.0002","8.181","0.0002","32.6881","0.0007","90","","90","","90","","2168.04","0.09","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Br N O3 -","- C11 H8 Br N O3 -","- C88 H64 Br8 N8 O24 -","8","2","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","x-ray","1.54178","CuKα","","0.0358","0.0345","","","0.0831","0.0838","","","","","","1.096","","","","has coordinates,has disorder","275088","2022-05-05","23:46:26",""
"7244897","9.9889","0.0009","10.8567","0.0012","9.9953","0.001","90","","105.531","0.003","90","","1044.38","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0737","0.0468","","","0.1252","0.1499","","","","","","0.869","","","","has coordinates","275152","2022-05-06","22:31:55",""
"7244898","10.574","0.0006","10.9521","0.0007","11.457","0.0008","109.58","0.002","98.665","0.002","117.163","0.002","1036.68","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.1084","0.0586","","","0.1659","0.1981","","","","","","1.068","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244899","9.967","0.007","10.881","0.008","9.994","0.007","90","","105.28","0.02","90","","1045.5","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0452","0.0377","","","0.1121","0.1235","","","","","","0.921","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244900","10.5787","0.0006","10.9535","0.0006","11.4597","0.0007","109.577","0.002","98.666","0.002","117.16","0.002","1037.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0865","0.0541","","","0.1599","0.186","","","","","","0.97","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244901","12.8824","0.0008","19.0447","0.0011","15.1918","0.0011","90","","98.548","0.005","90","","3685.8","0.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I4 O4 -","- C40 H28 I4 O4 -","- C160 H112 I16 O16 -","4","0.5","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","1.54178","CuKα","","0.1554","0.099","","","0.2093","0.2351","","","","","","1.072","","","","has coordinates","275153","2022-05-06","22:33:55",""
"7244902","12.9348","0.0002","22.8426","0.0004","39.6053","0.0006","90","","90","","90","","11702","0.3","200","","200","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C56 H60 I4 N4 O5 -","- C56 H60 I4 N4 O5 -","- C448 H480 I32 N32 O40 -","8","0.25","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0338","0.0246","","","0.0543","0.0601","","","","","","1.067","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244903","13.2357","0.0016","15.3241","0.0018","15.3955","0.0019","112.406","0.002","101.238","0.002","99.482","0.002","2731.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 I4 O8 -","- C56 H60 I4 O8 -","- C112 H120 I8 O16 -","2","1","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0557","0.0402","","","0.0922","0.1002","","","","","","1.048","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244904","13.1998","0.0018","14.997","0.002","30.958","0.004","100.754","0.004","90.152","0.004","105.402","0.004","5795.7","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H56 Cl4 I4 N8 O4 -","- C54 H56 Cl4 I4 N8 O4 -","- C216 H224 Cl16 I16 N32 O16 -","4","2","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0969","0.0743","","","0.1778","0.1919","","","","","","1.077","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244905","7.979","0.0012","16.281","0.003","9.8619","0.0014","90","","98.16","0.004","90","","1268.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 N4 O6 V2 -","- C26 H20 Br2 N4 O6 V2 -","- C52 H40 Br4 N8 O12 V4 -","2","0.5","","Borah, Rakhimoni; Lahkar, Surabhi; Deori, Naranarayan; Brahma, Sanfaori","Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes","RSC Advances","2022","12","22","13740","13748","10.1039/D2RA01448C","","","0.71073","MoKα","","0.0588","0.0428","","","0.0791","0.0842","","","","","","1.06","","","","has coordinates","275179","2022-05-07","01:07:10",""
"7244906","6.6846","0.0007","8.3382","0.0009","30","0.003","90","","90.978","0.003","90","","1671.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N3 O3 V -","- C17 H20 N3 O3 V -","- C68 H80 N12 O12 V4 -","4","2","","Borah, Rakhimoni; Lahkar, Surabhi; Deori, Naranarayan; Brahma, Sanfaori","Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes","RSC Advances","2022","12","22","13740","13748","10.1039/D2RA01448C","","","0.71073","MoKα","","0.041","0.0331","","","0.0845","0.0894","","","","","","1.049","","","","has coordinates","275179","2022-05-07","01:07:11",""
"7244907","6.7682","0.0007","3.9248","0.0004","13.5199","0.0015","90","","92.765","0.01","90","","358.72","0.07","270","2","270","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[HImidazole][(NbOF4]","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.5","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","","0.71073","MoKα","","0.092","0.0895","","","0.2225","0.2241","","","","","","1.242","","","","has coordinates,has disorder","275307","2022-05-10","22:30:48",""
"7244908","13.529","0.001","6.8257","0.0005","3.9372","0.0002","90","","90","","90","","363.58","0.04","305.38","0.1","305.38","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","[HImidazole](NbOF4)","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.25","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","x-ray","0.71073","MoKα","","0.0429","0.0374","","","0.0929","0.0972","","","","","","1.193","","","","has coordinates,has disorder","275307","2022-05-10","22:30:49",""
"7244909","20.5241","0.0016","10.072","0.0008","19.8797","0.0016","90","","115.305","0.001","90","","3715.2","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C75 H12 -","- C75 H12 -","- C300 H48 -","4","1","","Chang, Wei-Wei; He, Fa-Hui; García-Peñas, Alberto; Shekh, Mehdihasan I.; Li, Zong-Jun","Reactions of [60]fullerene with alkynes promoted by OH−","RSC Advances","2022","12","22","14018","14021","10.1039/D2RA01300B","","","0.71073","MoKα","","0.1342","0.0516","","","0.0832","0.1065","","","","","","0.966","","","","has coordinates","275317","2022-05-11","01:09:39",""
"7244910","16.8382","0.0014","9.3932","0.0008","21.5579","0.0018","90","","112.592","0.001","90","","3148","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Dy N15 O5 -","- C27 H28 Dy N15 O5 -","- C108 H112 Dy4 N60 O20 -","4","1","","Hu, Biao; Xi, Jing; Cen, Peipei; Guo, Yan; Ding, Yi; Qin, Yuanyuan; Zhang, Yi-Quan; Liu, Xiangyu","A mononuclear nine-coordinated Dy(iii) complex exhibiting field-induced single-ion magnetism behaviour","RSC Advances","2022","12","22","13992","13998","10.1039/D2RA02260E","","","0.71073","MoKα","","0.0633","0.0374","","","0.0797","0.1029","","","","","","1.084","","","","has coordinates,has disorder","275318","2022-05-11","01:10:00",""
"7244911","7.812","0.003","10.859","0.004","12.709","0.005","89.402","0.015","72.201","0.009","79.402","0.011","1007.8","0.7","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H29 Co2 N3 O14 P3 -","- C9 H29 Co2 N3 O14 P3 -","- C18 H58 Co4 N6 O28 P6 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0994","0.0633","","","0.1329","0.1454","","","","","","1.049","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244912","11.295","0.001","12.017","0.0008","16.7188","0.0013","90","","103.271","0.003","90","","2208.7","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co5 N6 O32 P6 -","- C18 H64 Co5 N6 O32 P6 -","- C36 H128 Co10 N12 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0291","0.0257","","","0.0673","0.0696","","","","","","1.064","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244913","23.971","0.004","7.8678","0.0013","22.429","0.004","90","","93.589","0.008","90","","4221.8","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H31 Co2 N3 O15 P3 -","- C9 H31 Co2 N3 O15 P3 -","- C72 H248 Co16 N24 O120 P24 -","8","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0776","0.0467","","","0.0944","0.109","","","","","","1.018","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244914","12.79","0.016","14.685","0.018","15.514","0.019","103.49","0.05","108.36","0.05","103.32","0.06","2539","6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H70 Co4 N6 O34 P6 -","- C18 H50 Co4 N6 O34 P6 -","- C36 H100 Co8 N12 O68 P12 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0956","0.0739","","","0.1942","0.2099","","","","","","1.038","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244915","20.346","0.006","7.738","0.002","11.322","0.004","90","","90","","90","","1782.5","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co2 N3 O12 P3 -","- C9 H25 Co2 N3 O12 P3 -","- C36 H100 Co8 N12 O48 P12 -","4","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0636","0.0484","","","0.1021","0.1084","","","","","","1.047","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244916","11.2447","0.0008","11.958","0.0008","16.6893","0.0011","90","","103.455","0.002","90","","2182.5","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C36 H128 Co4 N12 Ni6 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0288","0.0265","","","0.0673","0.0687","","","","","","1.062","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244917","17.5983","0.0004","24.5934","0.0003","18.2648","0.0002","90","","90","","90","","7905","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","A e m 2","A 2 -2b","39","ZBM","Zn(BPDC)Mel.Mel","","- C20 H22 N12 O4 Zn -","- C13.3333 H8 N8 O2.66667 Zn0.666667 -","- C160 H96 N96 O32 Zn8 -","12","1.5","","Fu, Xiaochen; Sale, Matthew; Ding, Bowen; Lewis, William; Silvester, Debbie S.; Ling, Chris D.; D'Alessandro, Deanna Michelle","Hydrogen-Bonding 2D Coordination Polymer for Enzyme-Free Electrochemical Glucose Sensing","CrystEngComm","2022","","","","","10.1039/D2CE00240J","","","1.54178","CuKα","","0.0482","0.0461","","","0.1255","0.1271","","","","","","1.036","","","","has coordinates,has disorder","275381","2022-05-12","22:41:53",""
"7244918","16.394","0.001","6.4768","0.0004","38.606","0.002","90","","93.249","0.003","90","","4092.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,2,4,5-tetrafluoro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C21 H13 F4 I2 N O2 -","- C21 H13 F4 I2 N O2 -","- C168 H104 F32 I16 N8 O16 -","8","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0396","0.0261","","","0.0447","0.0477","","","","","","1.02","","","","has coordinates","275382","2022-05-12","22:42:37",""
"7244919","6.267","0.0001","11.0627","0.0002","12.1817","0.0003","76.276","0.002","83.834","0.002","83.2","0.002","811.91","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","1","0.5","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","1.54184","CuKα","","0.0328","0.0303","","","0.0712","0.0737","","","","","","1.045","","","","has coordinates,has disorder","275382","2022-05-12","22:42:38",""
"7244920","8.2756","0.0002","10.2186","0.0003","11.8757","0.0004","114.572","0.001","92.194","0.002","107.358","0.002","856.35","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hemikis(1,2,4,5-tetrachloro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C18 H13 Cl2 I N O2 -","- C18 H13 Cl2 I N O2 -","- C36 H26 Cl4 I2 N2 O4 -","2","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0185","0.0162","","","0.0377","0.0388","","","","","","1.11","","","","has coordinates","275382","2022-05-12","22:42:38",""
"7244921","5.0082","0.0005","5.8251","0.0006","27.1828","0.0018","89.569","0.005","87.332","0.004","85.969","0.004","790.18","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1383","0.0582","","","0.1075","0.1249","","","","","","0.898","","","","has coordinates","275418","2022-05-13","22:35:44",""
"7244922","4.9082","0.0005","5.8283","0.0004","30.957","0.002","94.893","0.004","90.969","0.005","94.432","0.005","879.46","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H14 Hg N5 S15 -","- C28.5 H14 Hg N4.5 S14.5 -","- C28.5 H14 Hg N4.5 S14.5 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1335","0.0783","","","0.1948","0.2135","","","","","","1.066","","","","has coordinates","275418","2022-05-13","22:35:48",""
"7244923","4.9247","0.0005","5.8358","0.0006","27.238","0.003","89.421","0.005","86.821","0.006","85.326","0.006","778.99","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1139","0.1021","","","0.3053","0.3151","","","","","","1.053","","","","has coordinates","288177","2023-12-08","09:21:14",""
"7244924","4.9017","0.0004","5.7793","0.0005","27.0165","0.0015","89.533","0.005","87.164","0.004","84.996","0.004","761.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H7 Ag0.25 N1.5 S6 -","- C13.5 H7 Ag0.25 N1.5 S6 -","- C27 H14 Ag0.5 N3 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1703","0.1352","","","0.3116","0.3237","","","","","","1.129","","","","has coordinates,has disorder","275418","2022-05-13","22:35:48",""
"7244925","4.9143","0.0002","54.6015","0.0016","5.7336","0.0002","90","","95.395","0.002","90","","1531.67","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H14 Ag0.5 N3 S13 -","- C27 H14 Ag0.5 N3 S13 -","- C54 H28 Ag N6 S26 -","2","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1087","0.0751","","","0.1779","0.1912","","","","","","1.073","","","","has coordinates,has disorder","275418","2022-05-13","22:35:49",""
"7244926","8.8592","0.0005","10.4121","0.0005","16.3491","0.0009","76.466","0.001","82.135","0.001","70.542","0.001","1379.61","0.13","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0688","0.0404","","","0.0834","0.0945","","","","","","1.028","","","","has coordinates","275419","2022-05-13","22:37:48",""
"7244927","8.7287","0.0005","10.5188","0.0006","16.3288","0.0009","76.907","0.001","84.511","0.001","71.759","0.001","1386.38","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.027","","","0.0619","0.0667","","","","","","1.025","","","","has coordinates","275419","2022-05-13","22:37:51",""
"7244928","8.692","0.0005","10.4924","0.0006","16.3349","0.001","77.225","0.001","83.85","0.001","71.877","0.001","1379.61","0.14","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0908","0.0438","","","0.0813","0.0997","","","","","","0.974","","","","has coordinates","275419","2022-05-13","22:37:54",""
"7244929","8.7941","0.0005","10.4848","0.0006","16.2937","0.001","76.622","0.001","84.249","0.001","71.69","0.001","1386.97","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0617","0.0371","","","0.07","0.0799","","","","","","0.966","","","","has coordinates","275419","2022-05-13","22:37:56",""
"7244930","11.1742","0.0007","11.4148","0.0005","20.2335","0.0012","90","","98.288","0.006","90","","2553.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0899","0.0574","","","0.12","0.1332","","","","","","1.098","","","","has coordinates","275420","2022-05-13","22:38:35",""
"7244931","10.7263","0.0003","11.7","0.0004","21.7531","0.0007","90","","99.441","0.003","90","","2692.99","0.15","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.037","","","0.099","0.105","","","","","","1.062","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244932","11.2148","0.0006","11.48","0.0004","20.4163","0.001","90","","98.314","0.005","90","","2600.9","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.1142","0.0654","","","0.1408","0.161","","","","","","1.074","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244933","11.2176","0.0006","11.4699","0.0004","20.3726","0.0009","90","","98.28","0.004","90","","2593.9","0.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0936","0.0572","","","0.1125","0.126","","","","","","1.1","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244934","10.8131","0.0004","11.8013","0.0005","21.8679","0.0007","90","","99.875","0.003","90","","2749.19","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0536","0.0381","","","0.1043","0.1141","","","","","","1.039","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244935","10.7423","0.0003","11.7166","0.0004","21.8606","0.0008","90","","99.702","0.003","90","","2712.09","0.16","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.0353","","","0.0962","0.1034","","","","","","1.056","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244936","28.773","0.004","7.4823","0.0005","7.5607","0.0005","90","","91.416","0.009","90","","1627.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDBS-nBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1243","0.0933","","","0.2209","0.2346","","","","","","1.106","","","","has coordinates","275421","2022-05-13","22:39:44",""
"7244937","27.9234","0.0007","7.4749","0.0002","7.6043","0.0002","90","","94.855","0.003","90","","1581.51","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-isoBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0736","0.053","","","0.1326","0.1441","","","","","","1.042","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244938","6.3519","0.0006","6.3675","0.0005","21.247","0.0011","86.182","0.005","83.257","0.006","63.396","0.009","762.95","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","BTDS-tBuA","","- C14 H18 N O3 S2 -","- C14 H18 N O3 S2 -","- C28 H36 N2 O6 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0758","0.0677","","","0.1913","0.203","","","","","","1.05","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244939","16.8387","0.0011","6.0329","0.0004","13.8772","0.001","90","","102.928","0.007","90","","1374","0.17","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BTDBS","","- C24 H30 O12 S4 -","- C24 H30 O12 S4 -","- C48 H60 O24 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1177","0.064","","","0.1502","0.1816","","","","","","0.927","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244940","23.2637","0.0008","6.0279","0.0002","11.1259","0.0003","90","","97.013","0.003","90","","1548.53","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-rac-sec-BuA","","- C28 H34 N2 O6 S4 -","- C27.184 H33.552 N2 O6 S4 -","- C54.368 H67.104 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0575","0.0469","","","0.1404","0.1492","","","","","","1.062","","","","has coordinates,has disorder","275421","2022-05-13","22:39:45",""
"7244941","5.6878","0.0001","7.8658","0.0001","16.9636","0.0002","86.368","0.001","89.98","0.001","89.868","0.001","757.41","0.019","213","","213","","","","","","","","","3","P -1","-P 1","2","","BTDPh","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0615","0.0594","","","0.144","0.1446","","","","","","1.221","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244942","12.3026","0.0001","10.1928","0.0001","56.9658","0.0004","90","","94.734","0.001","90","","7119.02","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 Se -","- C12 H12 N2 O2 Se -","- C288 H288 N48 O48 Se24 -","24","6","","Murata, Yuki; Tsuchida, Saori; Nezaki, Rena; Kitamura, Yuki; Matsumura, Mio; Yasuike, Shuji","Silver-catalyzed three-component reaction of uracils, arylboronic acids, and selenium: synthesis of 5-arylselanyluracils","RSC Advances","2022","12","23","14502","14508","10.1039/D2RA01685K","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.0995","0.1006","","","","","","1.237","","","","has coordinates","275425","2022-05-14","01:06:46",""
"7244943","9.407","0.003","11.689","0.004","12.393","0.004","115.971","0.004","102.307","0.002","91.501","0.002","1185.8","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N4 S -","- C28 H24 N4 S -","- C56 H48 N8 S2 -","2","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","5-N-Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing","RSC Advances","2022","12","23","14698","14706","10.1039/D2RA01694J","","","0.71075","MoKα","","0.06","0.0468","","","0.1271","0.1347","","","","","","0.965","","","","has coordinates","275473","2022-05-17","01:12:42",""
"7244944","15.905","0.0011","8.6642","0.0004","20.567","0.0009","90","","107.528","0.006","90","","2702.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N4 Ni S -","- C28 H24 Cl2 N4 Ni S -","- C112 H96 Cl8 N16 Ni4 S4 -","4","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","5-N-Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing","RSC Advances","2022","12","23","14698","14706","10.1039/D2RA01694J","","","0.71073","MoKα","","0.0891","0.0648","","","0.1722","0.1997","","","","","","1.062","","","","has coordinates","275473","2022-05-17","01:12:43",""
"7244945","9.0918","0.0007","11.6305","0.0009","13.6079","0.0011","74.944","0.003","89.612","0.003","67.549","0.003","1277.31","0.18","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl2 Co N4 O5 -","- C28 H19 Cl2 Co N4 O5 -","- C56 H38 Cl4 Co2 N8 O10 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0443","0.0355","","","0.0927","0.0988","","","","","","1.026","","","","has coordinates","275493","2022-05-17","22:34:04",""
"7244946","8.475","0.0006","11.172","0.0008","13.5758","0.001","101.581","0.003","91.522","0.003","100.108","0.002","1237.13","0.16","189.98","","189.98","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Co N4 O4 -","- C32 H21 Co N4 O4 -","- C64 H42 Co2 N8 O8 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0909","0.0692","","","0.1978","0.2163","","","","","","1.055","","","","has coordinates","275493","2022-05-17","22:34:05",""
"7244947","12.72729","0.00008","5.5688","0.00005","25.1187","0.0002","90","","92.836","0.0007","90","","1778.13","0.02","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F2 N O2 S -","- C22 H15 F2 N O2 S -","- C88 H60 F8 N4 O8 S4 -","4","1","","Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao","An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway","Green Chemistry","2022","24","11","4425","4431","10.1039/D2GC00151A","","x-ray","1.54184","CuKα","","0.0342","0.0336","","","0.0894","0.0899","","","","","","1.033","","","","has coordinates","276628","2022-07-06","08:13:21",""
"7244948","12.5262","0.0004","5.4497","0.0002","25.0014","0.0009","90","","93.991","0.003","90","","1702.56","0.1","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao","An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway","Green Chemistry","2022","24","11","4425","4431","10.1039/D2GC00151A","","x-ray","0.71073","MoKα","","0.0409","0.0353","","","0.0989","0.102","","","","","","1.081","","","","has coordinates","276628","2022-07-06","08:13:21",""
"7244949","12.7428","0.0006","9.5341","0.0003","8.5326","0.0003","90","","90","","90","","1036.64","0.07","413","5","413","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.059","","","0.0741","0.0761","","","","3.74","3.74","3.24","","","","has coordinates","275527","2022-05-18","22:41:06",""
"7244950","12.7477","0.0005","9.5347","0.0003","8.5287","0.0003","90","0.003","90","0.003","90","0.003","1036.63","0.06","393","5","393","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.0599","","","0.0744","0.0761","","","","3.73","3.73","3.21","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244951","12.7504","0.0005","9.537","0.0003","8.5317","0.0003","90","","90","","90","","1037.46","0.06","383","4","383","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.9992 B6 I O10 -","- Ag11.9968 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0798","0.0596","","","0.0716","0.0732","","","","3.69","3.69","3.16","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244952","12.7702","0.0006","9.5617","0.0004","8.5156","0.0004","90","","90","","90","","1039.8","0.08","573","0.5","573","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1187","0.0581","","","0.0571","0.0628","","","","3.16","3.16","2.39","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244953","12.8162","0.0006","9.9063","0.0005","7.6762","0.0004","90","","90","","90","","974.58","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B6 I Na3 O10 -","- B6 I Na3 O10 -","- B24 I4 Na12 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0394","0.0277","","","0.0296","0.0309","","","","1.44","1.44","1.33","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244954","12.7566","0.0015","9.705","0.0012","8.4295","0.001","90","","90","","90","","1043.6","0.2","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0471","0.0311","","","0.0358","0.0378","","","","1.83","1.83","1.66","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244955","12.7726","0.0007","9.5739","0.0005","8.4899","0.0005","90","","90","","90","","1038.18","0.1","673","0.6","673","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.998 B6 I O10 -","- Ag11.992 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1045","0.0598","","","0.0631","0.0681","","","","3","3","2.37","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244956","6.6514","0.0003","7.1118","0.0003","12.5709","0.0003","103.594","0.003","96.171","0.003","98.824","0.004","564.73","0.04","139","20","139","20","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O6 -","- C12 H12 O6 -","- C24 H24 O12 -","2","1","","Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E.","Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01235A","","x-ray","0.71073","MoKα","","0.0395","0.0347","","","0.1012","0.1058","","","","","","1.046","","","","has coordinates","275537","2022-05-19","00:56:29",""
"7244957","6.018","0.0002","8.1483","0.0004","9.6871","0.0003","90","","90","","90","","475.02","0.03","120.1","0.3","120.1","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N2 -","- C4 H6 N2 -","- C16 H24 N8 -","4","1","","Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E.","Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01235A","","x-ray","0.71073","MoKα","","0.0584","0.0509","","","0.1362","0.1406","","","","","","1.041","","","","has coordinates","275537","2022-05-19","00:56:30",""
"7244958","7.51259","0.00018","9.8167","0.0003","11.1108","0.0002","73.303","0.002","82.2052","0.0017","77.655","0.002","764.3","0.03","120","0.3","120","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E.","Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01235A","","x-ray","0.71073","MoKα","","0.0431","0.0358","","","0.1056","0.1137","","","","","","1.036","","","","has coordinates","275537","2022-05-19","00:56:30",""
"7244959","18.2765","0.0012","6.1664","0.0003","35.009","0.002","90","","90.6002","0.0019","90","","3945.3","0.4","290","1","290","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","","Kim, Paul; Lee, In-Seo; Kim, Ji-Yoon; Mswahili, Medard E.; Jeong, Young-Seob; Yoon, Woo-Jin; Yun, Ho-Seop; Lee, Min-Jeong; Choi, Guang J.","A study to discover novel pharmaceutical cocrystals of pelubiprofen with a machine learning approach compared","CrystEngComm","2022","","","","","10.1039/D2CE00153E","","","0.7107","MoKα","","0.1105","0.0489","","","0.1314","0.1792","","","","","","1.133","","","","has coordinates","275560","2022-05-19","22:32:49",""
"7244960","6.2836","0.0013","10.928","0.002","12.159","0.002","108.19","0.03","99.76","0.03","104.73","0.03","738.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl N2 O3 -","- C15 H15 Cl N2 O3 -","- C30 H30 Cl2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0821","0.0548","","","0.1157","0.1288","","","","","","1.031","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244961","6.6479","0.0013","10.089","0.002","12.122","0.002","106.54","0.03","100.99","0.03","91.53","0.03","762.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0774","0.0563","","","0.1194","0.1303","","","","","","1.032","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244962","8.5655","0.0003","25.6875","0.0012","7.7171","0.0003","90","","99.014","0.001","90","","1677","0.12","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F3 N2 O S -","- C19 H13 F3 N2 O S -","- C76 H52 F12 N8 O4 S4 -","4","1","","Chen, Shiliu; Yan, Qinqin; Fan, Jie; Gao, Yongjun; Yang, Xiulong; Li, Lijun; Liu, Zhongquan; Li, Zejiang","Photoinduced cascade cyclization of alkynes with NH4SCN: access to SCN-containing dibenzazepines or dioxodibenzothiazepines","Green Chemistry","2022","24","12","4742","4747","10.1039/D2GC01276F","","","0.71073","MoKα","","0.0929","0.0504","","","0.093","0.1122","","","","","","1.046","","","","has coordinates","276630","2022-07-06","08:13:34",""
"7244963","5.64","0.02","23.42","0.1","24.97","0.09","90","","90","","90","","3298","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 O2 S -","- C17 H20 O2 S -","- C136 H160 O16 S8 -","8","1","","Sharma, Deepak; Hussain, Yaseen; Sharma, Manisha; Chauhan, Pankaj","Electrochemical cascade synthesis of α-thio-substituted masked aldehydes","Green Chemistry","2022","24","12","4783","4788","10.1039/D2GC00845A","","","0.71073","MoKα","","0.1141","0.0654","","","0.1669","0.212","","","","","","1.071","","","","has coordinates","276631","2022-07-06","08:13:42",""
"7244964","10.7631","0.0015","5.4109","0.0008","4.9961","0.0007","90","","96.295","0.006","90","","289.21","0.07","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","nickel ammine oxalate","","- C2 H6 N2 Ni O4 -","- C2 H6 N2 Ni O4 -","- C4 H12 N4 Ni2 O8 -","2","0.25","","Ma, Huan; Liu, Zhiyong; Liu, Zhihong","The formation mechanism of fibrous metal oxalate prepared by ammonia coordination method","RSC Advances","2022","12","24","15251","15260","10.1039/D2RA00605G","","","0.71073","MoKα","","0.014","0.014","","","0.0362","0.0362","","","","","","1.118","","","","has coordinates","275568","2022-05-20","01:04:57",""
"7244965","10.1212","0.0003","10.9593","0.0003","15.0495","0.0004","99.2496","0.0019","96.1945","0.0017","107.955","0.0016","1545.16","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 Co N4 O9 -","- C31 H36 Co N4 O9 -","- C62 H72 Co2 N8 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.1239","0.0559","","","0.1012","0.1207","","","","","","1.004","","","","has coordinates","275587","2022-05-20","22:45:33",""
"7244966","10.166","0.0012","10.6958","0.0012","11.4013","0.0013","95.187","0.003","93.313","0.003","93.016","0.002","1230.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Co1.5 N2 O12 -","- C21 H30 Co1.5 N2 O12 -","- C42 H60 Co3 N4 O24 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0632","0.0433","","","0.1044","0.1139","","","","","","1.039","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244967","15.0213","0.0015","15.7466","0.0015","16.7676","0.0016","88.056","0.005","70.721","0.004","86.869","0.005","3737.6","0.6","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 Co2 N8 O29 -","- C62 H94 Co2 N8 O29 -","- C124 H188 Co4 N16 O58 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0935","0.0539","","","0.1409","0.1644","","","","","","1.033","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244968","17.2258","0.0006","17.7139","0.0005","20.0489","0.0006","90","","97.2443","0.0017","90","","6068.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Co3 N4 O24 -","- C50 H73.5 Co3 N4 O24 -","- C200 H294 Co12 N16 O96 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0824","0.0791","","","0.1735","0.1752","","","","","","1.054","","","","has coordinates,has disorder","275587","2022-05-20","22:45:34",""
"7244969","8.858","0.0002","9.5201","0.0002","9.7104","0.0002","101.608","0.002","109.911","0.002","92.242","0.002","749","0.03","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang","Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2","Green Chemistry","2022","24","16","6100","6107","10.1039/D2GC01256A","","x-ray","1.3405","synchrotron","","0.0556","0.0443","","","0.1139","0.1197","","","","","","1.0649","","","","has coordinates","278424","2022-10-07","00:56:03",""
"7244970","9.5909","0.0004","23.7105","0.0009","10.2921","0.0004","90","","106.352","0.004","90","","2245.8","0.16","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C112 H128 O8 -","4","1","","Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang","Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2","Green Chemistry","2022","24","16","6100","6107","10.1039/D2GC01256A","","x-ray","1.3405","GaKα","","0.0572","0.0451","","","0.1212","0.1295","","","","","","1.106","","","","has coordinates","278424","2022-10-07","00:56:04",""
"7244971","17.1509","0.0005","8.369","0.0002","17.487","0.0005","90","","106.949","0.008","90","","2400.99","0.15","20","0","20","0","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 O6 -","- C10 H12 N4 O6 -","- C80 H96 N32 O48 -","8","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","","0.30988","synchrotron","","0.0455","0.033","","","0.0833","0.0872","","","","","","1.024","","","","has coordinates","275622","2022-05-24","01:11:24",""
"7244972","24.3625","0.0002","3.7781","0.0001","8.4798","0.0001","90","","90","","90","","780.51","0.02","150","0","150","0","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","","0.71073","MoKα","","0.053","0.0491","","","0.126","0.1283","","","","","","1.298","","","","has coordinates","275622","2022-05-24","01:11:25",""
"7244973","5.1556","0.0001","5.3251","0.0001","8.1942","0.0001","108.108","0.001","101.244","0.001","95.265","0.001","206.898","0.006","149.9","0.5","149.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","x-ray","0.71073","MoKα","","0.0402","0.0388","","","0.1132","0.1143","","","","","","1.053","","","","has coordinates","275622","2022-05-24","01:11:25",""
"7244974","16.21","0.002","10.5207","0.0016","6.336","0.0009","90","","90","","90","","1080.5","0.3","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0566","0.048","","","0.1277","0.1333","","","","","","0.979","","","","has coordinates,has disorder","275628","2022-05-24","22:30:44",""
"7244975","16.3415","0.001","10.6382","0.0006","6.3897","0.0004","90","","90","","90","","1110.81","0.12","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd -","- C8 H14 N4 O4 Pd -","- C32 H56 N16 O16 Pd4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.0207","","","0.0592","0.06","","","","","","1.093","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244976","16.2744","0.0011","10.6919","0.0007","6.3727","0.0004","90","","90","","90","","1108.88","0.13","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pt -","- C8 H14 N4 O4 Pt -","- C32 H56 N16 O16 Pt4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.017","","","0.0439","0.0456","","","","","","1.111","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244977","10.5843","0.0008","16.3239","0.0011","6.3513","0.0004","90","","90","","90","","1097.36","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.54 O4 Pt0.45 -","- C8 H14 N4 Ni0.551 O4 Pt0.449 -","- C32 H56 N16 Ni2.204 O16 Pt1.796 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0303","0.0229","","","0.0542","0.0561","","","","","","1.123","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244978","10.5483","0.0007","16.3439","0.001","6.3648","0.0004","90","","90","","90","","1097.29","0.12","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.6 O4 Pd0.4 -","- C8 H14 N4 Ni0.599 O4 Pd0.401 -","- C32 H56 N16 Ni2.396 O16 Pd1.604 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0251","0.0219","","","0.0538","0.0554","","","","","","1.103","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244979","16.3923","0.0012","10.6456","0.0007","6.398","0.0004","90","","90","","90","","1116.49","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd0.5 Pt0.5 -","- C8 H14 N4 O4 Pd0.507 Pt0.493 -","- C32 H56 N16 O16 Pd2.028 Pt1.972 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0277","0.0214","","","0.0572","0.0605","","","","","","1.089","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244980","27.174","0.007","40.969","0.012","41.406","0.012","90","","90","","90","","46097","2","190","1","190","1","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","nanocage-1","","- C408 H548 Cd24 N24 Nd8 O144 -","- C408 H548 Cd24 N24 Nd8 O144 -","- C816 H1096 Cd48 N48 Nd16 O288 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Liu, Xiaoming; Schipper, Desmond","A high-nuclearity Cd(II)-Nd(III) nanocage for the rapid ratiometric fluorescent detection of quercetin","CrystEngComm","2022","","","","","10.1039/D2CE00556E","","","0.71073","MoKα","","0.2066","0.0994","","","0.2103","0.2359","","","","","","1.046","","","","has coordinates","275629","2022-05-24","22:31:52",""
"7244981","29.8693","0.0016","29.8693","0.0016","21.918","0.003","90","","90","","90","","19555","3","190","1","190","1","","","","","","","","6","P 4 n c","P 4 -2n","104","","cluster-1","","- C272 H264 Cd8 N16 O68 Tb4 -","- C272 H264 Cd8 N16 O68 Tb4 -","- C544 H528 Cd16 N32 O136 Tb8 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Cd8Tb4 nanoring for luminescence response to 2,6-dipicolinic acid as an anthrax biomarker","CrystEngComm","2022","","","","","10.1039/D2CE00502F","","","0.71073","MoKα","","0.2175","0.098","","","0.174","0.2272","","","","","","0.934","","","","has coordinates","275630","2022-05-24","22:32:26",""
"7244982","12.891","0.006","8.629","0.005","15.51","0.007","90","","111.57","0.02","90","","1604.5","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N3 O8 -","- C32 H39 N3 O8 -","- C64 H78 N6 O16 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54184","CuKα","","0.0474","0.0332","","","0.0803","0.0836","","","","","","1.062","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244983","11.2293","0.0006","8.1032","0.0005","11.2293","0.0006","90","","100.54","","90","","1004.55","0.1","274","2","274","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C40 H52 N4 O12 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54178","CuKα","","0.0439","0.0434","","","0.1008","0.1016","","","","","","1.091","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244984","9.8859","0.001","9.9067","0.0009","23.766","0.002","89.459","0.007","81.983","0.008","73.84","0.008","2212.7","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 N3 O2 S -","- C27 H21 N3 O2 S -","- C108 H84 N12 O8 S4 -","4","2","","Meng, Xiangtai; Xu, Hehua; Liu, Rui; Zheng, Yu; Huang, Shenlin","Electrochemical triamination of alkynes: controllable synthesis of functionalized indolines and indoles","Green Chemistry","2022","24","12","4754","4760","10.1039/D2GC01129H","","x-ray","0.71073","MoKα","","0.1101","0.0888","","","0.1899","0.2028","","","","","","1.068","","","","has coordinates","276629","2022-07-06","08:13:27",""
"7244985","8.5563","0.001","11.6457","0.0013","12.4602","0.0016","75.907","0.011","77.454","0.011","74.029","0.01","1142.6","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C50 H52 N4 O8 S2 -","2","1","","Meng, Xiangtai; Xu, Hehua; Liu, Rui; Zheng, Yu; Huang, Shenlin","Electrochemical triamination of alkynes: controllable synthesis of functionalized indolines and indoles","Green Chemistry","2022","24","12","4754","4760","10.1039/D2GC01129H","","x-ray","0.71073","MoKα","","0.0535","0.0426","","","0.1018","0.1089","","","","","","1.027","","","","has coordinates","276629","2022-07-06","08:13:28",""
"7244986","9.2325","0.0006","10.3765","0.0007","12.0442","0.0008","77.914","0.004","82.549","0.004","81.437","0.004","1109.89","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Mani, Suresh; Raju, Rajesh; Raghunathan, Raghavacharry; Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Perumal, Karthikeyan","Environmentally friendly domino multicomponent strategy for the synthesis of pyrroloquinolinone hybrid heterocycles","RSC Advances","2022","12","24","15440","15446","10.1039/D2RA02851D","","","0.71073","MoKα","","0.0627","0.044","","","0.1098","0.1217","","","","","","1.027","","","","has coordinates","275654","2022-05-26","01:19:33",""
"7244987","12.377","0.003","9.4953","0.0013","10.2036","0.0015","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H22.5 Fe N7.5 O3.5 -","- C22.5 H22.5 Fe N7.5 O3.5 -","- C45 H45 Fe2 N15 O7 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.1393","0.0775","","","0.1142","0.1381","","","","","","1","","","","has coordinates,has disorder","275659","2022-05-26","22:30:49",""
"7244988","12.2124","0.0005","9.47","0.0004","10.267","0.0006","90","","90","","90","","1187.39","0.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H24 Co N8 O3 -","- C24 H24 Co N8 O3 -","- C48 H48 Co2 N16 O6 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.0537","0.0421","","","0.077","0.0828","","","","","","1.003","","","","has coordinates,has disorder","275659","2022-05-26","22:30:50",""
"7244989","5.692","0.001","10.588","0.002","10.925","0.002","90","","93.14","0.03","90","","657.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 Br2 N O5 -","- C9 H13 Br2 N O5 -","- C18 H26 Br4 N2 O10 -","2","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.7","Synchrotron","","0.0446","0.0445","","","0.1096","0.1097","","","","","","1.139","","","","has coordinates","275660","2022-05-26","22:31:26",""
"7244990","7.3436","0.0002","7.4422","0.0002","20.8254","0.0007","90","","90","","90","","1138.16","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cl2 N O4 -","- C9 H11 Cl2 N O4 -","- C36 H44 Cl8 N4 O16 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.71073","MoKα","","0.0186","0.0181","","","0.0505","0.0508","","","","","","1.078","","","","has coordinates","275660","2022-05-26","22:31:27",""
"7244991","12.3437","0.0015","8.2271","0.001","22.439","0.003","90","","102.322","0.002","90","","2226.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE FUMARATE (1:1) SALT","","- C20 H24 N4 O7 S -","- C20 H24 N4 O7 S -","- C80 H96 N16 O28 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0555","0.0496","","","0.1273","0.1318","","","","","","1.094","","","","has coordinates","275671","2022-05-27","22:30:24",""
"7244992","8.9904","0.001","11.8567","0.0013","18.285","0.002","90","","102.807","0.002","90","","1900.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE OXALATE SALT","","- C17 H21 N4 O5 S -","- C17 H21 N4 O5 S -","- C68 H84 N16 O20 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0666","0.0614","","","0.1355","0.1384","","","","","","1.207","","","","has coordinates","275671","2022-05-27","22:30:32",""
"7244993","20.8221","0.0017","12.0329","0.001","17.7085","0.0015","90","","113.465","0.001","90","","4070","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.56 H44.24 N8 O10.56 S2 -","- C34.56 H44.24 N8 O10.56 S2 -","- C138.24 H176.96 N32 O42.24 S8 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0775","0.0578","","","0.1399","0.1506","","","","","","1.104","","","","has coordinates,has disorder","275671","2022-05-27","22:30:39",""
"7244994","23.557","0.003","23.557","0.003","12.4259","0.0016","90","","90","","90","","6895.5","1.5","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C16.61 H102.08 Cl N O33.04 -","- C16.6111 H85.293 Cl1.026 N O34.2641 -","- C83.0556 H426.465 Cl5.13 N5 O171.32 -","5","0.625","","Muromachi, Sanehiro; Takeya, Satoshi; Alavi, Saman; Ripmeester, John A.","Structural CO2 capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride","CrystEngComm","2022","","","","","10.1039/D2CE00598K","","","0.7107","MoKα","","0.0877","0.0595","","","0.1563","0.1746","","","","","","1.03","","","","has coordinates,has disorder","275672","2022-05-27","22:31:28",""
"7244995","12.15","0.0002","13.1041","0.0002","13.7735","0.0002","90","","112.503","0.002","90","","2025.97","0.06","292.1","0.8","292.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Cl N2.5 -","- C12 H5.5 Cl N2.5 -","- C96 H44 Cl8 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0428","0.0418","","","0.1194","0.1208","","","","","","1.065","","","","has coordinates","275673","2022-05-27","22:32:10",""
"7244996","12.3323","0.0004","13.1469","0.0003","13.9845","0.0005","90","","113.945","0.004","90","","2072.19","0.13","293.74","0.1","293.74","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Br N2.5 -","- C12 H5.5 Br0.9999 N2.5 -","- C96 H44 Br7.9992 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0951","0.0963","","","","","","1.135","","","","has coordinates,has disorder","275673","2022-05-27","22:32:10",""
"7244997","14.9633","0.0003","12.6206","0.0002","8.6067","0.0001","90","","90","","90","","1625.34","0.05","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","4-((4-hydroxy-3-methoxyphenyl)(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","1","","Branković, Jovica; Milovanović, Vesna M.; Simijonović, Dušica; Novaković, Slađana; Petrović, Zorica D.; Trifunović, Snežana S.; Bogdanović, Goran A.; Petrović, Vladimir P.","Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2","RSC Advances","2022","12","25","16054","16070","10.1039/D2RA02542F","","","0.71073","MoKα","","0.0354","0.0314","","","0.0824","0.085","","","","","","1.04","","","","has coordinates","275677","2022-05-28","01:07:25",""
"7244998","11.6739","0.0009","16.4155","0.0012","9.8625","0.0007","90","","108.505","0.002","90","","1792.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O10 -","- C16 H16 N4 O10 -","- C64 H64 N16 O40 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1125","0.0554","","","0.099","0.1184","","","","","","1.056","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7244999","29.0184","0.0013","9.5952","0.0005","16.245","0.0008","90","","120.293","0.001","90","","3905.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cd N4 O11 -","- C17 H14 Cd N4 O11 -","- C136 H112 Cd8 N32 O88 -","8","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0705","0.037","","","0.0609","0.0692","","","","","","1.017","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7245000","8.0763","0.0004","13.5075","0.0007","14.4614","0.0007","102.125","0.002","98.222","0.002","105.058","0.002","1456.47","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N4 O12 -","- C17 H16 Cu N4 O12 -","- C34 H32 Cu2 N8 O24 -","2","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1024","0.079","","","0.1826","0.1936","","","","","","1.021","","","","has coordinates","275692","2022-05-30","22:37:47",""
"7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""
"7245002","12.5032","0.0004","16.2167","0.0005","16.3789","0.0006","90","","105.745","0.004","90","","3196.39","0.19","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O2 S2 Sn -","- C32 H36 N4 O2 S2 Sn -","- C128 H144 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.0651","0.0453","","","0.0887","0.0961","","","","","","1.082","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245003","12.7211","0.0013","15.4901","0.0011","15.5655","0.0016","90","","106.496","0.011","90","","2941","0.5","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 O2 S2 Sn -","- C30 H32 N4 O2 S2 Sn -","- C120 H128 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.1203","0.0654","","","0.1257","0.1502","","","","","","1.041","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245004","12.018","0.002","12.018","0.002","12.018","0.002","90","","90","","90","","1735.8","0.5","210","2","210","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Cr K N8 -","- C12 H15.9984 Cr K N7.9992 -","- C48 H63.9936 Cr4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0322","0.0309","","","0.0951","0.0976","","","","","","1.141","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245005","14.12","0.003","8.627","0.003","14.871","0.002","90","","110.7","0.02","90","","1694.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cr K N8 -","- C12 H16 Cr K N8 -","- C48 H64 Cr4 K4 N32 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.1033","0.0818","","","0.2215","0.2487","","","","","","1.078","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245006","11.843","0.002","11.843","0.002","11.843","0.002","90","","90","","90","","1661.1","0.5","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Fe K N8 -","- C12 H15.9984 Fe K N7.9992 -","- C48 H63.9936 Fe4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0393","0.0389","","","0.0969","0.0973","","","","","","1.232","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245007","9.5395","0.0005","13.2797","0.0007","20.6305","0.0012","90","","99.679","0.003","90","","2576.3","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0603","0.0457","","","0.118","0.1334","","","","","","1.051","","","","has coordinates","275707","2022-05-31","22:36:52",""
"7245008","16.5185","0.0006","9.3246","0.0003","12.658","0.0005","90","","90","","90","","1949.69","0.12","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0355","0.0317","","","0.081","0.0838","","","","","","1.038","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245009","8.8567","0.0005","12.359","0.0007","18.2675","0.001","90","","100.8","0.002","90","","1964.14","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0476","0.0397","","","0.1041","0.111","","","","","","1.03","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245010","17.3469","0.001","11.0693","0.0007","25.0564","0.0014","90","","90","","90","","4811.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.069","0.0503","","","0.1223","0.1375","","","","","","1.023","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245011","5.765","0.003","7.688","0.004","18.142","0.009","80.692","0.008","84.686","0.007","71.676","0.007","752.5","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","","0.71073","MoKα","","0.1232","0.113","","","0.3653","0.3859","","","","","","1.603","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245012","16.4937","0.0015","4.7436","0.0004","18.9806","0.0018","90","","106.926","0.005","90","","1420.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","1.54178","CuKα","","0.078","0.0516","","","0.1224","0.1354","","","","","","0.969","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245013","5.1067","0.0009","7.168","0.0008","20.766","0.003","80.476","0.004","86.864","0.006","86.423","0.005","747.44","0.19","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0479","0.0394","","","0.0876","0.092","","","","","","1.064","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245014","26.416","0.003","5.6442","0.0005","29.724","0.003","90","","103.328","0.003","90","","4312.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 S4 -","- C32 H36 N2 S4 -","- C192 H216 N12 S24 -","6","1.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0754","0.053","","","0.1018","0.1096","","","","","","1.084","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245015","10.269","0.007","10.62","0.006","18.045","0.012","100.31","0.012","95.681","0.012","108.82","0.011","1807","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","JLNU-104","","- C83 H76 Mn3 N3 O25.5 -","- C76 H52 Mn3 O24 -","- C76 H52 Mn3 O24 -","1","0.5","","Zhou, Shi; Yan, Guosong; Gao, Baihui; Jiang, Wei; Liu, Bo; Zhou, Tianyu; Liu, Chunbo; Che, Guangbo","A layered Mn-based coordination polymer as an efficient heterogeneous catalyst for CO2 cycloaddition under mild condition","CrystEngComm","2022","","","","","10.1039/D2CE00579D","","","0.71073","MoKα","","0.1877","0.1264","","","0.3214","0.3393","","","","","","1.237","","","","has coordinates","275709","2022-05-31","22:38:33",""
"7245016","17.4522","0.0005","31.6114","0.0007","18.0196","0.0003","90","","107.351","0.002","90","","9488.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N3 O22.5 Sm2 -","- C34 H23 N3 O18.5 Sm2 -","- C272 H184 N24 O148 Sm16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.0681","0.0564","","","0.1809","0.1913","","","","","","1.062","","","","has coordinates,has disorder","275725","2022-06-01","22:42:55",""
"7245017","17.5877","0.0012","31.5073","0.0011","17.9802","0.0007","90","","107.005","0.005","90","","9528","0.9","293.7","0.3","293.7","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Gd2 N3 O18 -","- C34 H23 Gd2 N3 O18 -","- C272 H184 Gd16 N24 O144 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1224","0.0703","","","0.1224","0.1423","","","","","","0.965","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245018","17.5969","0.0012","31.6237","0.0015","18.0245","0.0015","90","","107.037","0.008","90","","9590.1","1.2","291.07","0.1","291.07","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Eu2 N3 O19 -","- C34 H25 Eu2 N3 O19 -","- C272 H200 Eu16 N24 O152 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1698","0.0938","","","0.223","0.242","","","","","","1.33","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245019","17.6182","0.0012","31.3835","0.0012","17.868","0.0013","90","","106.722","0.008","90","","9461.8","1.1","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N3 O28 Tb2 -","- C34 H18 N3 O28 Tb2 -","- C272 H144 N24 O224 Tb16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","","0.71073","MoKα","","0.1537","0.0852","","","0.1298","0.1493","","","","","","1.156","","","","has coordinates","275725","2022-06-01","22:42:56",""
"7245020","7.574","0.002","21.682","0.004","5.165","0.001","90","","94.22","0.02","90","","845.9","0.3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","- C20 H40 N8 O16 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0647","0.0467","","","0.1174","0.1257","","","","","","1.074","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245021","10.06","0.002","11.679","0.003","11.18","0.003","90","","100.07","0.02","90","","1293.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N8 O6 P2 -","- C20 H28 N8 O6 P2 -","- C40 H56 N16 O12 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0602","0.056","","","0.1498","0.1557","","","","","","1.068","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245022","15.716","0.002","17.045","0.002","13.827","0.002","90","","100.46","0.01","90","","3642.4","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 N8 O20 P6 -","- C20 H40 N8 O20 P6 -","- C80 H160 N32 O80 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0347","0.0312","","","0.0778","0.0797","","","","","","1.049","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245023","7.528","0.002","8.333","0.002","9.306","0.003","107.37","0.03","105.74","0.02","102.95","0.02","505.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","1","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.103","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245024","14.254","0.002","14.405","0.002","11.118","0.002","90","","91.81","0.02","90","","2281.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C60 H96 N24 O36 P12 -","6","1.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.158","0.0844","","","0.2148","0.2437","","","","","","1.066","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245025","13.737","0.005","10.658","0.003","24.822","0.009","90","","97.5","0.03","90","","3603","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.8 N8 O18.4 P6 -","- C20 H36.734 N8 O18.367 P6 -","- C80 H146.936 N32 O73.468 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1042","0.0949","","","0.2841","0.2951","","","","","","1.067","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245026","13.706","0.005","10.656","0.004","24.802","0.007","90","","96.61","0.03","90","","3598","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.2 N8 O18.1 P6 -","- C20 H36.212 N8 O18.106 P6 -","- C80 H144.848 N32 O72.424 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1628","0.0802","","","0.2169","0.2674","","","","","","1.037","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245027","8.1325","0.0004","9.3708","0.0005","11.6459","0.0007","74.368","0.002","81.158","0.002","83.467","0.002","842.08","0.08","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Guan, Wenjing; Ying, Ke; Yuan, Chengcheng; Hang, Jinlin; Liu, Chengkou; Huang, Xiangxing; Fang, Zheng; Guo, Kai","Catalyst- and oxidant-free electrooxidative site-selective [3/4 + 2] annulation to fused polycyclic heteroaromatics","Green Chemistry","2022","24","13","5191","5196","10.1039/D2GC01248K","","","0.71073","MoKα","","0.0772","0.0529","","","0.1291","0.1481","","","","","","1.016","","","","has coordinates","276625","2022-07-06","08:12:57",""
"7245028","9.608","0.0002","9.608","0.0002","6.2085","0.0002","90","","90","","90","","573.13","0.03","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cd Ge2 O S6 Sr2 -","- Cd Ge2 O S6 Sr2 -","- Cd2 Ge4 O2 S12 Sr4 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0102","0.01","","","0.0231","0.0232","","","","","","0.877","","","","has coordinates","275736","2022-06-02","01:27:38",""
"7245029","9.4322","0.0006","9.4322","0.0006","6.1813","0.0005","90","","90","","90","","549.93","0.07","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ge2 O S6 Sr2 Zn -","- Ge2 O S6 Sr2 Zn -","- Ge4 O2 S12 Sr4 Zn2 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0132","0.0128","","","0.0285","0.0286","","","","","","0.862","","","","has coordinates","275736","2022-06-02","01:27:39",""
"7245030","16.8282","0.0006","10.4619","0.0004","9.5748","0.0004","90","","100.788","0.004","90","","1655.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Chowdhury, Srayoshi Roy; Haldar, Debasish","A γ-turn mimetic for selective sensing of Cu(ii) and a combinatorial multiple logic gate","CrystEngComm","2022","","","","","10.1039/D2CE00462C","","","0.71073","MoKα","","0.0528","0.0443","","","0.1071","0.1128","","","","","","1.096","","","","has coordinates","275842","2022-06-06","22:39:02",""
"7245031","8.8287","0.0002","9.7039","0.0003","16.4007","0.0004","90","","93.677","0.003","90","","1402.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Br2 N2 O2 -","- C28 H48 Br2 N2 O2 -","- C56 H96 Br4 N4 O4 -","2","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.0443","0.0305","","","0.0615","0.0676","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245032","8.8271","0.0011","13.4405","0.0014","18.04","0.002","90","","90","","90","","2140.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C80 H104 Br8 N16 O8 -","4","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","1.54178","CuKα","","0.1382","0.1041","","","0.2452","0.2709","","","","","","1.015","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245033","10.9774","0.0002","9.2537","0.0001","20.6183","0.0003","90","","99.24","0.001","90","","2067.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br2 N4 O -","- C20 H24 Br2 N4 O -","- C80 H96 Br8 N16 O4 -","4","1","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.042","0.0293","","","0.0629","0.0679","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245034","9.7854","0.0006","11.703","0.0007","13.8373","0.0009","67.015","0.003","89.202","0.003","85.046","0.003","1453.03","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C72 H72 O8 -","2","1","","Qin, Hongmei; Xie, Qimei; He, Long","Diastereoselective synthesis of chroman bearing spirobenzofuranone scaffolds via oxa-Michael/1,6-conjugated addition of para-quinone methides with benzofuranone-type olefins","RSC Advances","2022","12","26","16684","16687","10.1039/D2RA03031D","","","0.71073","MoKα","","0.0616","0.0443","","","0.1324","0.1451","","","","","","1.07","","","","has coordinates","275850","2022-06-07","01:21:02",""
"7245035","30.947","0.002","30.947","0.002","6.2208","0.0007","90","","90","","120","","5159.6","0.7","90","","90","","","","","","","","","3","P 64","P 64","172","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","2","","Ota, Koichiro; Watanabe, Taiki; Igarashi, Shuntaro; Okazaki, Shinnosuke; Kamaike, Kazuo; Miyaoka, Hiroaki","Total syntheses of ent-hypocoprin A and ent-hypocoprin B","RSC Advances","2022","12","26","16576","16580","10.1039/D2RA02891C","","x-ray","0.71073","MoKα","K-L~3~","0.109","0.1075","","","0.2873","0.2889","","","","","","1.063","","","","has coordinates","275851","2022-06-07","01:21:32",""
"7245036","10.6128","0.0003","9.0112","0.0003","22.7652","0.0007","90","","95.487","0.003","90","","2167.15","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Wang, Xiaohong; You, Fengzhi; Xiong, Baojian; Chen, Lei; Zhang, Xuemei; Lian, Zhong","Metal- and base-free tandem sulfonylation/cyclization of 1,5-dienes with aryldiazonium salts via the insertion of sulfur dioxide","RSC Advances","2022","12","26","16745","16750","10.1039/D2RA03034A","","x-ray","0.71073","MoKα","","0.0766","0.0488","","","0.1115","0.1277","","","","","","1.036","","","","has coordinates","275852","2022-06-07","01:21:57",""
"7245037","11.3529","0.0009","13.0942","0.0011","13.9528","0.0012","63.486","0.005","77.327","0.006","78.923","0.006","1800.2","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H38 O4 -","- C47 H38 O4 -","- C94 H76 O8 -","2","1","","Lin, Yang; Yu, Ao; Wang, Jinjing; Kong, Derui; Liu, Hongtao; Li, Jianwei; Jia, Chunman","A curcumin-based AIEE-active fluorescent probe for Cu2+ detection in aqueous solution","RSC Advances","2022","12","26","16772","16778","10.1039/D2RA02595G","","","1.54178","CuKα","","0.0876","0.077","","","0.2143","0.2316","","","","","","1.094","","","","has coordinates","275853","2022-06-07","01:22:19",""
"7245038","5.88","0.02","7.98","0.02","10.6","0.02","109.01","0.12","98.48","0.12","93.59","0.21","462","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenoxazine","","- C12 H10 N O -","- C12 H10 N O -","- C24 H20 N2 O2 -","2","1","","Kaltenegger, Martin; Hofer, Sebastian; Resel, Roland; Werzer, Oliver; Riegler, Hans; Simbrunner, Josef; Winkler, Christian; Geerts, Yves; Liu, Jie","Engineering of a kinetically driven phase of phenoxazine by surface crystallisation","CrystEngComm","2022","","","","","10.1039/D2CE00479H","","","1.4","synchrotron_radiation","","","","","","","","","","","","","","","","","has coordinates","275885","2022-06-07","22:36:38",""
"7245039","12.9072","0.0007","6.2378","0.0003","19.2643","0.001","90","","98.396","0.002","90","","1534.39","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Hg2 O8 -","- C16 H10 Hg2 O8 -","- C64 H40 Hg8 O32 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE00347C","","","0.71073","MoKα","","0.0197","0.0181","","","0.0395","0.0401","","","","","","1.146","","","","has coordinates","275886","2022-06-07","22:37:42",""
"7245040","8.8968","0.0003","16.8278","0.0007","15.914","0.0007","90","","96.543","0.002","90","","2367.02","0.16","298","2","297.65","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Ni O4 P2 S4 -","- C54 H44 Ni O4 P2 S4 -","- C108 H88 Ni2 O8 P4 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0497","0.0378","","","0.0869","0.0934","","","","","","1.046","","","","has coordinates","275945","2022-06-09","22:37:37",""
"7245041","8.8748","0.0003","16.807","0.0005","15.6789","0.0005","90","","96.144","0.001","90","","2325.21","0.13","120","2","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pt S4 -","- C54 H44 O4 P2 Pt S4 -","- C108 H88 O8 P4 Pt2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0394","0.0261","","","0.0435","0.0466","","","","","","1.037","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245042","8.887","0.004","16.831","0.007","15.724","0.009","90","","96.01","0.02","90","","2339","2","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pd S4 -","- C54 H44 O4 P2 Pd S4 -","- C108 H88 O8 P4 Pd2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0409","0.03","","","0.0609","0.0694","","","","","","1.114","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245043","8.7497","0.0005","10.1139","0.0006","16.8551","0.001","81.465","0.002","75.796","0.002","81.299","0.002","1419.65","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","1","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0276","","","0.0638","0.0675","","","","","","1.056","","","","has coordinates,has disorder","275945","2022-06-09","22:37:38",""
"7245044","11.0025","0.0009","13.2382","0.0011","18.4636","0.0015","69.239","0.003","77.795","0.003","73.53","0.003","2393","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 Ni O4 S4 -","- C52 H40 As2 Ni O4 S4 -","- C104 H80 As4 Ni2 O8 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0349","0.0261","","","0.0673","0.0712","","","","","","1.028","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245045","11.3511","0.0007","14.5086","0.001","7.8221","0.0004","90","","90","","90","","1288.21","0.14","120","2","120.01","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0332","0.0263","","","0.0544","0.06","","","","","","1.112","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245046","10.939","0.003","13.206","0.003","18.371","0.005","110.997","0.01","89.98","0.011","106.566","0.01","2359.4","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 O4 Pt S4 -","- C52 H40 As2 O4 Pt S4 -","- C104 H80 As4 O8 Pt2 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0158","0.0137","","","0.0399","0.0409","","","","","","0.921","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245047","10.4267","0.0005","52.731","0.002","13.8477","0.0006","90","","100.58","0.002","90","","7484.2","0.6","120","2","119.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H46 As2 Ni O5 S4 -","- C55 H46 As2 Ni O5 S4 -","- C330 H276 As12 Ni6 O30 S24 -","6","3","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0305","","","0.0688","0.0694","","","","","","1.076","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245048","7.597","0.006","8.988","0.007","9.242","0.008","88.53","0.03","68.29","0.03","65.01","0.02","525","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C5H6NSbCl4","","","- C5 H6 Cl4 N Sb -","- C5 H6 Cl4 N Sb -","- C10 H12 Cl8 N2 Sb2 -","2","1","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.1298","0.0724","","","0.169","0.1871","","","","","","1.062","","","","has coordinates","275952","2022-06-10","00:53:32",""
"7245049","12.62","0.005","13.647","0.008","8.046","0.003","90","","95.692","0.016","90","","1378.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C5H6NSbI4","","","- C5 H6 I4 N Sb -","- C5 H6 I4 N Sb -","- C20 H24 I16 N4 Sb4 -","4","0.5","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0511","0.0467","","","0.1153","0.1169","","","","","","1.249","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245050","9.4289","0.0011","20.043","0.002","7.5474","0.0006","90","","94.723","0.004","90","","1421.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(C5H5NBr)SbI4","","","- C10 H10 Br2 I8 N2 Sb2 -","- C10 H10 Br2 I8 N2 Sb2 -","- C20 H20 Br4 I16 N4 Sb4 -","2","0.5","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0295","0.0253","","","0.0485","0.0494","","","","","","1.26","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245051","9.3888","0.0009","19.8733","0.0019","7.5373","0.0004","90","","95.342","0.004","90","","1400.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl2 I8 N2 Sb2 -","- C10 H10 Cl2 I8 N2 Sb2 -","- C20 H20 Cl4 I16 N4 Sb4 -","2","0.5","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0207","0.02","","","0.043","0.0432","","","","","","1.334","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245052","8.6287","0.001","12.1886","0.0016","14.999","0.0019","105.774","0.005","92.163","0.005","94.537","0.005","1510.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","C5H5NBrSbCl4","","","- C15 H15 Br3 Cl9 N3 Sb2 -","- C15 H15 Br3 Cl9 N3 Sb2 -","- C30 H30 Br6 Cl18 N6 Sb4 -","2","1","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0269","0.024","","","0.0565","0.0575","","","","","","1.071","","","","has coordinates,has disorder","275952","2022-06-10","00:53:33",""
"7245053","8.5816","0.0007","12.1045","0.0007","14.9113","0.0012","105.975","0.003","91.902","0.003","95.118","0.003","1480.47","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C5H5NSbCl6","","","- C15 H15 Cl12 N3 Sb2 -","- C15 H15 Cl12 N3 Sb2 -","- C30 H30 Cl24 N6 Sb4 -","2","1","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.035","0.0266","","","0.0576","0.0604","","","","","","1.031","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245054","7.4582","0.0005","27.95","0.003","11.8379","0.0015","90","","93.543","0.004","90","","2463","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Br4 Cl N Sb -","- C5 H5 Br4 Cl N Sb -","- C40 H40 Br32 Cl8 N8 Sb8 -","8","2","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0286","0.0248","","","0.0536","0.0547","","","","","","1.098","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245055","7.592","0.002","8.6466","0.0018","8.775","0.002","84.957","0.007","89.797","0.009","84.688","0.009","571.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C5H6NSbBr4","","","- C5 H6 Br4 N Sb -","- C5 H6 Br4 N Sb -","- C10 H12 Br8 N2 Sb2 -","2","1","","Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris","Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01996E","","","0.71073","MoKα","","0.0395","0.0287","","","0.0595","0.0626","","","","","","1.054","","","","has coordinates","275952","2022-06-10","00:53:33",""
"7245056","5.3315","0.0006","7.7796","0.0008","12.4238","0.0014","72.694","0.006","78.711","0.005","89.961","0.005","481.54","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cp2","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Yang, Zihui; Zhou, Haoyi; Wang, Lin; Zhang, Jingxuan; Xie, Hongqi; Liu, Yisong; Zeng, Jianguo; Cheng, Pi","Visible-light-promoted and chlorophyll-catalyzed aerobic desulfurization of thioamides to amides","RSC Advances","2022","12","27","17190","17193","10.1039/D2RA01930B","","","1.54178","CuKα","","0.1245","0.1139","","","0.37","0.395","","","","","","1.833","","","","has coordinates,has disorder","275953","2022-06-10","01:18:46",""
"7245057","13.6684","0.0008","9.1256","0.0004","14.0839","0.0008","90","","111.168","0.007","90","","1638.18","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl2 N2 O2 S -","- C16 H12 Cl2 N2 O2 S -","- C64 H48 Cl8 N8 O8 S4 -","4","1","","Khalid, Aqsa; Arshad, Nasima; Channar, Pervaiz Ali; Saeed, Aamer; Mir, Muhammad Ismail; Abbas, Qamar; Ejaz, Syeda Abida; Hökelek, Tuncer; Saeed, Amna; Tehzeeb, Arfa","Structure and surface analyses of a newly synthesized acyl thiourea derivative along with its in silico and in vitro investigations for RNR, DNA binding, urease inhibition and radical scavenging activities","RSC Advances","2022","12","27","17194","17207","10.1039/D2RA03160D","","x-ray","1.54184","CuKα","","0.0478","0.0427","","","0.1159","0.1215","","","","","","1.059","","","","has coordinates","275967","2022-06-11","01:05:28",""
"7245058","13.3653","0.0002","14.7692","0.0002","20.6731","0.0003","90","","90","","90","","4080.76","0.1","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cd2 N6 O10 -","- C34 H32 Cd2 N6 O10 -","- C136 H128 Cd8 N24 O40 -","4","1","","Das, Aniruddha; Ghosh, Subhrajyoti; Bourda, Laurens; SK, Mostakim; Banerjee, Kaustuv; Van Hecke, Kristof; Biswas, Shyam","A Cd(ii)-organic framework as a highly sensitive and rapid fluorometric sensor for ascorbic acid in aqueous medium","CrystEngComm","2022","","","","","10.1039/D2CE00654E","","x-ray","0.71073","MoKα","","0.041","0.0342","","","0.0816","0.0852","","","","","","1.041","","","","has coordinates","276006","2022-06-13","22:35:04",""
"7245059","25.0011","0.0007","15.7369","0.0005","8.9768","0.0003","90","","93.853","0.001","90","","3523.85","0.19","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H8.5 Fe N11.5 -","- C13 H8.5 Fe N11.5 -","- C104 H68 Fe8 N92 -","8","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0882","0.0529","","","0.1475","0.1517","","","","","","1.011","","","","has coordinates,has disorder","276007","2022-06-13","22:36:08",""
"7245060","9.0881","0.0002","8.2891","0.0002","13.1987","0.0003","90","","103.114","0.001","90","","968.36","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N10 Ni -","- C20 H16 N10 Ni -","- C40 H32 N20 Ni2 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0553","0.0342","","","0.0763","0.0898","","","","","","1.018","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245061","9.1691","0.0004","8.2275","0.0004","13.2721","0.0006","90","","102.521","0.002","90","","977.42","0.08","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Fe N10 -","- C20 H16 Fe N10 -","- C40 H32 Fe2 N20 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.074","0.0398","","","0.0785","0.1052","","","","","","0.998","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245062","7.5557","0.0006","11.9271","0.001","14.1205","0.0011","80.696","0.003","83.397","0.003","72.522","0.003","1194.8","0.17","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cu N8 O2.5 -","- C27 H17 Cu N8 O2.5 -","- C54 H34 Cu2 N16 O5 -","2","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0736","0.0535","","","0.1091","0.1172","","","","","","1.097","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245063","12.2316","0.0006","13.1085","0.0007","18.7874","0.001","96.162","0.002","103.516","0.002","99.484","0.002","2855.3","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Cu N10 -","- C20 H16 Cu N10 -","- C120 H96 Cu6 N60 -","6","3","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0999","0.0541","","","0.1258","0.1842","","","","","","0.993","","","","has coordinates","276007","2022-06-13","22:36:09",""
"7245064","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxy-3-(4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)- 4H-chromen-4-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","276008","2022-06-13","22:37:10",""
"7245065","17.9139","0.0002","14.6001","0.0004","6.6911","0.0007","90","","90","","90","","1750.02","0.19","210","2","210","","","","","","","","","3","P n a 21","P 2c -2n","33","","3-(3-allyl-4-methoxyphenyl)-7-(methoxymethoxy)-4H-chromen-4-one","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0584","0.0427","","","0.1062","0.1137","","","","","","1.039","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245066","8.0184","0.0016","8.4831","0.0017","11.867","0.002","104.02","0.03","94.03","0.03","101.24","0.03","762.3","0.3","210","2","210","","","","","","","","","3","P -1","-P 1","2","","3-(3-allyl-4-methoxyphenyl)-7-hydroxy-4H-chromen-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C38 H32 O8 -","2","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1322","0.1422","","","","","","1.082","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245067","8.7506","0.0008","6.4046","0.0006","14.903","0.0014","90","","101.334","0.008","90","","818.94","0.13","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H16 B F2 N O -","- C19 H16 B F2 N O -","- C38 H32 B2 F4 N2 O2 -","2","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.1063","0.0508","","","0.1039","0.1235","","","","","","0.957","","","","has coordinates","276014","2022-06-14","00:52:39",""
"7245068","9.7997","0.0005","16.3983","0.0008","22.936","0.0011","90","","90","","90","","3685.8","0.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 B F2 N O -","- C23 H18 B F2 N O -","- C184 H144 B8 F16 N8 O8 -","8","2","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.0945","0.0591","","","0.1493","0.1696","","","","","","1.049","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245069","6.1678","0.0014","8.1722","0.0013","31.57","0.005","90","","90","","90","","1591.3","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 B F2 N O -","- C19 H16 B F2 N O -","- C76 H64 B4 F8 N4 O4 -","4","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.2598","0.1104","","","0.1265","0.1626","","","","","","1.004","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245070","10.373","0.0004","13.9191","0.0004","11.5437","0.0004","90","","108.664","0.004","90","","1579.06","0.1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 B2 F4 N2 O2 -","- C38 H32 B2 F4 N2 O2 -","- C76 H64 B4 F8 N4 O4 -","2","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.0827","0.0472","","","0.0964","0.1091","","","","","","0.981","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245071","12.1477","0.0018","7.4576","0.0008","13.8322","0.0019","90","","114.653","0.018","90","","1138.9","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 N6 O10 -","- C22 H18 N6 O10 -","- C44 H36 N12 O20 -","2","0.5","","Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu","Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies","RSC Advances","2022","12","27","17466","17480","10.1039/D2RA02450K","","","0.71073","MoKα","","0.0753","0.0537","","","0.16","0.1805","","","","","","1.0715","","","","has coordinates","276015","2022-06-14","01:17:24",""
"7245072","7.421","0.003","9.209","0.004","9.781","0.004","84.786","0.006","68.478","0.006","73.697","0.005","596.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","1","0.5","","Zhou, Ling-Peng; Yan, Jing-Wen; Wang, Jun; Chi, Xiang; Afzal, Mohd; Alarifi, Abdullah; Srivatava, Devyani; Kumar, Abhinav","Efficient photodegradation of dyes by a new 3D Cd(ii) MOF with a rare fsh topology","CrystEngComm","2022","","","","","10.1039/D2CE00590E","","","0.71073","MoKα","","0.0695","0.0603","","","0.1697","0.1747","","","","","","1.127","","","","has coordinates","276030","2022-06-14","22:34:45",""
"7245073","48.277","0.009","48.277","0.009","13.116","0.003","90","","90","","120","","26474","9","296.15","","296.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29 H12 Co2 N O12 -","- C29 H12 Co2 N O12 -","- C522 H216 Co36 N18 O216 -","18","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.1143","0.0845","","","0.2387","0.2695","","","","","","1.038","","","","has coordinates,has disorder","276031","2022-06-14","22:35:26",""
"7245074","31.747","0.003","13.0267","0.0011","26.875","0.002","90","","113.67","0.001","90","","10179.4","1.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co7 N2 O34 -","- C58 H40 Co7 N2 O34 -","- C232 H160 Co28 N8 O136 -","4","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.0585","0.0476","","","0.1469","0.1558","","","","","","1.051","","","","has coordinates,has disorder","276031","2022-06-14","22:35:27",""
"7245075","5.15545","0.00011","11.604","0.0002","25.9405","0.0005","90","","90","","90","","1551.86","0.05","117.65","0.1","117.65","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl O5 -","- C20 H13 Cl O5 -","- C80 H52 Cl4 O20 -","4","1","","Xu, Leichuan; Ma, Haoyun; An, Xinkun; Li, Yihao; Zhang, Qian; Liu, Xinlei; Wang, Mingan","Total synthesis, structure revision and cytotoxic activity of Sch 53825 and its derivatives","RSC Advances","2022","12","27","17629","17636","10.1039/D2RA02898K","","x-ray","1.54184","CuKα","","0.0386","0.0369","","","0.0942","0.0962","","","","","","1.03","","","","has coordinates","276035","2022-06-15","01:08:47",""
"7245076","18.347","0.004","16.232","0.003","7.4296","0.0014","90","","90","","90","","2212.6","0.8","220","","220","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H28 Cl N3 O -","- C25 H28 Cl N3 O -","- C100 H112 Cl4 N12 O4 -","4","1","","Ma, Ling; Chen, Xiaofei; Zhu, Siyu; Chen, Wei; Ma, Qin; Fan, Wenxi; Zhang, Jie; Guo, Liang","New β-carboline containing imidazolium derivatives as potential VEGFR2 inhibitors: synthesis, X-ray structure, anti-proliferative evaluations, and molecular modeling","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00065B","","","0.71073","MoKα","","0.0767","0.052","","","0.1241","0.1398","","","","","","1.013","","","","has coordinates","276062","2022-06-16","00:02:20",""
"7245077","8.7172","0.0017","13.818","0.003","14.386","0.003","81.029","0.002","73.073","0.002","89.881","0.002","1635.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl8 Cu4 N18 O3 -","- C51 H74 Cl8 Cu4 N18 O3 -","- C51 H74 Cl8 Cu4 N18 O3 -","1","0.5","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.029","0.0256","","","0.0669","0.069","","","","","","1.047","","","","has coordinates,has disorder","276066","2022-06-16","01:22:18",""
"7245078","11.817","0.004","21.125","0.007","14.003","0.005","90","","111.244","0.005","90","","3258.1","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Fe N11 S2 -","- C27 H37 Fe N11 S2 -","- C108 H148 Fe4 N44 S8 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0768","0.0448","","","0.1033","0.1171","","","","","","1.034","","","","has coordinates","276066","2022-06-16","01:22:19",""
"7245079","10.909","0.002","21.821","0.005","14.531","0.003","90","","98.616","0.003","90","","3420","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 N9 Ni O10 -","- C26 H42 Cl2 N9 Ni O10 -","- C104 H168 Cl8 N36 Ni4 O40 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0524","0.0449","","","0.1191","0.1261","","","","","","1.022","","","","has coordinates,has disorder","276066","2022-06-16","01:22:19",""
"7245080","10.9","0.003","21.782","0.005","14.48","0.003","90","","98.704","0.003","90","","3398.3","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Cl2 Co N9 O10 -","- C26 H43 Cl2 Co N9 O10 -","- C104 H172 Cl8 Co4 N36 O40 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0671","0.0495","","","0.128","0.1406","","","","","","1.042","","","","has coordinates,has disorder","276066","2022-06-16","01:22:19",""
"7245081","12.921","0.003","22.128","0.005","14.966","0.004","90","","113.873","0.007","90","","3912.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 N6 O6 -","- C44 H42 N6 O6 -","- C176 H168 N24 O24 -","4","1","","Sarkar, Rajib; Dam, Binoyargha; Kyndiah, Lenida; Sarkar, Fillip Kumar; Gajurel, Sushmita; Pal, Amarta Kumar","Graphite oxide catalyzed one-pot synthesis of highly functionalized spirodibenzo[1,4]diazepine derivatives in aqueous ethanol medium","Green Chemistry","2022","24","14","5579","5591","10.1039/D2GC00194B","","","0.71073","MoKα","","0.1501","0.0838","","","0.222","0.2658","","","","","","1.023","","","","has coordinates","277111","2022-08-06","11:49:23",""
"7245082","5.9198","0.0016","7.67","0.002","22.977","0.006","90","","96.417","0.006","90","","1036.7","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C48 H32 O4 S8 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0756","0.0705","","","0.1933","0.1985","","","","","","1.078","","","","has coordinates","276086","2022-06-17","22:38:20",""
"7245083","5.9049","0.0011","7.6579","0.0014","23.865","0.005","90","","95.872","0.003","90","","1073.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S3 -","- C12 H8 S3 -","- C48 H32 S12 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0367","0.0355","","","0.095","0.0961","","","","","","1.088","","","","has coordinates","276086","2022-06-17","22:38:21",""
"7245084","21.6778","0.0004","21.6778","0.0004","7.4426","0.0002","90","","90","","90","","3497.48","0.13","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Mn2 N16 P -","- C88 H52 Cl4 Mn2 N16 P -","- C176 H104 Cl8 Mn4 N32 P2 -","2","0.25","","Mine, Kosuke; Yamaguchi, Masayuki; Murakawa, Hiroshi; Hanasaki, Noriaki; Matsuda, Masaki","A large negative magnetoresistance effect in semiconducting crystals composed of an octahedrally ligated phthalocyanine complex with high-spin manganese(iii)","RSC Advances","2022","12","28","17944","17949","10.1039/D2RA00188H","","x-ray","0.71073","MoKα","","0.0715","0.042","","","0.1213","0.1402","","","","","","0.931","","","","has coordinates","276089","2022-06-18","01:09:26",""
"7245085","8.0016","0.0016","9.3863","0.0019","18.181","0.004","90","","97.48","0.03","90","","1353.9","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N2 O3 S -","- C12 H13 F N2 O3 S -","- C48 H52 F4 N8 O12 S4 -","4","1","","Guo, Haijin; Liu, Yunyun; Wen, Chengping; Wan, Jie-Ping","Electrochemical enaminone C–H thiolation/C–N amination cascade for thiazole synthesis and its diastereoselective dearomatization","Green Chemistry","2022","24","13","5058","5063","10.1039/D2GC01644C","","","0.71073","MoKα","","0.0491","0.0378","","","0.0961","0.107","","","","","","1.079","","","","has coordinates","276624","2022-07-06","08:12:51",""
"7245086","4.7948","0.0002","10.5652","0.0005","12.8318","0.0006","83.206","0.002","81.269","0.002","87.894","0.002","637.87","0.05","294","2","294","2","","","","","","","","5","P 1","P 1","1","bispentafluor amide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide'","","- C13 H F10 N O -","- C13 H F10 N O -","- C26 H2 F20 N2 O2 -","2","2","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1015","0.0511","","","0.1218","0.1418","","","","","","1.039","","","","has coordinates","276136","2022-06-21","22:32:59",""
"7245087","9.58","0.007","5.8","0.004","20.624","0.017","90","","91.13","0.03","90","","1145.7","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis-pentafluorbenzamide N-phenylbenzamide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide N-phenylbenzamide'","","- C26 H12 F10 N2 O2 -","- C26 H12 F10 N2 O2 -","- C52 H24 F20 N4 O4 -","2","1","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1262","0.1047","","","0.223","0.2359","","","","","","1.033","","","","has coordinates","276136","2022-06-21","22:33:00",""
"7245088","14.5746","0.0002","11.1621","0.0002","22.8957","0.0003","90","","105.211","0.001","90","","3594.25","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C130 H118 N40 O30 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0762","0.0687","","","0.19","0.1969","","","","","","1.125","","","","has coordinates,has disorder","276137","2022-06-21","22:34:25",""
"7245089","7.4123","0.0006","16.1476","0.0012","14.1477","0.0011","90","","103.092","0.008","90","","1649.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N4 S Zn -","- C15 H12 Cl2 N4 S Zn -","- C60 H48 Cl8 N16 S4 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","0.71073","MoKα","","0.0737","0.05","","","0.1189","0.1356","","","","","","1.039","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245090","14.4107","0.0003","18.5113","0.0003","14.5162","0.0003","90","","115.481","0.003","90","","3495.68","0.15","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 O S Zn -","- C16 H14 Cl2 N4 O S Zn -","- C128 H112 Cl16 N32 O8 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0444","0.041","","","0.1151","0.1223","","","","","","0.823","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245091","14.3265","0.0008","18.2579","0.0006","14.613","0.0008","90","","117.022","0.007","90","","3405.1","0.4","109","2","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 S Zn -","- C16 H14 Cl2 N4 S Zn -","- C128 H112 Cl16 N32 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0531","0.0465","","","0.1295","0.1338","","","","","","1.025","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245092","14.4925","0.0007","11.9187","0.0004","22.3187","0.001","90","","106.83","0.005","90","","3690","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N10 O10 S2 Zn -","- C33 H29 N10 O10 S2 Zn -","- C132 H116 N40 O40 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0785","0.0666","","","0.1773","0.1872","","","","","","1.075","","","","has coordinates,has disorder","276137","2022-06-21","22:34:26",""
"7245093","10.9908","0.0005","12.5765","0.0005","14.2015","0.0006","108.799","0.004","94.313","0.003","115.023","0.004","1631.88","0.15","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N10 O7 S2 Zn -","- C30 H24 N10 O7 S2 Zn -","- C60 H48 N20 O14 S4 Zn2 -","2","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54179","CuKα","","0.0585","0.0548","","","0.154","0.1585","","","","","","1.095","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245094","13.9085","0.0003","11.5933","0.0006","32.6997","0.0009","90","","93.957","0.002","90","","5260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","x-ray","0.71073","MoKα","","0.0649","0.0451","","","0.1003","0.1094","","","","","","1.028","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245095","13.8555","0.0003","11.553","0.0003","32.4314","0.0008","90","","93.67","0.001","90","","5180.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","","0.71073","MoKα","","0.0681","0.0457","","","0.0929","0.1035","","","","","","1.042","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245096","12.911","0.0007","14.3489","0.0008","19.9832","0.0011","90","","90","","90","","3702.1","0.4","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.049","0.0343","","","0.074","0.0795","","","","","","1.113","","","","has coordinates","276203","2022-06-23","22:40:19",""
"7245097","9.7863","0.0007","10.7597","0.0008","11.0969","0.0008","70.945","0.003","79.753","0.003","72.218","0.003","1047.71","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","1","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0416","0.0304","","","0.0714","0.075","","","","","","1.102","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245098","12.7246","0.0007","14.1746","0.0007","19.8726","0.0011","90","","90","","90","","3584.3","0.3","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0235","0.0192","","","0.04","0.0415","","","","","","1.039","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245099","49.9843","0.0013","28.7291","0.0006","26.9217","0.0008","90","","96.118","0.002","90","","38439.5","1.7","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hexakis(4-carboxyphenyl)triquinoxalinehexadehydro[12]annulene N,N-dimethylacetamide methyl benzoate solvate","","- C212 H145 N13 O41 -","- C160 H88 N12 O29 -","- C1280 H704 N96 O232 -","8","1","","Kobayashi, Mayu; Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quinoxaline-annelated hexadehydro[12]annulene: Use of a new building block to construct a hydrogen-bonded hexagonal molecular network","CrystEngComm","2022","","","","","10.1039/D2CE00676F","","","1.54187","CuKα","","0.1733","0.0857","","","0.2335","0.2855","","","","","","0.987","","","","has coordinates","276204","2022-06-23","22:41:00",""
"7245100","14.8757","0.0002","9.5734","0.0001","18.7224","0.0002","90","","101.68","0.001","90","","2611.07","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N12 O7 -","- C22 H30 N12 O7 -","- C88 H120 N48 O28 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0435","0.0395","","","0.1039","0.1081","","","","","","1.065","","","","has coordinates","276297","2022-06-27","22:32:25",""
"7245101","10.6489","0.0003","12.0796","0.0003","21.1891","0.0005","95.54","0.002","98.304","0.002","115.065","0.003","2404.96","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 N24 O17 -","- C33 H58 N24 O17 -","- C66 H116 N48 O34 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0624","0.0539","","","0.1274","0.1341","","","","","","1.038","","","","has coordinates","276297","2022-06-27","22:32:25",""
"7245102","16.2368","0.0006","21.9026","0.0009","14.2576","0.0006","90","","90.123","0.004","90","","5070.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N4 O21 Zn2 -","- C52 H38 N4 O21 Zn2 -","- C208 H152 N16 O84 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54184","CuKα","","0.1231","0.0575","","","0.1218","0.1604","","","","","","0.997","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245103","8.1811","0.0003","14.8958","0.0008","15.0957","0.0008","117.148","0.005","99.183","0.004","90.486","0.004","1609.04","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O10 Zn2 -","- C36 H26 N6 O10 Zn2 -","- C72 H52 N12 O20 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0449","0.0355","","","0.0884","0.0954","","","","","","1.034","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245104","11.222","0.0006","24.6834","0.0015","13.1944","0.0009","90","","108.141","0.007","90","","3473.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O10 Zn2 -","- C36 H24 N4 O10 Zn2 -","- C144 H96 N16 O40 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.1598","0.0762","","","0.1755","0.2238","","","","","","1.005","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245105","13.982","0.0008","8.5001","0.0005","20.1799","0.0018","90","","92.702","0.007","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O9 Zn2 -","- C26 H16 N2 O9 Zn2 -","- C104 H64 N8 O36 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0781","0.0546","","","0.1272","0.1432","","","","","","1.064","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245106","10.8238","0.0007","12.9013","0.0007","13.2592","0.0007","63.377","0.005","85.794","0.005","78.292","0.005","1620.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N4 O9 Zn2 -","- C36 H22 N4 O9 Zn2 -","- C72 H44 N8 O18 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0629","0.045","","","0.1087","0.1215","","","","","","1.022","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245107","5.9031","0.0014","14.188","0.004","20.665","0.005","70.166","0.01","89.202","0.01","83.142","0.011","1615.8","0.7","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bosentan / succinic acid Cocrystal","","- C31 H35 N5 O10 S -","- C31 H35 N5 O10 S -","- C62 H70 N10 O20 S2 -","2","1","","Barbas, Rafael; Portell, Anna; Hunter, Christopher A.; Prohens, Rafel; Frontera, Antonio","Combined computational/experimental investigation of new cocrystals of the drug bosentan","CrystEngComm","2022","","","","","10.1039/D2CE00581F","","","0.71073","MoKα","","0.1388","0.0712","","","0.1516","0.1829","","","","","","1.015","","","","has coordinates,has disorder","276411","2022-06-29","22:38:32",""
"7245108","18.5633","0.0003","9.31515","0.00017","21.2695","0.0004","90","","90","","90","","3677.92","0.11","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H32 I K N8 O14 -","- C28 H32 I K N8 O14 -","- C112 H128 I4 K4 N32 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0641","0.0506","","","0.1378","0.1468","","","","","","1.095","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245109","17.6971","0.0003","18.6927","0.0003","20.9582","0.0004","90","","90","","90","","6933.1","0.2","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 I N7 Na O14 -","- C26 H29 I N7 Na O14 -","- C208 H232 I8 N56 Na8 O112 -","8","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0844","0.0638","","","0.1324","0.1443","","","","","","1.039","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245110","10.6237","0.0003","11.2609","0.0004","15.1068","0.0005","88.389","0.006","82.391","0.006","74.364","0.005","1725","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 I N7 O14 Rb -","- C26 H29 I N7 O14 Rb -","- C52 H58 I2 N14 O28 Rb2 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0708","0.0573","","","0.117","0.1217","","","","","","1.077","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245111","7.5672","0.0003","22.2189","0.0008","15.2555","0.0006","90","","90","","90","","2564.98","0.17","99","","99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 N5 O14 -","- C22 H23 N5 O14 -","- C88 H92 N20 O56 -","4","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0856","0.054","","","0.1251","0.1395","","","","","","1.079","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245112","9.1532","","17.8073","","16.9471","","90","","105.2","","90","","2665.64","","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cs I N4 O14 -","- C20 H20 Cs I N4 O14 -","- C80 H80 Cs4 I4 N16 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0688","0.0561","","","0.1459","0.1591","","","","","","0.929","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245113","16.8353","0.0004","8.4802","0.0002","23.129","0.0006","90","","110.799","0.008","90","","3086.9","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H84 N12 O19 -","- C60 H84 N12 O19 -","- C120 H168 N24 O38 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0978","0.0707","","","0.2034","0.2282","","","","","","1.059","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245114","11.1964","0.0002","16.847","0.0004","19.1707","0.0004","90","","90","","90","","3616.09","0.13","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H46 K N4 O24 S3 -","- C20 H20 K N4 O24 S3 -","- C80 H80 K4 N16 O96 S12 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0871","0.0722","","","0.2073","0.2239","","","","","","1.048","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245115","34.7439","0.0009","8.1437","0.0002","23.0281","0.0006","90","","90","","90","","6515.7","0.3","296","","296","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H88 N8 Na Ne0.5 O46 S6 -","- C80 H80 N16 Na O92 S12 -","- C160 H160 N32 Na2 O184 S24 -","2","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.1296","0.0861","","","0.2255","0.2615","","","","","","1.047","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245116","12.892","0.017","9.895","0.013","17.43","0.02","90","0.04","105.86","0.03","90","0.04","2139","5","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0863","0.0429","","","0.1119","0.1393","","","","","","1","","","","has coordinates","276413","2022-06-29","22:42:31",""
"7245117","12.3785","0.0014","9.4933","0.001","16.918","0.002","90","","106.036","0.003","90","","1910.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0507","0.0343","","","0.0914","0.108","","","","","","1.022","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245118","12.3916","0.0009","9.4953","0.0007","16.9063","0.0012","90","","106.072","0.002","90","","1911.5","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0451","0.0329","","","0.0868","0.1017","","","","","","1.063","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245119","13.097","0.002","9.6809","0.0015","16.8","0.003","90","","107.535","0.005","90","","2031.1","0.6","297","2","297","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0745","0.039","","","0.0817","0.0959","","","","","","1.015","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245120","12.5432","0.0015","9.5412","0.0011","16.985","0.002","90","","106.366","0.004","90","","1950.4","0.4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0924","0.0451","","","0.1201","0.1538","","","","","","1.049","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245121","13.0123","0.0013","9.6529","0.0009","16.7087","0.0018","90","","107.453","0.003","90","","2002.1","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.088","0.0496","","","0.1059","0.1224","","","","","","1.005","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245122","8.7825","0.0004","16.4044","0.0007","11.3954","0.0004","90","","96.42","0.004","90","","1631.46","0.12","101","1","101","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-[1,2,4]triazolo[3,4-a]phthalazine","","- C9 H5 Cl N4 -","- C9 H5 Cl N4 -","- C72 H40 Cl8 N32 -","8","2","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.0585","0.0488","","","0.1285","0.1411","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:11",""
"7245123","8.8082","0.0001","7.3685","0.0001","14.2931","0.0002","90","","90.213","0.002","90","","927.66","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine","","- C10 H7 Cl N4 -","- C10 H7 Cl N4 -","- C40 H28 Cl4 N16 -","4","1","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.03","0.0267","","","0.0662","0.0689","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:12",""
"7245124","9.3237","0.0019","12.028","0.002","7.281","0.0015","90","","98.28","0.03","90","","808","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Co N12 O10 -","- C6 H14 Co N12 O10 -","- C12 H28 Co2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245125","6.279","0.0006","6.6441","0.0007","17.6502","0.0015","90","","93.914","0.002","90","","734.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N5 O3 -","- C3 H9 N5 O3 -","- C12 H36 N20 O12 -","4","1","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.1136","0.0717","","","0.2029","0.2372","","","","","","1.054","","","","has coordinates,has disorder","276415","2022-06-29","22:44:03",""
"7245126","9.256","0.0008","12.1628","0.0011","7.5984","0.0007","90","","99.304","0.002","90","","844.17","0.13","","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cd N12 O10 -","- C6 H14 Cd N12 O10 -","- C12 H28 Cd2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.0639","0.055","","","0.1453","0.1511","","","","","","1.0661","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245127","6.1119","0.0017","12.856","0.003","13.503","0.002","74.018","0.01","83.479","0.015","76.619","0.015","990.9","0.4","296","2","296","2","","","","","","","NIL","5","P -1","-P 1","2","","5-(4-chlorophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Cl N3 O3 -","- C21 H22 Cl N3 O3 -","- C42 H44 Cl2 N6 O6 -","2","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.1141","0.0636","","","0.1659","0.2058","","","","","","1.083","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245128","12.5837","0.0013","13.0752","0.0017","13.0356","0.0016","90","","110.844","0.005","90","","2004.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dimethoxy-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0742","0.0429","","","0.0985","0.116","","","","","","1.029","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245129","12.2403","0.0006","13.3075","0.0007","12.8408","0.0007","90","","109.168","0.002","90","","1975.65","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-chlorophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Cl N3 O3 -","- C21 H22 Cl N3 O3 -","- C84 H88 Cl4 N12 O12 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0606","0.0409","","","0.0965","0.1089","","","","","","1.015","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245130","11.3367","0.0006","13.5799","0.0007","13.0546","0.0006","90","","108.872","0.002","90","","1901.73","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dimethoxy-8,8-dimethyl-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0545","0.0389","","","0.1058","0.1134","","","","","","1.556","","","","has coordinates","276424","2022-06-30","01:22:13",""
"7245131","13.9994","0.0002","15.2612","0.0003","17.7824","0.0003","89.9738","0.0015","86.8717","0.0014","89.3377","0.0013","3793.25","0.11","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ce5 N4 O34 -","- C72 H60 Ce5 N4 O34 -","- C144 H120 Ce10 N8 O68 -","2","1","","Wasson, Megan C.; Xie, Haomiao; Wang, Xingjie; Duncan, Joshua S.; Farha, Omar K.","Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00650B","","x-ray","1.54184","CuKα","","0.1231","0.1205","","","0.3275","0.3285","","","","","","1.128","","","","has coordinates","276456","2022-06-30","22:35:24",""
"7245132","9.6556","0.0006","9.6556","0.0006","18.7426","0.0009","90","","90","","120","","1513.28","0.15","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C H7 N10 Na2 O2.5 -","- C H7 N10 Na2 O2.5 -","- C6 H42 N60 Na12 O15 -","6","1","","Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming","[Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains","CrystEngComm","2022","","","","","10.1039/D2CE00713D","","","0.71073","MoKα","","0.0587","0.0551","","","0.1412","0.1444","","","","","","1.046","","","","has coordinates","276457","2022-06-30","22:35:48",""
"7245133","8.3288","0.0003","8.9675","0.0003","17.7852","0.0007","90","","90","","90","","1328.35","0.08","249.99","0.13","249.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","1","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0229","0.0204","","","0.0432","0.0443","","","","","","1.043","","","","has coordinates","276458","2022-06-30","22:36:10",""
"7245134","8.286","0.0003","9.0586","0.0004","18.0168","0.0007","90","","90","","90","","1352.33","0.09","293","2","293","2","","","","","","","","6","B m m b","-B 2b 2","63","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","0.25","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0298","0.0263","","","0.0678","0.0712","","","","","","1.106","","","","has coordinates,has disorder","276458","2022-06-30","22:36:11",""
"7245135","8.356","0.003","11.05","0.005","13.47","0.005","85.039","0.015","72.36","0.02","86.48","0.03","1180","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Co2 O9 -","- C23 H16 Co2 O9 -","- C46 H32 Co4 O18 -","2","1","","Abodo Onambele, Liliane; Hoffmann, Natalie; Kater, Lisa; Hemmersbach, Lars; Neudörfl, Jörg-Martin; Sitnikov, Nikolay; Kater, Benjamin; Frias, Corazon; Schmalz, Hans Günther; Prokop, Aram","An organometallic analogue of combretastatin A-4 and its apoptosis-inducing effects on lymphoma, leukemia and other tumor cells in vitro","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00144F","","","0.71073","MoKα","","0.0932","0.0416","","","0.0777","0.0894","","","","","","0.861","","","","has coordinates","276462","2022-06-30","23:52:42",""
"7245136","15.627","0.003","21.005","0.008","21.972","0.006","90","","78.05","0.03","90","","7056","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PTP-dq-PF6","","- C72 H48 Cl3 F18 N18 P3 -","- C72 H48 Cl3 F18 N18 P3 -","- C288 H192 Cl12 F72 N72 P12 -","4","1","","Rao, Cai-Hui; Ma, Shuai; Cui, Jing-Wang; Jia, Meng-Ze; Yao, Xin-Rong; Zhang, Jie","A bifunctional small molecular photocatalyst with a redox center and a Lewis acid site for one-pot tandem oxidation–acetalization","Green Chemistry","2022","24","15","5862","5868","10.1039/D2GC01321E","","","0.71073","MoKα","","0.2578","0.0957","","","0.2467","0.3531","","","","","","1.017","","","","has coordinates","277112","2022-08-06","11:49:36",""
"7245137","11.9515","0.0004","14.8622","0.0005","13.3026","0.0005","90","","112.244","0.001","90","","2187.04","0.13","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile)","","- C29 H18 N2 O2 -","- C29 H18 N2 O2 -","- C116 H72 N8 O8 -","4","1","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0728","0.0477","","","0.1154","0.1304","","","","","","1.08","","","","has coordinates","276548","2022-07-04","22:31:19",""
"7245138","50.83","0.004","5.9067","0.0004","32.66","0.002","90","","90","","90","","9805.8","1.2","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) trifluoromethanesulfonate","","- C59 H36 Ag F3 N4 O7 S -","- C59 H36 Ag F3 N4 O7 S -","- C472 H288 Ag8 F24 N32 O56 S8 -","8","0.5","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.1051","0.0767","","","0.141","0.1482","","","","","","1.22","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245139","17.1383","0.001","27.1434","0.0015","5.0213","0.0003","90","","90","","90","","2335.9","0.2","295","2","295","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) nitrate trihydrate","","- C58 H42 Ag N5 O10 -","- C58 H36 Ag N4 O4 -","- C116 H72 Ag2 N8 O8 -","2","0.25","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0626","0.0369","","","0.0766","0.0844","","","","","","1.059","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245140","19.887","0.0008","11.7908","0.0005","10.2014","0.0004","90","","84.289","0.001","90","","2380.19","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Mo N4 O7 Zn -","- C25 H18 Mo N4 O7 Zn -","- C100 H72 Mo4 N16 O28 Zn4 -","4","1","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0318","","","0.0782","0.0924","","","","","","1.088","","","","has coordinates","276708","2022-07-06","22:38:52",""
"7245141","12.0142","0.0005","19.6645","0.0009","22.4864","0.0011","81.387","0.001","76.824","0.001","89.566","0.001","5112.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C150 H128 Cr4 Mo24 N24 O128 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","1","0.5","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.1016","0.051","","","0.1175","0.1456","","","","","","1.008","","","","has coordinates","276708","2022-07-06","22:38:53",""
"7245142","21.4967","0.0003","17.7167","0.0003","27.0552","0.0004","90","","90","","90","","10304","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C80 H78 Mo12 N4 Nd O47 P5 -","- C80 H78 Mo12 N4 Nd O47 P5 -","- C320 H312 Mo48 N16 Nd4 O188 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","1.54184","CuKα","","0.0928","0.0894","","","0.2392","0.2428","","","","","","1.09","","","","has coordinates","276711","2022-07-06","22:40:43",""
"7245143","21.507","0.002","17.6612","0.0018","27.356","0.003","90","","90","","90","","10390.9","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Dy Mo12 O51 P5 -","- C80 H90 Dy Mo12 O51 P5 -","- C320 H360 Dy4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1119","0.0555","","","0.1118","0.1348","","","","","","1.008","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245144","21.49","0.003","17.646","0.003","27.381","0.004","90","","90","","90","","10383","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8.89 H9.89 Er0.11 Mo1.33 O5.67 P0.56 -","- C8.88889 H9.88889 Er0.111111 Mo1.33333 O5.66667 P0.555556 -","- C320 H356 Er4 Mo48 O204 P20 -","36","4.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.0847","0.0463","","","0.0948","0.1095","","","","","","1.031","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245145","21.5225","0.0019","17.6625","0.0017","27.352","0.003","90","","90","","90","","10397.6","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Ho Mo12 O51 P5 -","- C80 H90 Ho Mo12 O51 P5 -","- C320 H360 Ho4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.092","0.05","","","0.0977","0.1153","","","","","","1.04","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245146","25.36","0.002","14.4109","0.0013","24.175","0.002","90","","113.578","0.004","90","","8097.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er Mo12 N O59 P7 -","- C32 H77 Er Mo12 N O59 P7 -","- C128 H308 Er4 Mo48 N4 O236 P28 -","4","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1057","0.0634","","","0.1491","0.1676","","","","","","1.023","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245147","13.7635","0.0011","14.7371","0.0012","27.829","0.003","100.615","0.003","95.236","0.002","114.371","0.004","4964.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 Nd O68 P9 -","- C44 H102 Mo12 N2 Nd O68 P9 -","- C88 H204 Mo24 N4 Nd2 O136 P18 -","2","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1785","0.0925","","","0.2049","0.231","","","","","","1.238","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245148","13.8828","0.0003","20.9103","0.0005","30.2321","0.0007","84.678","0.001","86.015","0.001","84.537","0.001","8682.4","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C206 H62 N4 O8 -","- C206 H62 N4 O8 -","- C618 H186 N12 O24 -","3","1.5","","Wakahara, Takatsugu; Nagaoka, Kahori; Hirata, Chika; Miyazawa, Kun'ichi; Fujii, Kazuko; Matsushita, Yoshitaka; Ito, Osamu; Takagi, Makito; Shimazaki, Tomomi; Tachikawa, Masanori; Wada, Yoshiki; Yagyu, Shinjiro; Liu, Yubin; Nakajima, Yoshiyuki; Tsukagoshi, Kazuhito","Fullerene C70/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties","RSC Advances","2022","12","30","19548","19553","10.1039/D2RA02669D","","","0.71073","MoKα","","0.0646","0.0554","","","0.1427","0.1513","","","","","","1.038","","","","has coordinates","276723","2022-07-07","01:20:29",""
"7245149","11.4353","0.0002","8.3568","0.0001","18.7182","0.0002","90","","90","","90","","1788.76","0.04","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C48 H72 N24 S16 -","8","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","","1.54184","CuKα","","0.044","0.0412","","","0.1197","0.1229","","","","","","1.076","","","","has coordinates","276811","2022-07-22","23:28:41",""
"7245150","10.517","0.0002","10.8672","0.0001","8.4287","0.0001","90","","107.92","0.002","90","","916.59","0.02","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C24 H36 N12 S8 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0412","0.0383","","","0.1085","0.1115","","","","","","1.089","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245151","4.1956","0.0001","10.848","0.0003","13.5301","0.0004","99.138","0.002","93.308","0.002","93.37","0.002","605.53","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C16 H16 N8 S8 -","2","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0809","0.0832","","","","","","1.061","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245152","4.114","0.0001","12.3715","0.0001","23.8214","0.0002","90","","90.32","0.001","90","","1212.4","0.03","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C32 H32 N16 S16 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0284","0.026","","","0.0623","0.0635","","","","","","1.053","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245153","10.473","0.001","10.473","0.001","7.2162","0.0006","90","","90","","120","","685.46","0.11","342","","342","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.035","0.0288","","","0.0715","0.0742","","","","","","1.071","","","","has coordinates","276812","2022-07-22","23:29:18",""
"7245154","10.6103","0.0012","10.6103","0.0012","7.2328","0.0006","90","","90","","120","","705.17","0.13","446","","446","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.0833333","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0321","0.0284","","","0.0839","0.0873","","","","","","1.092","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245155","10.3782","0.0006","10.3782","0.0006","7.153","0.0004","90","","90","","120","","667.21","0.07","187","","187","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0352","0.03","","","0.0725","0.0747","","","","","","1.086","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245156","10.5556","0.0006","10.5556","0.0006","7.2239","0.0003","90","","90","","120","","697.06","0.06","390","","390","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0574","0.0452","","","0.1161","0.1259","","","","","","1.005","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245157","10.453","0.0005","10.453","0.0005","7.1875","0.0003","90","","90","","120","","680.13","0.05","303","","303","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.0648","0.0682","","","","","","1.097","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245158","10.3499","0.0005","10.3499","0.0005","7.1351","0.0004","90","","90","","120","","661.92","0.06","135","","135","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0282","0.0261","","","0.0814","0.0834","","","","","","0.71","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245159","10.411","0.0007","10.411","0.0007","7.1669","0.0004","90","","90","","120","","672.74","0.07","239","","239","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0317","0.0274","","","0.0665","0.068","","","","","","1.138","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245160","7.473","0.0001","7.6103","0.0002","21.7932","0.0004","94.377","0.002","100.099","0.002","97.933","0.002","1202.1","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N O7 S2 -","- C24 H22 Cl N O7 S2 -","- C48 H44 Cl2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0306","0.0287","","","0.0733","0.0746","","","","","","1.035","","","","has coordinates","276813","2022-07-22","23:30:03",""
"7245161","7.454","0.0001","7.6771","0.0001","22.1343","0.0002","93.932","0.001","98.393","0.001","97.715","0.001","1236.7","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 I N O7 S2 -","- C24 H22 I N O7 S2 -","- C48 H44 I2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0264","0.0257","","","0.0698","0.0704","","","","","","1.033","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245162","7.4632","0.0001","7.6243","0.0001","21.9289","0.0004","94.304","0.001","99.668","0.001","97.86","0.001","1212.36","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br N O7 S2 -","- C24 H22 Br N O7 S2 -","- C48 H44 Br2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.028","0.027","","","0.0692","0.0699","","","","","","1.061","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245163","10.0404","0.0008","9.926","0.0007","38.902","0.003","90","","90","","90","","3877","0.5","293","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BUC-92","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Wang, Fu-Xue; Zhang, Zi-Chen; Yi, Xiao-Hong; Wang, Chong-Chen; Wang, Peng; Wang, Chao-Yang; Yu, Bao Yi","A micron-sized Co-MOF sheet to active peroxymonosulfate for efficient organic pollutant degradation","CrystEngComm","2022","","","","","10.1039/D2CE00791F","","x-ray","0.71073","MoKα","","0.1231","0.0736","","","0.1745","0.1949","","","","","","1.044","","","","has coordinates","276814","2022-07-22","23:30:41",""
"7245164","12.8973","0.0011","13.329","0.0011","10.574","0.0009","90","","90","","90","","1817.8","0.3","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0305","0.0274","","","0.0666","0.068","","","","","","1.016","","","","has coordinates","276815","2022-07-22","23:31:34",""
"7245165","36.279","0.007","6.3131","0.001","17.888","0.003","90","","104.391","0.013","90","","3968.4","1.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C152 H136 B8 F16 I16 N16 -","8","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1133","0.0556","","","0.1069","0.1267","","","","","","1.042","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245166","6.649","0.002","10.479","0.004","14","0.005","106.646","0.008","96.659","0.008","97.135","0.008","915.5","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C38 H36 B2 F4 I2 N4 -","2","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1148","0.0729","","","0.1908","0.2136","","","","","","1.043","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245167","14.782","0.006","10.554","0.004","13.415","0.006","90","","107.167","0.007","90","","1999.6","1.4","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0682","0.0415","","","0.0857","0.0974","","","","","","1.023","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245168","10.7772","0.0015","13.5103","0.0019","15.027","0.002","90","","90","","90","","2188","0.5","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H16 B F2 I3 N2 -","- C19 H16 B F2 I3 N2 -","- C76 H64 B4 F8 I12 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0698","","","","","","1.034","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245169","7.5303","0.0007","9.5146","0.0008","9.5825","0.0009","70.618","0.002","66.864","0.001","66.689","0.001","567.02","0.09","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C20 H32 N4 O10 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1036","0.0877","","","0.2446","0.2739","","","","","","1.09","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245170","7.2019","0.0008","9.8663","0.0009","9.8663","0.0008","71.254","0.001","76.887","0.002","76.887","0.002","637.49","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1165","0.0766","","","0.1842","0.202","","","","","","1.07","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245171","6.9385","0.0006","9.2887","0.0008","10.7058","0.0009","83.234","0.003","74.443","0.002","84.182","0.003","658.32","0.1","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.0987","0.0673","","","0.1665","0.1831","","","","","","1.074","","","","has coordinates,has disorder","276816","2022-07-22","23:32:43",""
"7245172","20.0564","0.0016","10.9978","0.0008","17.5059","0.0013","90","","111.797","0.002","90","","3585.3","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gadolinium-Organic Compound","","","- C11 H4.5 Gd N1.5 O14 -","- C11 H4.5 Gd N1.5 O14 -","- C88 H36 Gd8 N12 O112 -","8","1","","Sarkar, Sourav; Singha, Debal Kanti; Majee, Prakash; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha","Stabilization of CO2 as zwitterionic carbamate within a coordination polymer (CP): synthesis, structure and anion sensing behaviour of a Tb-CP composite","CrystEngComm","2022","","","","","10.1039/D2CE00711H","","","0.71073","MoKα","","0.0316","0.0296","","","0.0924","0.1005","","","","","","1.207","","","","has coordinates","276817","2022-07-22","23:33:08",""
"7245173","7.9006","0.0011","14.2403","0.0019","35.402","0.005","90","","90","","90","","3983","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 N3 O12 P3 -","- C42 H30 N3 O12 P3 -","- C168 H120 N12 O48 P12 -","4","1","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.1053","0.065","","","0.1749","0.2017","","","","","","1.048","","","","has coordinates","276818","2022-07-22","23:33:41",""
"7245174","14.5753","0.0007","14.5753","0.0007","20.6709","0.0019","90","","90","","120","","3803","0.4","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C144 H90 N18 O36 -","6","0.333333","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.088","0.0523","","","0.1831","0.209","","","","","","1.094","","","","has coordinates,has disorder","276818","2022-07-22","23:33:41",""
"7245175","13.369","0.002","16.647","0.002","12.2989","0.0018","90","","115.706","0.002","90","","2466.3","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N6 O4 -","- C18 H12 Co N6 O4 -","- C72 H48 Co4 N24 O16 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0295","0.0285","","","0.0846","0.0854","","","","","","1.083","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245176","8.6637","0.0004","19.5196","0.0008","6.8599","0.0004","90","","99.97","0.005","90","","1142.57","0.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H8 Cl Co N3 O3 -","- C9 H8 Cl Co N3 O3 -","- C36 H32 Cl4 Co4 N12 O12 -","4","1","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0344","0.03","","","0.0756","0.0783","","","","","","1.111","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245177","10.8901","0.0008","8.7895","0.0008","19.6844","0.0016","90","","100.615","0.001","90","","1851.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0258","0.0246","","","0.063","0.0636","","","","","","1.05","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245178","10.1471","0.0009","13.7121","0.0012","14.0607","0.0012","90","","92.858","0.003","90","","1953.9","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 Cu N4 -","- C19 H17 Cl3 Cu N4 -","- C76 H68 Cl12 Cu4 N16 -","4","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0521","0.0441","","","0.1018","0.1081","","","","","","1.084","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245179","10.502","0.002","10.56","0.003","11.248","0.003","104.664","0.007","110.573","0.007","110.692","0.008","985.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cl10 Cu2 N8 -","- C30 H34 Cl10 Cu2 N8 -","- C30 H34 Cl10 Cu2 N8 -","1","0.5","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71076","MoKα","","0.033","0.0296","","","0.0726","0.0757","","","","","","1.074","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245180","7.8177","0.0004","25.0982","0.0014","12.3248","0.0007","90","","96.956","0.002","90","","2400.5","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl12 Cu3 N8 -","- C38 H38 Cl12 Cu3 N8 -","- C76 H76 Cl24 Cu6 N16 -","2","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0395","0.0349","","","0.0739","0.0757","","","","","","1.078","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245181","11.9919","0.0004","18.7337","0.0006","13.067","0.0004","90","","108.872","0.001","90","","2777.73","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H70 Cu3 Gd2 N4 O27 -","- C34 H70 Cu3 Gd2 N4 O27 -","- C68 H140 Cu6 Gd4 N8 O54 -","2","0.5","","Qasem, Khalil M. A.; Khan, Shabnam; Fitta, Magdalena; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Shahid, M.; Saleh, Hatem A. M.; Ahmad, Musheer","A new {Cu3–Gd2} cluster as a two-in-one functional material with unique topology acting as a refrigerant and adsorbent for cationic dye","CrystEngComm","2022","","","","","10.1039/D2CE00795A","","","0.71073","MoKα","","0.0306","0.0246","","","0.0591","0.0633","","","","","","1.0554","","","","has coordinates","276821","2022-07-22","23:35:53",""
"7245182","7.9401","0.0016","5.1377","0.0011","23.485","0.005","90","","94.421","0.016","90","","955.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C48 H40 N8 O4 -","2","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","0.71073","MoKα","","0.1055","0.055","","","0.1202","0.1429","","","","","","1.012","","","","has coordinates","276822","2022-07-22","23:36:59",""
"7245183","9.797","0.0009","9.962","0.0007","11.135","0.0009","100.052","0.006","114.832","0.008","92.202","0.006","963.51","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.46 H48.91 N4.46 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","1.54184","CuKα","","0.0644","0.0551","","","0.1564","0.1642","","","","","","1.094","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245184","9.505","0.002","18.124","0.004","18.211","0.004","96.9","0.01","90.088","0.009","97.374","0.011","3088.2","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H53 Co3 N7 O17 -","- C57 H53 Co3 N7 O17 -","- C114 H106 Co6 N14 O34 -","2","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.54178","CuKα","","0.1435","0.0948","","","0.2525","0.2911","","","","","","1.038","","","","has coordinates","276822","2022-07-22","23:37:00",""
"7245185","27.2418","0.0009","26.6132","0.0009","31.8614","0.001","90","","111.736","0.001","90","","21456.9","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H122 N10 O34 Zn8 -","- C150 H122 N10 O34 Zn8 -","- C600 H488 N40 O136 Zn32 -","4","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.34139","GaKα","","0.0629","0.0578","","","0.1826","0.188","","","","","","1.034","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245186","5.21734","0.00027","6.6613","0.00024","22.6335","0.0009","90","","90","","90","","786.61","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","","Momenzadeh Abardeh, Zahrasadat; Salimi, Alireza; Oganov, Artem R.","Crystal structure prediction of N-halide phthalimide compounds: Halogen bond synthon as a touchstone","CrystEngComm","2022","","","","","10.1039/D2CE00476C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08395","","0.98","","","","","","","has coordinates","276823","2022-07-22","23:37:36",""
"7245187","16.9895","0.0007","6.1074","0.0002","12.0498","0.0009","90","","101.833","0.006","90","","1223.74","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C56 H70 F2 O14 -","2","1","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09165","2.24889","","","","","","","has coordinates","276824","2022-07-22","23:38:04",""
"7245188","18.9012","0.0007","6.10485","0.00019","22.6364","0.0015","90","","109.25","0.004","90","","2466","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09288","2.45548","","","","","","","has coordinates","276824","2022-07-22","23:38:05",""
"7245189","8.8424","0.0009","12.5877","0.0012","26.417","0.004","90","","90","","90","","2940.4","0.6","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer","Green Chemistry","2022","24","19","7403","7409","10.1039/D2GC01966C","","x-ray","0.71073","MoKα","","0.0566","0.0443","","","0.1028","0.1108","","","","","","1.077","","","","has coordinates","278421","2022-10-07","00:55:38",""
"7245190","7.8246","0.0006","9.2051","0.0007","10.7849","0.0012","94.614","0.008","101.272","0.008","99.213","0.007","746.96","0.12","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C36 H38 N2 O4 -","2","1","","Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer","Green Chemistry","2022","24","19","7403","7409","10.1039/D2GC01966C","","x-ray","0.71073","MoKα","","0.0547","0.0469","","","0.1131","0.1209","","","","","","1.054","","","","has coordinates","278421","2022-10-07","00:55:38",""
"7245191","6.7194","0.0006","7.7474","0.0007","12.013","0.0011","88.533","0.007","79.948","0.008","87.813","0.007","615.21","0.1","199.99","0.1","199.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br O4 S -","- C10 H13 Br O4 S -","- C20 H26 Br2 O8 S2 -","2","1","","Liu, Jiang; Xu, Jingcheng; Mei, Haibo; Han, Jianlin","Electrochemical multi-component reaction of potassium metabisulfite with alkenes and alcohols enabling synthesis of sulfonate esters","Green Chemistry","2022","24","16","6113","6118","10.1039/D2GC01909D","","x-ray","0.71073","MoKα","","0.0601","0.0418","","","0.0872","0.096","","","","","","1.005","","","","has coordinates","278426","2022-10-07","00:56:22",""
"7245192","9.3505","0.001","10.5661","0.0014","11.8126","0.0013","79.178","0.004","74.762","0.003","80.249","0.004","1097.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N3 O -","- C29 H21 N3 O -","- C58 H42 N6 O2 -","2","1","","Jalani, Hitesh B.; Sivaraman, Aneesh; Min, Kyoung ho; Lee, Hwa Young; Oh, Na Kyoung; Kang, Hyeseul; Keum, Gyochang; Choi, Yongseok; Lee, Kyeong","Metal/catalyst-free sequential C–N bond forming cascades at room temperature: environment-friendly one-pot synthesis of 5-aminoimidazoles from aryl glyoxals, anilines, and amidines","Green Chemistry","2022","24","17","6501","6510","10.1039/D2GC01407F","","","0.71075","MoKα","","0.0593","0.0472","","","0.133","0.1444","","","","","","1.144","","","","has coordinates","278418","2022-10-07","00:55:11",""
"7245193","8.7917","0.00018","10.247","0.0002","19.1126","0.0004","90","","98.05","0.002","90","","1704.86","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F3 N2 O S -","- C19 H17 F3 N2 O S -","- C76 H68 F12 N8 O4 S4 -","4","1","","Lan, Jianyong; Lin, Kejun; Zhang, Xing; Zhu, Tingshun","Stereoselective migratory heteroaryltrifluoromethylation of allylic amines via electrosynthesis","Green Chemistry","2022","24","16","6138","6144","10.1039/D2GC00960A","","x-ray","1.54184","CuKα","","0.0447","0.0415","","","0.1047","0.1072","","","","","","1.066","","","","has coordinates","278425","2022-10-07","00:56:11",""
"7245194","15.1633","0.001","5.1388","0.0003","17.4106","0.0011","90","","101.494","0.003","90","","1329.45","0.14","209.99","","209.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","LXF-118-nl","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Lei, Xiaofang; Angeli, Giasemi K.; Neochoritis, Constantinos G.; Dömling, Alexander","Sustainable multicomponent indole synthesis with broad scope","Green Chemistry","2022","24","16","6168","6171","10.1039/D2GC02060B","","","1.54178","CuKα","","0.0426","0.0384","","","0.1097","0.1248","","","","","","1.142","","","","has coordinates","278423","2022-10-07","00:55:56",""
"7245195","9.4666","0.0003","9.9691","0.0003","16.311","0.0004","100.153","0.001","104.072","0.001","92.751","0.001","1463.08","0.07","199.98","","199.98","","","","","","","","","5","P -1","-P 1","2","","LXF-125nl","","- C17 H15 Cl N2 O -","- C17 H15 Cl N2 O -","- C68 H60 Cl4 N8 O4 -","4","2","","Lei, Xiaofang; Angeli, Giasemi K.; Neochoritis, Constantinos G.; Dömling, Alexander","Sustainable multicomponent indole synthesis with broad scope","Green Chemistry","2022","24","16","6168","6171","10.1039/D2GC02060B","","","1.54178","CuKα","","0.0413","0.0375","","","0.108","0.1122","","","","","","1.065","","","","has coordinates","278423","2022-10-07","00:55:56",""
"7245196","9.4927","0.0005","9.4927","0.0005","47.965","0.005","90","","90","","90","","4322.2","0.6","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H27 O6 P -","- C23 H27 O6 P -","- C184 H216 O48 P8 -","8","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0505","0.0454","","","0.0966","0.0988","","","","","","1.145","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245197","11.9882","0.0007","12.7368","0.0008","16.1339","0.0009","90","","90","","90","","2463.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O8 P -","- C24 H27 O8 P -","- C96 H108 O32 P4 -","4","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0476","0.042","","","0.1002","0.1033","","","","","","1.047","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245198","21.0695","0.001","12.6077","0.0006","12.0415","0.0006","90","","90","","90","","3198.7","0.3","90","0.16","90","0.16","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C3.65 H16.27 Br0.21 N0.22 O9.66 -","- C3.8998 H25.4616 Br0.219625 N0.2294 O9.62957 -","- C31.1984 H203.693 Br1.757 N1.8352 O77.0366 -","8","1","","Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi","Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02625B","","x-ray","0.71073","MoKα","","0.0748","0.0493","","","0.1117","0.1188","","","","","","1.083","","","","has coordinates,has disorder","276878","2022-07-23","02:44:34",""
"7245199","21.0695","0.001","12.6077","0.0006","12.0415","0.0006","90","","90","","90","","3198.7","0.3","90","0.16","90","0.16","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C3.65 H16.27 Br0.21 N0.22 O9.66 -","- C4.25 H18.9088 Br0.218475 N0.25 O9.696 -","- C34 H151.27 Br1.7478 N2 O77.568 -","8","1","","Muromachi, Sanehiro; Kida, Masato; Morimoto, Masato; Yamane, Shogo; Takeya, Satoshi","Designing the structure and relevant properties of semiclathrate hydrates by partly asymmetric alkylammonium salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02625B","","x-ray","0.71073","MoKα","","0.0825","0.0573","","","0.1549","0.1639","","","","","","1.105","","","","has coordinates,has disorder","276878","2022-07-23","02:44:35",""
"7245200","7.3987","0.0002","16.0317","0.0004","18.002","0.0004","90","","98.686","0.001","90","","2110.79","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F12 N2 O2 -","- C18 H12 F12 N2 O2 -","- C72 H48 F48 N8 O8 -","4","1","","Storer, Maria Chiara; Hunter, Christopher A.","Quantification of secondary electrostatic interactions in H-bonded complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03004G","","","1.54178","CuKα","","0.095","0.0834","","","0.2496","0.2655","","","","","","1.079","","","","has coordinates","276880","2022-07-23","02:45:19",""
"7245201","11.1618","0.0007","12.3056","0.0007","11.4093","0.0007","90","","97.225","0.003","90","","1554.65","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F6 N2 O -","- C16 H12 F6 N2 O -","- C64 H48 F24 N8 O4 -","4","1","","Storer, Maria Chiara; Hunter, Christopher A.","Quantification of secondary electrostatic interactions in H-bonded complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03004G","","","1.54178","CuKα","","0.0516","0.0479","","","0.1246","0.1283","","","","","","1.075","","","","has coordinates,has disorder","276880","2022-07-23","02:45:19",""
"7245202","7.2224","0.0006","7.6112","0.0006","23.3315","0.0018","90","","91.93","0.002","90","","1281.83","0.18","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl4 Cu N2 -","- C6 H18 Cl4 Cu N2 -","- C24 H72 Cl16 Cu4 N8 -","4","1","","Choi, Moon Young; Lee, Seon Ju; Ju, Huiyeong; Lim, Ae Ran","Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH3(CH2)6NH3]CuCl4 crystals","RSC Advances","2022","12","32","20679","20685","10.1039/D2RA02975H","","","0.71073","MoKα","","0.0793","0.051","","","0.1214","0.1407","","","","","","1.071","","","","has coordinates","276881","2022-07-23","03:09:42",""
"7245203","8.7875","0.0005","8.8129","0.0005","11.7354","0.0006","93.835","0.002","111.598","0.002","96.227","0.002","834.41","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Zhou, Zitong; Luo, Danyang; Li, Guanrong; Yang, Zhongtao; Cui, Liao; Yang, Weiguang","Copper-catalyzed three-component reaction to synthesize polysubstituted imidazo[1,2-a]pyridines","RSC Advances","2022","12","31","20199","20205","10.1039/D2RA02722D","","","0.71073","MoKα","","0.0481","0.0388","","","0.1068","0.1133","","","","","","1.046","","","","has coordinates","276882","2022-07-23","03:10:06",""
"7245204","4.8798","0.0003","17.8602","0.0009","15.7045","0.0008","90","","90.206","0.003","90","","1368.7","0.13","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O -","- C15 H17 Cl N2 O -","- C60 H68 Cl4 N8 O4 -","4","1","","Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen","Base-promoted direct amidation of esters: beyond the current scope and practical applications","RSC Advances","2022","12","32","20555","20562","10.1039/D2RA03524C","","","0.71073","MoKα","","0.1287","0.0712","","","0.1286","0.151","","","","","","1.027","","","","has coordinates","276883","2022-07-23","03:10:53",""
"7245205","8.7084","0.0003","10.204","0.0005","19.0448","0.0007","90","","92.691","0.004","90","","1690.46","0.12","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen","Base-promoted direct amidation of esters: beyond the current scope and practical applications","RSC Advances","2022","12","32","20555","20562","10.1039/D2RA03524C","","x-ray","1.54184","CuKα","","0.0562","0.0431","","","0.1071","0.1178","","","","","","1.028","","","","has coordinates","276883","2022-07-23","03:10:54",""
"7245206","10.1008","0.0011","23.219","0.003","10.2424","0.0009","90","","108.434","0.004","90","","2278.9","0.4","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.0744","0.0466","","","0.1111","0.1252","","","","","","1.024","","","","has coordinates","276884","2022-07-23","03:11:57",""
"7245207","7.341","0.0014","15.791","0.003","17.132","0.004","90","","94.737","0.007","90","","1979.2","0.7","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cl N O2 -","- C25 H18 Cl N O2 -","- C100 H72 Cl4 N4 O8 -","4","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","x-ray","0.71073","MoKα","","0.1381","0.068","","","0.1674","0.2056","","","","","","1.026","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245208","9.696","0.003","12.279","0.004","13.367","0.004","69.289","0.003","74.425","0.003","68.877","0.003","1370.3","0.7","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O -","- C39 H27 N O -","- C78 H54 N2 O2 -","2","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.0535","0.0442","","","0.1215","0.1282","","","","","","1.071","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245209","12.978","0.006","13.234","0.006","13.515","0.006","72.58","0.015","78.27","0.015","74.539","0.015","2115.3","1.7","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H45 N O3 -","- C55 H45 N O3 -","- C110 H90 N2 O6 -","2","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.1123","0.0511","","","0.1144","0.1416","","","","","","1.006","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245210","8.912","0.002","6.7346","0.0016","22.581","0.006","90","","96.102","0.014","90","","1347.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Mehreen, Saba; Zia, Mehwash; Khan, Ajmal; Hussain, Javid; Ullah, Saeed; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation","RSC Advances","2022","12","32","20919","20928","10.1039/D2RA03307K","","","0.71073","MoKα","","0.1189","0.0819","","","0.1912","0.212","","","","","","1.117","","","","has coordinates","276885","2022-07-23","03:13:05",""
"7245211","8.324","0.01","8.326","0.01","12.233","0.016","92.36","0.05","106.63","0.04","116.57","0.04","712.3","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cl F N O3 -","- C16 H11 Cl F N O3 -","- C32 H22 Cl2 F2 N2 O6 -","2","1","","Mehreen, Saba; Zia, Mehwash; Khan, Ajmal; Hussain, Javid; Ullah, Saeed; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation","RSC Advances","2022","12","32","20919","20928","10.1039/D2RA03307K","","","0.71073","MoKα","","0.0979","0.0457","","","0.1009","0.1211","","","","","","1.028","","","","has coordinates","276885","2022-07-23","03:13:08",""
"7245212","8.0569","0.0002","36.1507","0.0007","8.9337","0.0002","90","","90.44","0.002","90","","2601.98","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H102 N24 O25 -","- C102 H102 N24 O25 -","- C102 H102 N24 O25 -","1","0.25","","Liao, Lieqiang; Liu, Ruidong; Hu, Shuwen; Jiang, Wenting; Chen, Yali; Zhong, Jinlian; Jia, Xinjian; Liu, Huijin; Luo, Xuzhong","Self-assembled sonogels formed from 1,4-naphthalenedicarbonyldinicotinic acid hydrazide","RSC Advances","2022","12","31","20218","20226","10.1039/D2RA01391F","","x-ray","1.54178","CuKα","","0.1123","0.1023","","","0.2832","0.2949","","","","","","1.05","","","","has coordinates","276886","2022-07-23","03:13:29",""
"7245213","24.5506","0.0014","14.4941","0.0004","24.966","0.0013","90","","125.773","0.008","90","","7207.8","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C86 H63 Cl3 N6 O10 -","- C86 H63 Cl3 N6 O10 -","- C344 H252 Cl12 N24 O40 -","4","1","","Zhong, Jialing; Pan, Rihuang; Lin, Xufeng","Enantioselective synthesis of α-tetrasubstituted (3-indolizinyl) (diaryl)methanamines via chiral phosphoric acid catalysis","RSC Advances","2022","12","32","20499","20506","10.1039/D2RA03750E","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","276887","2022-07-23","03:13:48",""
"7245214","14.3168","0.0008","18.7687","0.0011","8.9267","0.0005","90","","90","","90","","2398.7","0.2","150","","143","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0612","0.0378","","","0.092","0.1089","","","","","","1.0967","","","","has coordinates,has disorder","276947","2022-07-26","22:35:41",""
"7245215","14.325","0.0006","19.0152","0.0008","8.917","0.0004","90","","90","","90","","2428.93","0.18","300","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0791","0.0423","","","0.0947","0.1146","","","","","","1.0671","","","","has coordinates,has disorder","276947","2022-07-26","22:35:49",""
"7245216","14.3252","0.0005","18.935","0.0007","8.9216","0.0003","90","","90","","90","","2419.96","0.15","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0602","0.0379","","","0.0889","0.1027","","","","","","1.0801","","","","has coordinates,has disorder","276947","2022-07-26","22:35:52",""
"7245217","14.3204","0.0009","18.8505","0.0013","8.9253","0.0006","90","","90","","90","","2409.4","0.3","200","","196","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Cu2 N3 P -","- C27 H23 Cu2 N3 P -","- C108 H92 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0695","0.0426","","","0.1067","0.1233","","","","","","1.0581","","","","has coordinates,has disorder","276947","2022-07-26","22:36:03",""
"7245218","14.3334","0.0008","19.0929","0.0011","8.9152","0.0005","90","","90","","90","","2439.8","0.2","350","","357","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.067","0.0396","","","0.0954","0.1147","","","","","","1.085","","","","has coordinates,has disorder","276947","2022-07-26","22:36:05",""
"7245219","14.3364","0.0017","19.171","0.002","8.9148","0.0011","90","","90","","90","","2450.2","0.5","400","","410","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0616","0.0387","","","0.0962","0.1136","","","","","","1.0949","","","","has coordinates,has disorder","276947","2022-07-26","22:36:08",""
"7245220","11.7946","0.0009","9.3562","0.0008","18.9259","0.0016","90","","105.551","0.002","90","","2012.1","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O5 -","- C20 H29 N3 O5 -","- C80 H116 N12 O20 -","4","2","","Kumar, Satish; Borish, Kshetrimayum; Dey, Sanjit; Nagesh, Jayashree; Das, Aloke","Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01306A","","","0.71073","MoKα","","0.2075","0.0837","","","0.1039","0.1319","","","","","","1.024","","","","has coordinates","276955","2022-07-27","00:55:17",""
"7245221","6.7753","0.0003","13.9706","0.0005","17.457","0.0006","79.336","0.001","82.547","0.001","76.051","0.0009","1569.68","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 Cl7 Ga2 -","- C32 H20 Cl7 Ga2 -","- C64 H40 Cl14 Ga4 -","2","1","","Flynn, Chase; Zhou, Zheng; McCormack, Megan E.; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","Bonding and uneven charge distribution in infinite pyrene π-stacks","CrystEngComm","2022","","","","","10.1039/D2CE00933A","","","1.54178","CuKα","","0.0544","0.0502","","","0.1521","0.1555","","","","","","1.07","","","","has coordinates,has disorder","276985","2022-07-28","22:34:30",""
"7245222","15.2375","0.001","8.1987","0.0003","16.1855","0.0012","90","","104.826","0.007","90","","1954.7","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H12 F4 I2 -","- C21 H12 F4 I2 -","- C84 H48 F16 I8 -","4","2","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0674","0.0469","","","0.0914","0.0999","","","","","","1.077","","","","has coordinates","276986","2022-07-28","22:35:00",""
"7245223","5.9997","0.0004","9.7209","0.001","12.2681","0.001","73.604","0.008","89.751","0.006","81.821","0.007","678.94","0.1","300","","300","","","","","","","","","4","P -1","-P 1","2","","A(I2F4)2","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0387","0.0293","","","0.0595","0.0633","","","","","","1.053","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245224","8.1105","0.0005","10.3429","0.0005","16.2211","0.0008","97.45","0.004","103.319","0.005","98.14","0.005","1292.05","0.13","300","","300","","","","","","","","","4","P -1","-P 1","2","","I2F4:MA 1:4","","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0727","0.0529","","","0.0955","0.1035","","","","","","1.074","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245225","16.5206","0.0005","7.649","0.0003","14.4843","0.0005","90","","91.55","0.001","90","","1829.65","0.11","297.15","","297.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthroline-1,2,4,5-tetracyanobenzene","","- C22 H10 N6 -","- C22 H10 N6 -","- C88 H40 N24 -","4","1","","Wang, Jing; Xu, Shuping; Xue, Xiangxin; zhao, lina; Xu, Weiqing","Tunable multiple light emissions of core-shell structures based on rare earth ions doped on the surfaces of organic cocrystals","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02288E","","","0.71076","MoKα","","0.0886","0.0473","","","0.1085","0.1426","","","","","","1.04","","","","has coordinates","276992","2022-07-29","00:50:11",""
"7245226","9.4847","0.0012","9.8569","0.0013","23.787","0.003","91.327","0.003","100.187","0.003","114.405","0.003","1981.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H30 I4 N4 O3 -","- C41.001 H30 I4 N4 O3.001 -","- C82.002 H60 I8 N8 O6.002 -","2","1","","Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.","Structure–property investigations in urea tethered iodinated triphenylamines","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01856J","","x-ray","0.71073","MoKα","","0.061","0.0373","","","0.0721","0.0818","","","","","","1.035","","","","has coordinates,has disorder","276993","2022-07-29","00:51:24",""
"7245227","9.7182","0.0003","8.0639","0.0002","11.5611","0.0003","90","","107.391","0.0009","90","","864.59","0.04","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 I2 N O -","- C18.9994 H12.9994 I2.0001 N O0.9994 -","- C37.9988 H25.9988 I4.0002 N2 O1.9988 -","2","1","","Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.","Structure–property investigations in urea tethered iodinated triphenylamines","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01856J","","x-ray","0.71073","MoKα","","0.0296","0.0275","","","0.0644","0.0662","","","","","","1.16","","","","has coordinates,has disorder","276993","2022-07-29","00:51:25",""
"7245228","9.5202","0.0004","10.0356","0.0004","23.9703","0.0009","92.092","0.002","100.214","0.002","114.586","0.002","2033.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.89 H35.78 I4 N4 O2.45 -","- C41.888 H35.776 I4 N4 O2.444 -","- C83.776 H71.552 I8 N8 O4.888 -","2","1","","Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.","Structure–property investigations in urea tethered iodinated triphenylamines","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01856J","","x-ray","0.71073","MoKα","","0.0455","0.0362","","","0.0745","0.0771","","","","","","1.242","","","","has coordinates,has disorder","276993","2022-07-29","00:51:25",""
"7245229","9.4579","0.0004","9.9193","0.0004","23.4761","0.0009","90.91","0.001","99.539","0.002","114.954","0.001","1960.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 I2 N3 O -","- C20 H17 I2 N3 O -","- C80 H68 I8 N12 O4 -","4","2","","Hossain, Muhammad Saddam; Ahmed, Fiaz; Karakalos, Stavros G.; Smith, Mark D.; Pant, Namrata; Garashchuk, Sophya; Greytak, Andrew B.; Docampo, Pablo; Shimizu, Linda S.","Structure–property investigations in urea tethered iodinated triphenylamines","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01856J","","x-ray","0.71073","MoKα","","0.0442","0.0275","","","0.0512","0.0553","","","","","","1.021","","","","has coordinates","276993","2022-07-29","00:51:25",""
"7245230","10.7456","0.0005","36.5825","0.0016","15.7867","0.0007","90","","98.164","0.001","90","","6142.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cd2 N9 O13 -","- C55 H36 Cd2 N9 O13 -","- C220 H144 Cd8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0757","0.058","","","0.147","0.155","","","","","","1.047","","","","has coordinates","277028","2022-08-01","22:35:38",""
"7245231","4.96","0.0005","10.1397","0.0011","11.8715","0.0012","67.798","0.002","81.007","0.002","86.591","0.002","545.99","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","1","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0235","0.0231","","","0.0562","0.0564","","","","","","1.028","","","","has coordinates,has disorder","277028","2022-08-01","22:35:39",""
"7245232","7.9323","0.0017","11.895","0.003","12.694","0.003","97.585","0.004","101.921","0.004","94.309","0.004","1155.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O7 Zn -","- C26 H20 N4 O7 Zn -","- C52 H40 N8 O14 Zn2 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1142","0.0568","","","0.1141","0.1367","","","","","","1.01","","","","has coordinates","277028","2022-08-01","22:35:39",""
"7245233","17.6671","0.0006","19.4948","0.0006","15.545","0.0005","90","","90","","90","","5354","0.3","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C26 H22 N4 O8 Zn -","- C26 H22 N4 O8 Zn -","- C208 H176 N32 O64 Zn8 -","8","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0361","0.0289","","","0.0791","0.0842","","","","","","1.059","","","","has coordinates","277028","2022-08-01","22:35:40",""
"7245234","10.7737","0.0009","14.7826","0.0011","20.3526","0.0016","90.83","0.002","91.007","0.002","109.013","0.002","3063.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H49 Cd2 N11 O15 -","- C65 H43.446 Cd2 N11 O15 -","- C130 H86.892 Cd4 N22 O30 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0953","0.0849","","","0.2153","0.2209","","","","","","1.074","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245235","10.7796","0.0007","36.563","0.002","15.8187","0.001","90","","97.978","0.001","90","","6174.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cu2 N9 O13 -","- C55 H40 Cu2 N9 O13 -","- C220 H160 Cu8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1104","0.09","","","0.2683","0.2844","","","","","","1.043","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245236","8.0245","0.0005","8.4915","0.0005","14.9566","0.0007","87.548","0.005","74.813","0.005","65.13","0.006","889.69","0.1","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","roseolumiflavin 2,4-diaminopyrimidine","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 2,4-diaminopyrimidine","","- C18 H21 N9 O2 -","- C18 H21 N9 O2 -","- C36 H42 N18 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0942","0.0557","","","0.1419","0.1678","","","","","","1.006","","","","has coordinates","277029","2022-08-01","22:37:05",""
"7245237","12.7469","0.001","7.0326","0.0008","14.3336","0.0013","90","","99.135","0.005","90","","1268.6","0.2","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","roseolumiflavin","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","","0.71073","MoKα","","0.0729","0.0493","","","0.1259","0.1399","","","","","","1.007","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245238","7.7683","0.0003","12.2451","0.0005","14.6375","0.0005","108.28","0.004","91.09","0.003","96.577","0.004","1311.17","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","roseolumiflavin 1,4-diiodotetrafluorobenzene","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 1,4-diiodotetrafluorobenzene","","- C23 H15 F6 I3 N5 O2 -","- C23 H15 F6 I3 N5 O2 -","- C46 H30 F12 I6 N10 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.0926","0.0941","","","","","","1.112","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245239","6.9603","0.0004","18.1475","0.0007","28.0356","0.0012","90","","90","","90","","3541.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","roseolumiflavin acetylenedicarboxylic acid","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione but-2-ynedioic acid","","- C18 H17 N5 O6 -","- C18 H17 N5 O6 -","- C144 H136 N40 O48 -","8","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.1082","0.0617","","","0.1391","0.1645","","","","","","0.996","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245240","22.737","","22.737","","9.143","","90","","90","","90","","4726.67","","77","","77","","","","","","","","","5","P 43","P 4cw","78","","Argyrin-D","","- C168 H184 N40 O32 S4 -","- C42 H48 N10 O8 S -","- C168 H192 N40 O32 S4 -","4","1","","Gorelik, Tatiana E.; Tehrani, Kamal; Gruene, Tim; Monecke, Thomas; Niessing, Dierk; Kaiser, Ute; Blankenfeldt, Wulf; Müller, Rolf","Crystal structure of natural product argyrin-D determined by 3D electron diffraction","CrystEngComm","2022","","","","","10.1039/D2CE00707J","","","0.0251","electrons","","0.2232","0.178","","","0.4023","0.4327","","","","","","1.296","","","","has coordinates","277045","2022-08-02","22:36:04",""
"7245241","24.0297","0.0014","18.1938","0.0011","19.0238","0.0011","90","","97.312","0.003","90","","8249.4","0.8","106.73","","106.73","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H122 Nb6 O34 -","- C58 H122 Nb6 O34 -","- C232 H488 Nb24 O136 -","4","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.075","0.058","","","0.1379","0.1521","","","","","","1.05","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245242","8.0483","0.0009","18.5558","0.0019","18.624","0.002","68.271","0.004","81.253","0.005","84.084","0.005","2550.4","0.5","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","1","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.1614","0.0675","","","0.1174","0.1442","","","","","","1.011","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245243","15.3902","0.0012","20.0542","0.0014","17.528","0.0013","90","","90.114","0.003","90","","5409.8","0.7","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 Nb4 O20 -","- C42 H78 N2 Nb4 O20 -","- C168 H312 N8 Nb16 O80 -","4","1","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.0364","0.0313","","","0.0736","0.0764","","","","","","1.019","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245244","17.5657","0.0006","17.8718","0.0006","24.6678","0.0007","83.624","0.003","78.593","0.003","66.807","0.003","6972.8","0.4","98","4","98","4","","","","","","","","8","P -1","-P 1","2","","","","- C128 H184 Dy2 F2 Na8 O154.65 P2 W22 -","- C128 H184 Dy2 F Na8 O151.5 P2 W22 -","- C128 H184 Dy2 F Na8 O151.5 P2 W22 -","1","0.5","","Wu, Dong-Fang; Takahashi, Kiyonori; Fujibayashi, Masaru; Tsuchiya, Naoto; Cosquer, Goulven; Huang, Rui-Kang; Xue, Chen; Nishihara, Sadafumi; Nakamura, Takayoshi","Fluoride-bridged dinuclear dysprosium complex showing single-molecule magnetic behavior: supramolecular approach to isolate magnetic molecules","RSC Advances","2022","12","33","21280","21286","10.1039/D2RA04119G","","x-ray","1.54184","CuKα","","0.1056","0.0824","","","0.246","0.2705","","","","","","1.034","","","","has coordinates,has disorder","277051","2022-08-03","01:15:33",""
"7245245","14.9249","0.0006","11.7152","0.0004","19.1338","0.0007","90","","104.921","0.004","90","","3232.7","0.2","293","2","293","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0745","0.0547","","","0.1856","0.2481","","","","","","1.112","","","","has coordinates","277056","2022-08-03","22:29:31",""
"7245246","6.0013","0.0002","16.6234","0.0006","8.3924","0.0003","90","","91.974","0.003","90","","836.75","0.05","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0442","0.0398","","","0.0979","0.1014","","","","","","0.989","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245247","8.6118","0.0003","16.6368","0.0008","12.4195","0.0006","90","","100.26","0.004","90","","1750.92","0.14","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0944","0.0747","","","0.2048","0.2336","","","","","","1.081","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245248","9.042","0.0004","18.3274","0.0005","11.5796","0.0004","90","","110.56","0.004","90","","1796.7","0.12","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0906","0.0589","","","0.1585","0.1759","","","","","","1.126","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245249","8.3589","0.0003","10.1168","0.0003","21.3108","0.0007","90","","99.806","0.003","90","","1775.83","0.1","298","2","298.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0657","0.0464","","","0.1218","0.1318","","","","","","1.104","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245250","12.1162","0.0006","8.665","0.0005","15.2466","0.0008","90","","94.663","0.004","90","","1595.39","0.15","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0653","0.0533","","","0.1293","0.1352","","","","","","1.069","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245251","15.9848","0.001","13.5213","0.0009","19.9924","0.0014","90","","97.5038","0.0018","90","","4284.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Eu2 N3 O19 -","- C39 H27 Eu2 N3 O18 -","- C156 H108 Eu8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0871","0.0461","","","0.0714","0.0804","","","","","","1.016","","","","has coordinates","277057","2022-08-03","22:31:22",""
"7245252","16.0024","0.001","13.5248","0.0008","19.9626","0.0012","90","","97.45","0.002","90","","4284","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 N3 O19 Tb2 -","- C39 H27 N3 O18 Tb2 -","- C156 H108 N12 O72 Tb8 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0402","0.0277","","","0.0603","0.0653","","","","","","1.008","","","","has coordinates","277057","2022-08-03","22:31:25",""
"7245253","15.972","0.001","13.5069","0.0008","19.938","0.0012","90","","97.696","0.002","90","","4262.5","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Gd2 N3 O19 -","- C39 H27 Gd2 N3 O18 -","- C156 H108 Gd8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0668","0.0755","","","","","","1.018","","","","has coordinates","277057","2022-08-03","22:31:27",""
"7245254","16.0071","0.0009","13.5039","0.0008","19.8981","0.0012","90","","97.694","0.001","90","","4262.4","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Ho2 N3 O19 -","- C39 H27 Ho2 N3 O18 -","- C156 H108 Ho8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0453","0.0298","","","0.0561","0.0607","","","","","","0.994","","","","has coordinates","277057","2022-08-03","22:31:37",""
"7245255","15.9959","0.001","13.5136","0.0008","19.9109","0.0012","90","","97.597","0.002","90","","4266.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Dy2 N3 O19 -","- C39 H27 Dy2 N3 O18 -","- C156 H108 Dy8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0455","0.0323","","","0.0688","0.0734","","","","","","1.011","","","","has coordinates","277057","2022-08-03","22:31:38",""
"7245256","10.1227","0.0017","19.823","0.002","21.73","0.005","90","","90","","90","","4360.4","1.3","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MSP-348_250K","","","- C24 H28 F2 N2 O -","- C24 H28 F2 N2 O -","- C192 H224 F16 N16 O8 -","8","1","","Rodríguez, Ricardo I.; Sicignano, Marina; García, Montaña J.; Enríquez, Rodrigo G.; Cabrera, Silvia; Alemán, José","Taming photocatalysis in flow: easy and speedy preparation of α-aminoamide derivatives","Green Chemistry","2022","24","17","6613","6618","10.1039/D2GC02087D","","","0.71073","MoKα","","0.1001","0.0504","","","0.1215","0.1445","","","","","","1.042","","","","has coordinates","278419","2022-10-07","00:55:18",""
"7245257","3.7587","0.0008","11.009","0.002","19.568","0.004","90","","90.97","0.03","90","","809.6","0.3","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Bolla, Geetha; Guo, Junfeng; Zhao, Huijuan; Lv, Shaokai; Liu, Jie; Li, Yang; Zhen, Yonggang; Liao, Qing; Wang, Xinran; Fu, Hongbing; Dong, Huanli; Wang, Zongrui; Wang, Zhaohui; Hu, Wenping","Pyridyl substitution at the 2,6-positions of anthracene toward crystal polymorphs with distinct optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00899H","","","0.71073","MoKα","","0.0469","0.0453","","","0.1036","0.1047","","","","","","1.107","","","","has coordinates","277073","2022-08-04","22:32:03",""
"7245258","13.0924","0.0002","12.3143","0.0002","14.7809","0.0002","90","","94.866","0.001","90","","2374.44","0.06","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.0386","","","0.1044","0.1054","","","","","","1.089","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245259","21.6173","0.0004","9.16","0.0001","22.6182","0.0003","90","","115.863","0.002","90","","4030.14","0.12","123","2","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 N5 O4 -","- C49 H49 N5 O4 -","- C196 H196 N20 O16 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0664","0.0602","","","0.1599","0.1645","","","","","","1.069","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245260","13.3133","0.0002","12.1407","0.0001","21.2595","0.0003","90","","106.205","0.001","90","","3299.71","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N2 O -","- C22 H19 N2 O -","- C176 H152 N16 O8 -","8","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0375","0.0364","","","0.0972","0.0985","","","","","","1.065","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245261","9.1627","0.0001","21.5531","0.0003","29.7885","0.0004","90","","92.713","0.001","90","","5876.18","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 N3 O4 -","- C35 H37 N3 O4 -","- C280 H296 N24 O32 -","8","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0572","0.0484","","","0.1339","0.1407","","","","","","1.047","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245262","9.1302","0.0002","13.9867","0.0003","16.3192","0.0004","92.098","0.002","98.572","0.002","96.26","0.002","2045.45","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N6 O4 -","- C48 H48 N6 O4 -","- C96 H96 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0516","0.0489","","","0.1398","0.1422","","","","","","1.095","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245263","9.092","0.0001","12.2035","0.0002","17.7698","0.0003","91.628","0.001","98.436","0.001","103.488","0.001","1892.49","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C88 H92 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0507","0.0472","","","0.1326","0.1358","","","","","","1.083","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245264","9.2111","0.0003","11.8322","0.0004","14.3846","0.0004","91.725","0.002","104.91","0.002","102.633","0.002","1472.07","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","1","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0693","0.0627","","","0.1888","0.197","","","","","","1.061","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245265","14.2245","0.0002","8.7296","0.0002","20.7083","0.0004","90","","100.815","0.002","90","","2525.76","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C128 H120 N8 O8 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0724","0.0578","","","0.1563","0.1678","","","","","","1.055","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245266","18.669","0.0001","8.6554","0.0001","24.232","0.0002","90","","106.744","0.001","90","","3749.58","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H94 N8 O10 -","- C88 H94 N8 O10 -","- C176 H188 N16 O20 -","2","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.038","","","0.1007","0.1025","","","","","","1.041","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245267","12.1268","0.0002","13.029","0.0002","18.1703","0.0002","84.497","0.001","76.103","0.001","89.967","0.001","2773.28","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C68 H68 N8 O4 -","- C68 H68 N8 O4 -","- C136 H136 N16 O8 -","2","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","","1.54184","CuKα","","0.0525","0.0485","","","0.1436","0.1479","","","","","","1.092","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245268","7.3602","0.0003","6.965","0.0003","50.466","0.002","90","","90","","90","","2587.08","0.18","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.9091 H13.8182 N0.727273 O0.727273 -","- C120 H152 N8 O8 -","11","1.375","","Yamada, Takahiro; Hashimoto, Yoshimitsu; Tanaka, Kosaku; Morita, Nobuyoshi; Tamura, Osamu","Cationic palladium(ii)-catalyzed synthesis of substituted pyridines from α,β-unsaturated oxime ethers","RSC Advances","2022","12","33","21548","21557","10.1039/D2RA03875G","","x-ray","1.54184","CuKα","","0.048","0.0449","","","0.1226","0.1248","","","","","","1.096","","","","has coordinates","277076","2022-08-05","01:05:09",""
"7245269","17.3111","0.0006","17.9541","0.001","30.2138","0.0014","90","","96.76","0.004","90","","9325.3","0.8","95","2","95","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H33 Cl4 Er3 O25.47 -","- C24 H33 Cl4 Er3 O25.47 -","- C192 H264 Cl32 Er24 O203.76 -","8","1","","Gebrezgiabher, Mamo; Schlittenhardt, Sören; Rajnák, Cyril; Kuchár, Juraj; Sergawie, Assefa; Černák, Juraj; Ruben, Mario; Thomas, Madhu; Boča, Roman","Triangulo-{ErIII3} complex showing field supported slow magnetic relaxation","RSC Advances","2022","12","33","21674","21680","10.1039/D2RA04328A","","","0.71073","MoKα","","0.0388","0.0302","","","0.068","0.0713","","","","","","1.076","","","","has coordinates,has disorder","277077","2022-08-05","01:05:44",""
"7245270","6.9489","0.0007","9.7256","0.001","23.026","0.002","90","","90","","90","","1556.1","0.3","90","","90","","","","","","","","","4","P 2 2 21","P 2c 2","17","","(S)-Nicotinium Orotate Hemihydrate","","- C30 H38 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","0.5","","Angevine, Devin J.; Camacho, Kristine Joy; Rzayev, Javid; Benedict, Jason B.","Transforming liquid nicotine into a stable solid through crystallization with orotic acid","CrystEngComm","2022","","","","","10.1039/D2CE00764A","","","0.71073","MoKα","","0.053","0.0497","","","0.1075","0.1088","","","","","","1.157","","","","has coordinates","277084","2022-08-05","22:29:17",""
"7245271","14.6248","0.0003","11.859","0.0002","11.3672","0.0002","90","","107.271","0.001","90","","1882.58","0.06","193","2","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Guan, Ting; Guo, Jing-Yu; Zhang, Qing-Hong; Xu, Xin-Wen; Yu, Xiao-Yu; Zhang, Yu; Zhao, Kai","Photoredox-catalyzed regio- & stereoselective C(sp2)–H cyanoalkylation of enamides with cycloketone oximes via selective C–C bond cleavage/radical addition cascade","Green Chemistry","2022","24","17","6524","6530","10.1039/D2GC01978G","","","1.34139","GaKα","","0.0508","0.0411","","","0.1011","0.1089","","","","","","1.048","","","","has coordinates","278415","2022-10-07","00:54:49",""
"7245272","20.773","0.004","12.132","0.002","22.87","0.005","90","","114.95","0.03","90","","5226","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Co N5 O17 -","- C56 H61 Co N5 O17 -","- C224 H244 Co4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.0883","0.0734","","","0.2278","0.2406","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:41",""
"7245273","20.469","0.002","12.0889","0.0013","22.945","0.002","90","","114.455","0.001","90","","5168.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cu N5 O17 -","- C56 H61 Cu N5 O17 -","- C224 H244 Cu4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.0905","0.0671","","","0.1834","0.2047","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:48",""
"7245274","20.963","0.004","12.279","0.003","22.875","0.005","90","","115.26","0.03","90","","5325","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 O20 Zn -","- C52 H53 N5 O20 Zn -","- C208 H212 N20 O80 Zn4 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.1566","0.0917","","","0.2832","0.3215","","","","","","0.963","","","","has coordinates,has disorder","277149","2022-08-06","22:27:49",""
"7245275","20.952","0.004","12.383","0.003","23.012","0.005","90","","115.3","0.03","90","","5398","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Co N5 O21 -","- C54 H57 Co N5 O21 -","- C216 H228 Co4 N20 O84 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1446","0.1024","","","0.3113","0.3424","","","","","","1.16","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245276","20.698","0.004","12.339","0.003","22.916","0.005","90","","114.74","0.03","90","","5315","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cu N5 O20 -","- C52 H53 Cu N5 O20 -","- C208 H212 Cu4 N20 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1466","0.0789","","","0.2355","0.2694","","","","","","0.921","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245277","20.708","0.004","12.244","0.002","22.873","0.004","90","","115.467","0.002","90","","5235.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 Ni O20 -","- C52 H53 N5 Ni O20 -","- C208 H212 N20 Ni4 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.1786","0.0926","","","0.2338","0.3093","","","","","","1.025","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245278","10.6469","0.0003","15.8266","0.0004","28.9384","0.0007","90","","90","","90","","4876.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S -","- C28 H30 N2 O3 S -","- C224 H240 N16 O24 S8 -","8","2","","SCHLIMPEN, Fabian; AST, Tun; Benneteau, Valerie; Pale, Patrick; Chassaing, Stefan","From A3/KA2 to AYA/KYA Multicomponent Coupling Reactions with Terminal Ynamides as Alkyne Surrogates - A Direct, Green Route to γ-Amino-Ynamides","Green Chemistry","2022","","","","","10.1039/D2GC00966H","","","1.54178","CuKα","","0.0356","0.0327","","","0.0886","0.0907","","","","","","1.043","","","","has coordinates","277161","2022-08-09","00:15:32",""
"7245279","8.0179","0.0003","11.4272","0.0004","14.0709","0.0004","106.52","0.0019","99.721","0.002","90.059","0.002","1216.6","0.07","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F6 N2 O6 Zn -","- C24 H15 F6 N2 O6 Zn -","- C48 H30 F12 N4 O12 Zn2 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1171","0.055","","","0.1145","0.1372","","","","","","1.033","","","","has coordinates,has disorder","277175","2022-08-09","22:26:40",""
"7245280","10.2175","0.0007","10.8608","0.0008","12.9436","0.0009","100.942","0.004","93.868","0.003","93.873","0.004","1402.29","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C56 H48 Co2 N8 O18 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.04","0.0326","","","0.0881","0.0922","","","","","","1.051","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245281","29.4273","0.0018","7.7225","0.0005","23.3183","0.0015","90","","102.639","0.002","90","","5170.7","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H16 Co F6 N2 O5.25 -","- C24.25 H16 Co F6 N2 O5.25 -","- C194 H128 Co8 F48 N16 O42 -","8","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1036","0.0535","","","0.0954","0.1104","","","","","","1.001","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245282","10.4975","0.0002","13.756","0.0002","19.0781","0.0003","90","","92.3309","0.001","90","","2752.67","0.08","194","2","194","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O8 Zn -","- C29 H26 N4 O8 Zn -","- C116 H104 N16 O32 Zn4 -","4","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.064","0.0435","","","0.1044","0.1135","","","","","","1.032","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245283","7.8859","0.0002","11.7193","0.0002","13.9414","0.0003","106.699","0.0012","99.4523","0.0012","90.4589","0.0008","1215.25","0.05","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 Co F6 N2 O5 -","- C24 H15 Co F6 N2 O5 -","- C48 H30 Co2 F12 N4 O10 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0346","0.0277","","","0.0645","0.0678","","","","","","1.059","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245284","13.6794","0.0009","14.2186","0.0014","19.2169","0.0009","103.136","0.006","103.532","0.004","92.497","0.005","3520.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Co2 F12 N8 O21 -","- C62 H62 Co2 F12 N8 O21 -","- C124 H124 Co4 F24 N16 O42 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0673","0.0478","","","0.1268","0.138","","","","","","1.034","","","","has coordinates,has disorder","277175","2022-08-09","22:26:43",""
"7245285","20.26","0.003","20.26","0.003","10.904","0.002","90","","90","","120","","3876.1","1.1","293.1","","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 Co6 N24 O19 -","- C36 H24 Co6 N24 O19 -","- C108 H72 Co18 N72 O57 -","3","0.166667","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.0985","0.074","","","0.1484","0.1588","","","","","","1.227","","","","has coordinates","277176","2022-08-09","22:28:03",""
"7245286","13.702","0.003","13.702","0.003","11.139","0.002","90","","90","","90","","2091.3","0.7","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H27 Co4 N19 O17 -","- C24 H19 Co4 N19 O17 -","- C48 H38 Co8 N38 O34 -","2","0.25","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.1812","0.0987","","","0.1503","0.1816","","","","","","1.163","","","","has coordinates,has disorder","277176","2022-08-09","22:28:04",""
"7245287","15.047","0.004","8.2362","0.0019","26.661","0.006","90","","104.502","0.003","90","","3198.8","1.3","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 O12 -","- C74 H70 O12 -","- C148 H140 O24 -","2","0.5","","Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene","RSC Advances","2022","12","34","22060","22063","10.1039/D2RA03773D","","x-ray","0.71073","MoKα","","0.0899","0.0627","","","0.1826","0.2054","","","","","","1.059","","","","has coordinates,has disorder","277182","2022-08-10","01:04:46",""
"7245288","13.879","0.005","12.427","0.004","19.765","0.007","90","","93.893","0.005","90","","3401","2","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 O12 -","- C82 H80 O12 -","- C164 H160 O24 -","2","0.5","","Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene","RSC Advances","2022","12","34","22060","22063","10.1039/D2RA03773D","","","0.71073","MoKα","","0.163","0.0691","","","0.1704","0.2268","","","","","","1.008","","","","has coordinates","277182","2022-08-10","01:04:46",""
"7245289","16.313","0.002","6.9761","0.001","7.9052","0.0009","90","","90","","90","","899.6","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","C6H12N2O4P","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","1","","Wang, Duanliang; Sun, Defu; Zhang, Shoubao; Leng, Jiancai; Hou, Ruoxian; Chen, Hanzhang; Sun, Jie; Dang, Yangyang; Shen, Chuan-Ying","A novel 2-(Aminomethyl)pyridineH2PO4 crystal with second-order nonlinear optical performance","CrystEngComm","2022","","","","","10.1039/D2CE00731B","","","0.71073","MoKα","","0.0604","0.0371","","","0.0729","0.0818","","","","","","1.048","","","","has coordinates","277196","2022-08-10","22:38:06",""
"7245290","9.0543","0.0002","13.035","0.0002","34.3367","0.0006","90","","90","","90","","4052.51","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl F5 N2 O1.5 -","- C21 H17 Cl F5 N2 O1.5 -","- C168 H136 Cl8 F40 N16 O12 -","8","2","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0643","0.0524","","","0.1186","0.1323","","","","","","1.117","","","","has coordinates","277197","2022-08-10","22:38:56",""
"7245291","13.1986","0.0003","9.3685","0.0003","32.0246","0.0009","90","","90","","90","","3959.88","0.19","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl F5 N2 O -","- C21 H16 Cl F5 N2 O -","- C168 H128 Cl8 F40 N16 O8 -","8","1","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0392","0.0351","","","0.0906","0.0934","","","","","","1.045","","","","has coordinates","277197","2022-08-10","22:38:57",""
"7245292","8.1315","0.0006","13.22","0.001","14.3234","0.0009","84.858","0.003","89.157","0.003","89.327","0.003","1533.3","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C64 H84 N4 O24 -","4","2","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1167","0.0558","","","0.1171","0.1409","","","","","","1.002","","","","has coordinates","277208","2022-08-11","22:30:35",""
"7245293","7.8932","0.001","26.076","0.003","8.2119","0.001","90","","107.482","0.014","90","","1612.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0959","0.0691","","","0.1751","0.2043","","","","","","1.082","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245294","8.2376","0.0005","18.954","0.0012","19.6823","0.0012","90","","90","","90","","3073.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0718","0.0428","","","0.0953","0.1095","","","","","","1.012","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245295","9.4849","0.001","8.8446","0.0009","19.102","0.002","90","","95.807","0.004","90","","1594.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1071","0.053","","","0.1082","0.1296","","","","","","1.032","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245296","7.7282","0.0007","9.9974","0.001","19.2246","0.0017","83.079","0.004","81.948","0.003","89.975","0.004","1459.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C64 H68 N4 O28 -","4","4","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0861","0.0573","","","0.111","0.1242","","","","","","1.022","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245297","8.5398","0.0003","11.8631","0.0004","17.8926","0.0007","90","","90","","90","","1812.67","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 K O6 -","- C12 H29 K O6 -","- C48 H116 K4 O24 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0417","0.0338","","","0.059","0.0613","","","","","","1.054","","","","has coordinates","277221","2022-08-12","22:40:37",""
"7245298","24.9888","0.001","6.3547","0.0003","9.8148","0.0004","90","","90","","90","","1558.55","0.12","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H23 K O8 -","- C12 H23 K O8 -","- C48 H92 K4 O32 -","4","0.5","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0596","0.0551","","","0.1355","0.1377","","","","","","1.166","","","","has coordinates","277221","2022-08-12","22:40:38",""
"7245299","15.4395","0.0012","10.8481","0.0009","10.6569","0.0008","90","","99.627","0.003","90","","1759.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 K O8 -","- C14 H27 K O8 -","- C56 H108 K4 O32 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.068","0.047","","","0.0873","0.094","","","","","","1.09","","","","has coordinates,has disorder","277221","2022-08-12","22:40:38",""
"7245300","8.016","0.003","15.184","0.007","21.635","0.009","90","","90","","90","","2633.3","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0448","0.0348","","","0.072","0.0764","","","","","","1.123","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245301","7.903","0.002","14.943","0.004","21.449","0.006","90","","90","","90","","2533","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0773","0.0545","","","0.0846","0.0933","","","","","","1.102","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245302","6.8068","0.0001","7.989","0.0002","25.3855","0.0004","90","","96.693","0.002","90","","1371.04","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O5 S -","- C12 H12 N4 O5 S -","- C48 H48 N16 O20 S4 -","4","1","","Hao, Xinghui; Li, Jinhui; Wang, Chenguang; Zhao, Xinghua; He, Xin; Sun, Changquan Calvin","Profoundly improved photostability of dimetronidazole by cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE00597B","","x-ray","1.54184","CuKα","","0.0443","0.0425","","","0.11","0.1113","","","","","","1.051","","","","has coordinates","277224","2022-08-12","22:41:40",""
"7245303","4.2851","0.0003","4.2851","0.0003","11.3128","0.0012","90","","90","","120","","179.9","0.03","150","","150","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Zhao, Xuewen; Xu, Xuequan; Zhao, Rongzheng; Gu, Mengyue; Yang, Na; Huang, Lei; Fu, Chengcheng; Cheng, Yonghong; Zhang, Jinying","A hetero-phase growth method to control the crystal growth of β-antimony single crystals with high quality and large sizes","CrystEngComm","2022","","","","","10.1039/D2CE00743F","","","0.71073","MoKα","","0.0525","0.0525","","","0.1186","0.1186","","","","","","1.093","","","","has coordinates","277225","2022-08-12","22:42:01",""
"7245304","9.9628","0.0002","10.1107","0.0002","12.9334","0.0002","71.458","0.002","73.161","0.002","63.999","0.002","1092.75","0.04","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H24 Se -","- C29 H24 Se -","- C58 H48 Se2 -","2","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0809","0.0814","","","","","","1.0273","","","","has coordinates","278430","2022-10-07","00:57:09",""
"7245305","15.3921","0.0002","10.1833","0.0001","13.1358","0.0002","90","","107.775","0.001","90","","1960.65","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NM-730","","- C26 H17 Cl Se -","- C26 H17 Cl Se -","- C104 H68 Cl4 Se4 -","4","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0317","0.0299","","","0.0869","0.0882","","","","","","1.149","","","","has coordinates","278430","2022-10-07","00:57:09",""
"7245306","11.2182","0.0003","10.3531","0.0003","17.3831","0.0005","90","","100.258","0.003","90","","1986.66","0.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","NM-731","","- C27 H20 Se -","- C27 H20 Se -","- C108 H80 Se4 -","4","1","","Mukherjee, Nilanjana; Satyanarayana, Appanapalli N. V.; Singh, Priti; Dixit, Mudit; Chatterjee, Tanmay","Recyclable iodine-catalyzed radical selenylative annulation of 2-alkynyl biaryls with diselenides in water: a green approach to selanyl polycyclic aromatic hydrocarbons and polycyclic heteroaromatics","Green Chemistry","2022","24","18","7029","7038","10.1039/D2GC02256G","","x-ray","1.54184","CuKα","","0.0475","0.0435","","","0.1215","0.1256","","","","","","1.0185","","","","has coordinates","278430","2022-10-07","00:57:10",""
"7245307","12.839","0.0012","9.1349","0.0011","13.4055","0.0016","90","","99.269","0.011","90","","1551.7","0.3","249.97","0.1","249.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N2 O S -","- C17 H11 Br N2 O S -","- C68 H44 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Cheng, Zhenfeng; Xiong, Xing; Xiong, Biao; Zhao, Yu; Xu, Hua-Dong; Zhang, Yanan; Qiu, Xiaodong; Zeng, Xiaobao","Electrochemical oxidative regio- and stereo-selective thio(seleno)cyanation of enamides and mechanistic insights","Green Chemistry","2022","24","17","6556","6561","10.1039/D2GC01932A","","x-ray","0.71073","MoKα","","0.0876","0.0524","","","0.1072","0.126","","","","","","0.991","","","","has coordinates","278416","2022-10-07","00:54:56",""
"7245308","16.7917","0.0008","15.9499","0.0008","24.5755","0.0013","90","","90","","90","","6582","0.6","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","SQNU-22","","- C68 H94 F2 Mg5 N10 O24 -","- C48 H52 F2 Mg5 N4 O20 -","- C192 H208 F8 Mg20 N16 O80 -","4","0.25","","Zhang, Jian-Wei; Li, Xi; Yu, Rui-Ying; Zhang, Jinping; Chen, Ya; Li, Jieqiong","An unusual F-bridged dual-trinuclear Mg-organic framework as luminescent thermometer for highly efficient low-temperature detection","CrystEngComm","2022","","","","","10.1039/D2CE01008A","","","0.71073","MoKα","","0.0725","0.0522","","","0.1372","0.1471","","","","","","1.053","","","","has coordinates,has disorder","277240","2022-08-13","22:28:33",""
"7245309","10.9467","0.0011","11.045","0.0014","11.7816","0.0013","90","","112.707","0.004","90","","1314.1","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C60 H72 O14 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0555","0.0412","","","0.0852","0.0951","","","","","","1.049","","","","has coordinates","277241","2022-08-13","22:29:15",""
"7245310","10.8459","0.0007","11.2095","0.0007","11.9727","0.0008","90","","114.141","0.002","90","","1328.3","0.15","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0539","0.0411","","","0.0873","0.0959","","","","","","1.066","","","","has coordinates","277241","2022-08-13","22:29:16",""
"7245311","7.9741","0.0007","17.3556","0.0014","18.7197","0.0016","90","","91.808","0.003","90","","2589.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Sm -","- C29 H19 N5 O7 Sm -","- C116 H76 N20 O28 Sm4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0456","0.0308","","","0.0693","0.074","","","","","","1.036","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245312","7.9218","0.0003","17.3785","0.0005","18.616","0.0006","90","","92.595","0.001","90","","2560.22","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Dy N5 O7 -","- C29 H19 Dy N5 O7 -","- C116 H76 Dy4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0475","0.0305","","","0.0637","0.0685","","","","","","1.025","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245313","8.0169","0.0002","17.3406","0.0005","18.8595","0.0006","90","","91.347","0.001","90","","2621.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Ce N5 O7 -","- C29 H19 Ce N5 O7 -","- C116 H76 Ce4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0625","0.0365","","","0.0757","0.0829","","","","","","1.035","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245314","7.9574","0.0004","17.3656","0.0009","18.6899","0.0009","90","","92.077","0.002","90","","2581","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Eu N5 O7 -","- C29 H19 Eu N5 O7 -","- C116 H76 Eu4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0568","0.0341","","","0.0714","0.0777","","","","","","1.045","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245315","7.9316","0.0008","17.3837","0.0018","18.6295","0.0019","90","","92.512","0.003","90","","2566.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Tb -","- C29 H19 N5 O7 Tb -","- C116 H76 N20 O28 Tb4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0748","0.04","","","0.0696","0.078","","","","","","1.028","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245316","8.0812","0.0002","10.1708","0.0002","13.7159","0.0003","90","","92.804","0.002","90","","1125.99","0.04","149.8","0.7","149.8","0.7","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0316","0.03","","","0.0743","0.0762","","","","","","1.05","","","","has coordinates","277262","2022-08-16","22:28:26",""
"7245317","7.0619","0.0006","10.1071","0.001","12.5228","0.0011","93.828","0.008","101.369","0.007","108.957","0.008","820.47","0.14","294.5","0.5","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H12 Cl0 F2 N2 O0 S4 -","- C15 H12 F2 N2 S4 -","- C30 H24 F4 N4 S8 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0912","0.0678","","","0.1636","0.1856","","","","","","1.035","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245318","31.2707","0.0011","9.2527","0.0004","10.954","0.0004","90","","90","","90","","3169.4","0.2","297","1","297","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 S12 -","- C24 H28 S12 -","- C96 H112 S48 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0568","0.0441","","","0.1032","0.1136","","","","","","1.027","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245319","6.177","0.0003","10.9534","0.0006","11.7837","0.0008","90","","96.154","0.005","90","","792.68","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0392","0.0357","","","0.0942","0.0973","","","","","","1.02","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245320","6.1216","0.0003","10.8073","0.0005","11.7028","0.0006","90","","95.501","0.004","90","","770.67","0.07","150.01","0.1","150.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0394","0.0362","","","0.0946","0.0982","","","","","","0.909","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245321","13.7056","0.0002","13.7056","0.0002","23.9209","0.0005","90","","90","","90","","4493.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0579","0.0486","","","0.1004","0.1045","","","","","","1.153","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245322","6.1944","0.0003","11.0828","0.0005","16.564","0.0009","90","","92.272","0.004","90","","1136.25","0.1","294.73","0.1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 S4 -","- C9 H12 S4 -","- C36 H48 S16 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0786","0.0693","","","0.1612","0.1696","","","","","","1.065","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245323","8.2148","0.0004","10.2029","0.0004","13.8985","0.0008","90","","93.622","0.005","90","","1162.57","0.1","293","0.1","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0555","0.0441","","","0.1121","0.1166","","","","","","1.07","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245324","8.1638","0.0004","15.558","0.003","16.203","0.003","68.67","0.01","88.608","0.008","87.047","0.008","1914.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H14 F6 P S6 -","- C12 H14 F6 P S6 -","- C48 H56 F24 P4 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","0.71073","MoKα","","0.0884","0.0491","","","0.102","0.1157","","","","","","1.016","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245325","7.6595","0.0001","14.5463","0.0002","22.7605","0.0003","95.079","0.001","99.545","0.001","90.995","0.001","2489.66","0.06","149.9","0.5","149.9","0.5","","","","","","","","5","P 1","P 1","1","","","","- C24 H14 F4 N4 S6 -","- C24 H14 F4 N4 S6 -","- C96 H56 F16 N16 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0477","0.046","","","0.1242","0.1285","","","","","","1.039","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245326","6.3369","0.0005","6.341","0.0005","6.5675","0.0006","85.841","0.007","73.143","0.007","89.946","0.006","251.84","0.04","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","x-ray","0.71073","MoKα","","0.0406","0.0393","","","0.1027","0.104","","","","","","1.075","","","","has coordinates","277263","2022-08-16","22:29:33",""
"7245327","6.3867","0.0008","12.7855","0.0016","6.3889","0.0008","90","","90.165","0.001","90","","521.7","0.11","297","","297","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0305","0.0248","","","0.0524","0.0551","","","","","","1.046","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245328","9.0039","0.0003","8.9895","0.0003","12.7798","0.0005","90","","100.406","0.003","90","","1017.39","0.06","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","4","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0303","0.0295","","","0.0656","0.0661","","","","","","1.032","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245329","8.2932","0.001","8.8298","0.0011","12.4718","0.0014","95.863","0.01","90.752","0.01","116.824","0.012","808.94","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C34 H32 Br2 N2 O6 S2 -","2","1","","Wu, Ying-Ai; Wang, Rui-An; Jiang, Shu-Yun; Jiang, Tai-Bai; Song, Jun-Rong; Shi, Jun; Wu, Wei; Pan, Wei-Dong; Ren, Hai","Water enables the tunable electrochemical synthesis of heterocyclic 3a- or 5a-bromoindolines","Green Chemistry","2022","24","17","6720","6726","10.1039/D2GC02086F","","x-ray","0.71073","MoKα","","0.0813","0.0572","","","0.1393","0.1524","","","","","","1.074","","","","has coordinates","278417","2022-10-07","00:55:02",""
"7245330","8.2798","0.0009","26.236","0.003","10.1171","0.0011","90","","106.733","0.0016","90","","2104.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 Fe N2 O4 -","- C16 H24 F5.9988 Fe N2 O4 -","- C64 H96 F23.9952 Fe4 N8 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0605","0.0416","","","0.0866","0.0931","","","","","","1.075","","","","has coordinates,has disorder","277273","2022-08-17","01:04:40",""
"7245331","8.323","0.019","20.79","0.05","13.03","0.03","90","","90.27","0.04","90","","2255","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 N2 O4 Zn -","- C16 H24 F6 N2 O4 Zn -","- C64 H96 F24 N8 O16 Zn4 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0739","0.0538","","","0.1364","0.1459","","","","","","1.09","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245332","9.7772","0.001","15.3822","0.0016","14.6761","0.0015","90","","108.441","0.0016","90","","2093.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu F6 N2 O4 -","- C16 H24 Cu F6.003 N2 O4 -","- C64 H96 Cu4 F24.012 N8 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0448","0.0291","","","0.0696","0.0782","","","","","","1.053","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245333","8.1121","0.0005","20.0344","0.0013","12.6691","0.0008","90","","91.0753","0.0015","90","","2058.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 N2 Ni O4 -","- C16.0001 H24 F6.0003 N2 Ni O4 -","- C64.0004 H96 F24.0012 N8 Ni4 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0286","0.0245","","","0.0642","0.0667","","","","","","1.046","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245334","9.7672","0.0003","12.4444","0.0004","12.5674","0.0003","90","","90","","90","","1527.53","0.08","100","2","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6-(4,4-dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C13 H17 B F N O3 Si -","- C13 H17 B F N O3 Si -","- C52 H68 B4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0265","0.0252","","","0.0667","0.0677","","","","","","1.037","","","","has coordinates","277274","2022-08-17","01:07:00",""
"7245335","12.3262","0.0002","10.8908","0.0002","15.6822","0.0003","90","","102.68","0.002","90","","2053.87","0.07","100","2","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","6-(3,4,4-Trimethyl-2-oxazolinium-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole trifluoromethanesulfonate","","- C15 H20 B F4 N O6 S Si -","- C15 H20 B F4 N O6 S Si -","- C60 H80 B4 F16 N4 O24 S4 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.056","0.0548","","","0.1482","0.1496","","","","","","1.06","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245336","7.332","0.0002","10.4076","0.0002","14.5602","0.0004","100.665","0.002","100.149","0.002","91.918","0.002","1072.28","0.05","100","2","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","6-[2-methyl-2-(N-methylpyrazinamido)propoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C19 H24 B F N3 O5.5 Si -","- C19 H24 B F N3 O5.5 Si -","- C38 H48 B2 F2 N6 O11 Si2 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0582","0.0525","","","0.1421","0.149","","","","","","1.052","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245337","15.9031","0.0003","6.9799","0.0001","20.0486","0.0004","90","","99.036","0.002","90","","2197.82","0.07","100","2","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","6-[2-methyl-2-(N-methylphenylsufonamido)propoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C20 H25 B F N O6 S Si -","- C20 H25 B F N O6 S Si -","- C80 H100 B4 F4 N4 O24 S4 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0384","0.0334","","","0.0875","0.0927","","","","","","1.043","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245338","9.4868","0.0003","8.2232","0.0002","18.9873","0.0004","90","","98.992","0.002","90","","1463.03","0.07","100","2","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","8-fluoro-9-(hydroxydimethylsilyl)-3,3-dimethyl-2,3,5-trihydro-10l4-benzo[3,4][1,2]azaborolo[2,1-b][1,3,2]oxazaborol-10-ol","","- C13 H21 B F N O3 Si -","- C13 H21 B F N O3 Si -","- C52 H84 B4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0422","0.0391","","","0.1079","0.1112","","","","","","1.035","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245339","11.5789","0.0003","9.7201","0.0003","17.4568","0.0005","90","","91.799","0.003","90","","1963.76","0.1","100","2","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","10-(tert-butyl)-7-fluoro-3,3,8,8-tetramethyl-2,3-dihydro-4H,8H-1,9,11-trioxa-3a-aza-8-sila-10,11a,l4-diborabenzo[ij]cyclopenta[c]azulene","","- C17 H28 B2 F N O3 Si -","- C17 H28 B2 F N O3 Si -","- C68 H112 B8 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0422","0.0358","","","0.0899","0.095","","","","","","0.975","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245340","8.8063","0.0008","9.3428","0.0007","12.2512","0.0011","76.873","0.007","86.633","0.007","82.552","0.007","972.9","0.15","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","4-(4,4-Dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole trifluoromethanesulfonate","","- C14 H18 B F4 N O6 S Si -","- C14 H18 B F4 N O6 S Si -","- C28 H36 B2 F8 N2 O12 S2 Si2 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","0.71073","MoKα","","0.1043","0.0858","","","0.2664","0.2902","","","","","","1.057","","","","has coordinates","277274","2022-08-17","01:07:02",""
"7245341","11.7424","0.0003","11.9111","0.0002","12.6569","0.0003","90","","110.168","0.002","90","","1661.71","0.07","100","2","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","4-[2-Methyl-2-ammoniumpropoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole chloride","","- C13 H22 B Cl F N O3 Si -","- C13 H22 B Cl F N O3 Si -","- C52 H88 B4 Cl4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0401","0.0363","","","0.095","0.0995","","","","","","1.07","","","","has coordinates","277274","2022-08-17","01:07:02",""
"7245342","10.1514","0.0002","11.8762","0.0003","16.5964","0.0003","106.057","0.002","90.992","0.002","114.642","0.002","1727.43","0.07","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","5,12-Difluoro-2,9-bis((1-hydroxy-2-methylpropan-2-yl)iminio)-6,6,13,13-tetramethyl-2H,6H,9H,13H-1,7,8,14,15-pentaoxa-6,13-disila-7a,14a-dibora-7a,14a-methanocyclodeca[1,2,3-cd:6,7,8-cd]diindene-7a,14a-diuide","","- C29 H45 B2 F2 N2 O10 Si2 -","- C29 H45 B2 F2 N2 O10 Si2 -","- C58 H90 B4 F4 N4 O20 Si4 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0569","0.0545","","","0.1521","0.1546","","","","","","1.023","","","","has coordinates,has disorder","277274","2022-08-17","01:07:02",""
"7245343","10.0227","0.0003","10.0227","0.0003","9.8795","0.0004","90","","90","","120","","859.48","0.05","17.5","0.9","17.5","0.9","","","","","","","","5","P 31","P 31","144","NCLBA","N-chloro-N'-(p-fluorophenyl)-benzamidine","","- C13 H10 Cl F N2 -","- C13 H10 Cl F N2 -","- C39 H30 Cl3 F3 N6 -","3","1","","Destro, Riccardo; Barzaghi, Mario; Soave, Raffaella; Roversi, Pietro; Lo Presti, Leonardo","Accurate experimental characterization of the labile N–Cl bond in N-chloro-N'-(p-fluorophenyl)-benzamidine crystal at 17.5 K","CrystEngComm","2022","","","","","10.1039/D2CE00957A","","","0.71073","MoKα","","0.0159","0.0159","","","0.014","0.014","","","","","","0.9652","","","","has coordinates","277291","2022-08-17","22:39:07",""
"7245344","9.8648","0.0005","9.8648","0.0005","13.7921","0.0017","90","","90","","120","","1162.35","0.17","298.15","","298.15","","","","","","","","","5","R 3 :H","R 3","146","","[MDABCO]CsI3","","- C7 H16 Cs I3 N2 -","- C7 H16 Cs I3 N2 -","- C21 H48 Cs3 I9 N6 -","3","0.333333","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","","0.534","synchrotron","","0.0394","0.0393","","","0.1139","0.1141","","","","","","1.199","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245345","14.8238","0.0004","10.1333","0.0003","16.4441","0.0004","90","","90.577","0.002","90","","2470.01","0.12","290.3","0.2","290.3","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[MDABCO]NH4Cl3","","- C7 H20 Cl3 N3 -","- C7 H20 Cl3 N3 -","- C56 H160 Cl24 N24 -","8","2","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0523","0.0417","","","0.1027","0.1102","","","","","","1.041","","","","has coordinates,has disorder","277292","2022-08-17","22:39:50",""
"7245346","14.1838","0.001","9.9322","0.0006","9.6159","0.0006","90","","90","","90","","1354.65","0.15","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","[MDABCO]RbBr3","","- C7 H16 Br3 N2 Rb -","- C7 H16 Br3 N2 Rb -","- C28 H64 Br12 N8 Rb4 -","4","1","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0788","0.0817","","","","","","1.056","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245347","7.8039","0.0002","17.1774","0.0004","14.8916","0.0003","90","","91.57","0.002","90","","1995.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 B N2 S -","- C20 H33 B N2 S -","- C80 H132 B4 N8 S4 -","4","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.0532","0.0505","","","0.133","0.1347","","","","","","1.135","","","","has coordinates","278428","2022-10-07","00:56:47",""
"7245348","6.2427","0.0005","7.8871","0.0006","29.178","0.002","90","","90","","90","","1436.63","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 B N3 O -","- C15 H20 B N3 O -","- C60 H80 B4 N12 O4 -","4","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.065","0.0452","","","0.1025","0.1264","","","","","","1.096","","","","has coordinates","278428","2022-10-07","00:56:48",""
"7245349","9.0836","0.0006","9.1558","0.0008","11.0863","0.0008","114.228","0.008","106.84","0.006","93.503","0.006","787.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 B N2 O2 -","- C16 H21 B N2 O2 -","- C32 H42 B2 N4 O4 -","2","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.067","0.0514","","","0.1436","0.1538","","","","","","1.058","","","","has coordinates","278428","2022-10-07","00:56:48",""
"7245350","16.3755","0.0011","7.2951","0.0004","23.9248","0.0014","90","","103.152","0.007","90","","2783.1","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl2 N O S -","- C15 H9 Cl2 N O S -","- C120 H72 Cl16 N8 O8 S8 -","8","2","","Fu, Yuanyuan; Zhu, Shengzhen; Zhao, Xueyan; Huang, Shenlin","Photoredox-catalyzed coupling of acyl oxime acetates with thiophenols to give arylthioesters in water at room temperature","Green Chemistry","2022","24","18","6849","6853","10.1039/D2GC02438A","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.107","0.117","","","","","","1.035","","","","has coordinates","278431","2022-10-07","00:57:16",""
"7245351","7.6341","0.0004","7.7048","0.0004","9.5687","0.0004","95.38","0.002","108.445","0.002","110.266","0.002","487.61","0.04","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","1","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.022","0.0211","","","0.0494","0.0498","","","","","","1.057","","","","has coordinates","277301","2022-08-18","01:13:34",""
"7245352","10.1537","0.0014","13.52","0.0019","13.2892","0.0018","90","","100.416","0.002","90","","1794.3","0.4","168","2","168","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Cu F3 N2 O2 S -","- C14 H20 Cl Cu F3 N2 O2 S -","- C56 H80 Cl4 Cu4 F12 N8 O8 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0284","0.025","","","0.0689","0.0703","","","","","","1.061","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245353","27.42","0.07","27.513","0.018","10.435","0.007","90","","90","","90","","7872","2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H14 Cu F3 N3 O6 S -","- C18 H14 Cu F3 N3 O6 S -","- C288 H224 Cu16 F48 N48 O96 S16 -","16","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0444","0.0362","","","0.0819","0.0855","","","","","","1.041","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245354","16.633","0.003","9.9312","0.0018","16.773","0.003","90","","108.801","0.002","90","","2622.8","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cu F6 N2 O4 S2 -","- C22 H24 Cu F6 N2 O4 S2 -","- C88 H96 Cu4 F24 N8 O16 S8 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0355","0.0318","","","0.0908","0.0934","","","","","","1.116","","","","has coordinates,has disorder","277301","2022-08-18","01:13:37",""
"7245355","10.4518","0.0014","13.4241","0.0018","13.3035","0.0018","90","","96.356","0.002","90","","1855.1","0.4","168","2","168","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cu F3 N3 O5 S -","- C14 H20 Cu F3 N3 O5 S -","- C56 H80 Cu4 F12 N12 O20 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0349","0.0325","","","0.09","0.0918","","","","","","1.051","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245356","13.023","0.006","8.377","0.004","17.04","0.007","90","","106.899","0.013","90","","1778.7","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl Cu F3 N2 O2 S -","- C18 H12 Cl Cu F3 N2 O2 S -","- C72 H48 Cl4 Cu4 F12 N8 O8 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0261","0.0249","","","0.0618","0.0629","","","","","","1.04","","","","has coordinates,has disorder","277301","2022-08-18","01:13:37",""
"7245357","9.7633","0.0003","14.2131","0.0004","18.8859","0.0005","90","","98.257","0.002","90","","2593.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 F6 O9 P3 Pb S2 -","- C11 H27 F6 O9 P3 Pb S2 -","- C44 H108 F24 O36 P12 Pb4 S8 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","x-ray","0.71073","MoKα","","0.0293","0.0223","","","0.0432","0.0447","","","","","","1.026","","","","has coordinates","277311","2022-08-18","22:34:33",""
"7245358","24.5947","0.0004","24.5947","0.0004","7.8897","0.0001","90","","90","","120","","4133.08","0.11","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C12 H29.33 F6 O9 P3 S2 Sn -","- C11 H27 F6 O9 P3 S2 Sn -","- C66 H162 F36 O54 P18 S12 Sn6 -","6","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","","0.71073","MoKα","","0.0223","0.0193","","","0.0472","0.048","","","","","","1.043","","","","has coordinates,has disorder","277311","2022-08-18","22:34:34",""
"7245359","7.4815","0.0004","32.2385","0.0019","10.5446","0.0007","90","","106.562","0.002","90","","2437.8","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I6 N4 O2 S -","- C12 H14 I6 N4 O2 S -","- C48 H56 I24 N16 O8 S4 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0384","0.0311","","","0.0656","0.0675","","","","","","1.127","","","","has coordinates","277360","2022-08-23","22:33:30",""
"7245360","9.862","0.0002","6.3853","0.0002","25.0333","0.0005","90","","90","","90","","1576.39","0.07","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 I N5 S -","- C14 H12 I N5 S -","- C56 H48 I4 N20 S4 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0362","0.028","","","0.0529","0.0578","","","","","","1.061","","","","has coordinates","277360","2022-08-23","22:33:31",""
"7245361","10.789","0.002","12.598","0.003","15.026","0.003","107.107","0.009","95.518","0.008","111.229","0.008","1771.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0307","0.0275","","","0.0605","0.0613","","","","","","1.243","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245362","8.3663","0.0005","24.1622","0.0012","12.9374","0.0008","90","","106.602","0.002","90","","2506.2","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Bi2 I9 N8 O3 S2 -","- C24 H25 Bi2 I9 N8 O3 S2 -","- C48 H50 Bi4 I18 N16 O6 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0324","0.0299","","","0.0711","0.0718","","","","","","1.084","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245363","10.3658","0.0001","13.9906","0.0002","21.5956","0.0003","97.057","0.001","94.932","0.001","110.74","0.001","2878.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0634","0.0472","","","0.121","0.1303","","","","","","1.09","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245364","13.5105","0.0005","14.6827","0.0007","17.4311","0.0008","93.901","0.002","101.189","0.002","91.407","0.002","3381.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H45 I12 N27 -","- C46 H45 I12 N27 -","- C92 H90 I24 N54 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0343","0.0241","","","0.0506","0.0567","","","","","","1.08","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245365","25.1259","0.0013","7.4309","0.0004","21.0334","0.0009","90","","102.923","0.002","90","","3827.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 I10 N12 -","- C20 H16 I10 N12 -","- C80 H64 I40 N48 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0357","0.0263","","","0.0531","0.0587","","","","","","1.14","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245366","13.1812","0.0004","13.8011","0.0004","14.1644","0.0005","108.449","0.001","99.637","0.002","115.406","0.001","2065.08","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0408","0.032","","","0.0623","0.0683","","","","","","1.241","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245367","8.734","0.0004","14.0058","0.0006","16.2738","0.0008","109.15","0.002","90.654","0.002","96.535","0.002","1865.82","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 I8 N8 S2 -","- C26 H20 I8 N8 S2 -","- C52 H40 I16 N16 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0187","0.0161","","","0.0328","0.0341","","","","","","1.074","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245368","11.1882","0.0005","14.4203","0.0006","17.124","0.0008","109.244","0.002","91.431","0.002","97.814","0.002","2576.9","0.2","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0398","0.0308","","","0.0604","0.0659","","","","","","1.122","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245369","11.3588","0.0006","11.5129","0.0006","34.8748","0.0017","92.184","0.002","93.977","0.002","106.355","0.002","4357.7","0.4","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","1","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.061","0.0458","","","0.1029","0.1125","","","","","","1.015","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245370","8.0951","0.0004","12.8879","0.0007","16.9574","0.0009","78.7","0.002","89.492","0.002","77.193","0.002","1690.59","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0163","0.0139","","","0.0277","0.0286","","","","","","1.079","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245371","7.3464","0.0002","26.937","0.0004","24.3715","0.0005","90","","94.853","0.002","90","","4805.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 I15 N8 -","- C22 H21 I15 N8 -","- C88 H84 I60 N32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0341","0.026","","","0.0454","0.0477","","","","","","1.052","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245372","13.3176","0.0006","16.6001","0.0007","19.8556","0.0008","103.605","0.002","96.773","0.002","111.876","0.002","3855","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H34.57 Fe I20.29 N14.86 -","- C41.712 H34.568 Fe I20.2878 N14.856 -","- C83.424 H69.136 Fe2 I40.5756 N29.712 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0404","0.0342","","","0.0721","0.0771","","","","","","1.09","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245373","21.203","0.0012","11.4331","0.0005","40.625","0.002","90","","90.697","0.002","90","","9847.4","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Bi8 I28 N12 S2 -","- C32 H32 Bi8 I28 N12 S2 -","- C128 H128 Bi32 I112 N48 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0453","0.0317","","","0.0531","0.057","","","","","","1.058","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245374","7.7763","0.0006","25.918","0.002","17.0369","0.0013","90","","99.309","0.003","90","","3388.5","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I6 N8 S2 -","- C24 H18 I6 N8 S2 -","- C96 H72 I24 N32 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0253","0.0217","","","0.0505","0.0531","","","","","","1.111","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245375","14.9488","0.0011","10.702","0.0007","25.0852","0.0019","90","","106.469","0.003","90","","3848.5","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Bi6 I22 N8 O2 S2 -","- C26 H28 Bi6 I22 N8 O2 S2 -","- C52 H56 Bi12 I44 N16 O4 S4 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0299","0.021","","","0.0409","0.0427","","","","","","1.042","","","","has coordinates","277360","2022-08-23","22:33:33",""
"7245376","8.293","0.006","8.812","0.006","19.773","0.014","88.368","0.01","87.164","0.01","67.4","0.01","1332.3","1.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl N3 O3 -","- C27 H28 Cl N3 O3 -","- C54 H56 Cl2 N6 O6 -","2","1","","Zhang, Aijiang; Chen, Changjuan; Zuo, Chunshan; Xu, Xiaobo; Cai, Tao; Li, Xiaotao; Yuan, Ying; Yang, Huanhuan; Meng, Gege","Imidazolium-based ionic liquids containing multipoint hydrogen bond donors as bifunctional organocatalysts for efficient cooperative conversion of CO2 to cyclic carbonates","Green Chemistry","2022","24","18","7194","7207","10.1039/D2GC02517E","","","0.71073","MoKα","","0.1368","0.0938","","","0.2353","0.2639","","","","","","0.965","","","","has coordinates","278433","2022-10-07","00:57:28",""
"7245377","3.9858","0.0007","13.451","0.002","25.545","0.004","90","","90","","90","","1369.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","","Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao","A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives.","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02127G","","","0.71073","MoKα","","0.0578","0.0401","","","0.0752","0.0836","","","","","","1.028","","","","has coordinates","277365","2022-08-24","00:33:13",""
"7245378","3.8532","0.0007","14.632","0.003","24.278","0.005","90","","93.236","0.003","90","","1366.6","0.5","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","","Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao","A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives.","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02127G","","","0.71073","MoKα","","0.0679","0.0501","","","0.1077","0.1154","","","","","","1.109","","","","has coordinates","277365","2022-08-24","00:33:13",""
"7245379","34.073","0.006","25.957","0.004","36.353","0.006","90","","101.438","0.003","90","","31513","9","190","1","190","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","cluster-1","","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C712 H552 Cl96 N88 O248 S24 Tb20 Zn24 -","4","0.5","","Zhu, Ting; Chen, Ya; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Luminescent Eleven-metal Zn(II)-Tb(III) Nanocluster for Rapid and Quantitative Time-gated Detection of Guanosine-5-monophoshpate and RNA","CrystEngComm","2022","","","","","10.1039/D2CE00753C","","","0.71073","MoKα","","0.1855","0.0952","","","0.2119","0.2314","","","","","","1.099","","","","has coordinates","277391","2022-08-24","22:29:33",""
"7245380","18.1857","0.0003","30.4174","0.0005","12.6976","0.0002","90","","90","","90","","7023.8","0.2","90","","90","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H108 Si10 -","- C58 H108 Si10 -","- C232 H432 Si40 -","4","0.5","","Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro","Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03068C","","","0.30241","synchrotron","","0.0794","0.0276","","","","0.0478","","","","","","3.178","","","","has coordinates","277400","2022-08-25","00:48:51",""
"7245381","18.2272","0.001","30.5096","0.0016","12.6275","0.0007","90","","90","","90","","7022.2","0.7","90","","90","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H108 Ge2 Si8 -","- C58 H108 Ge2 Si8 -","- C232 H432 Ge8 Si32 -","4","0.5","","Sugahara, Tomohiro; Hashizume, Daisuke; Tokitoh, Norihiro; Matsui, Hiroshi; Kishi, Ryohei; Nakano, Masayoshi; Sasamori, Takahiro","Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03068C","","","0.31979","Synchrotron","","0.0483","0.0162","","","","0.0345","","","","","","1.0041","","","","has coordinates","277400","2022-08-25","00:48:51",""
"7245382","9.9657","0.0016","14.3","0.002","9.0367","0.0014","90","","114.989","0.003","90","","1167.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Cheng, Zhenfeng; Gu, Qingyun; Xie, Yushan; Zhang, Yanan; Zeng, Xiaobao","BF3·Et2O-Mediated annulation of α-keto acids with aliphatic ketones for the synthesis of γ-hydroxy-butenolides and γ-alkylidene-butenolides","RSC Advances","2022","12","37","24237","24241","10.1039/D2RA04546J","","","0.71073","MoKα","","0.0625","0.0481","","","0.1217","0.1302","","","","","","1.049","","","","has coordinates","277407","2022-08-26","01:08:03",""
"7245383","9.978","0.0011","10.7417","0.0012","12.4901","0.0014","104.108","0.007","91.854","0.007","117.657","0.008","1133.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(1'R,2'S,3R)-2'-(benzo[d][1,3]dioxole-5-carbonyl)-1'-(3-fluorophenyl)-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","","- C28 H23 F N2 O4 -","- C28 H23 F N2 O4 -","- C56 H46 F2 N4 O8 -","2","1","","Nivetha, Narayanasamy; Martiz, Reshma Mary; Patil, Shashank M.; Ramu, Ramith; Sreenivasa, Swamy; Velmathi, Sivan","Benzodioxole grafted spirooxindole pyrrolidinyl derivatives: synthesis, characterization, molecular docking and anti-diabetic activity","RSC Advances","2022","12","37","24192","24207","10.1039/D2RA04452H","","","0.71075","MoKα","","0.0618","0.052","","","0.1387","0.1498","","","","","","1.037","","","","has coordinates","277408","2022-08-26","01:08:31",""
"7245384","10.1937","0.0001","13.0886","0.0002","13.2854","0.0002","75.103","0.001","80.798","0.001","71.79","0.001","1621.06","0.04","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N3 O7 U -","- C33 H43 N3 O7 U -","- C66 H86 N6 O14 U2 -","2","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.0349","0.0287","","","0.0656","0.0673","","","","","","1.029","","","","has coordinates","277420","2022-08-27","01:56:36",""
"7245385","16.3889","0.0014","18.8968","0.0009","10.3557","0.0006","90","","98.602","0.007","90","","3171.1","0.4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 Cl2 N2 O6 S U -","- C29 H40 Cl2 N2 O6 S U -","- C116 H160 Cl8 N8 O24 S4 U4 -","4","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.1147","0.0662","","","0.1532","0.1746","","","","","","0.976","","","","has coordinates,has disorder","277420","2022-08-27","01:56:37",""
"7245386","9.9547","0.0002","29.1269","0.0005","11.6812","0.0002","90","","106.798","0.002","90","","3242.44","0.11","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl2 N3 O6 U -","- C29 H41 Cl2 N3 O6 U -","- C116 H164 Cl8 N12 O24 U4 -","4","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.051","0.0333","","","0.059","0.0624","","","","","","1.068","","","","has coordinates,has disorder","277420","2022-08-27","01:56:37",""
"7245387","11.6287","0.0012","12.9682","0.0014","15.0674","0.0014","98.887","0.005","106.858","0.005","108.238","0.004","1988.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JHP-20210114","","","- C52 H24 F8 N6 -","- C52 H24 F8 N6 -","- C104 H48 F16 N12 -","2","1","","Mandal, Arkalekha; Nath, Bhaskar","Unravelling Supramolecular Features and Opto-electronic Properties of Binary Charge Transfer Cocrystal of Blue Fluorescent Di-carbazole and TFT","CrystEngComm","2022","","","","","10.1039/D2CE00555G","","","0.71073","MoKα","","0.0803","0.044","","","0.0956","0.1134","","","","","","1.02","","","","has coordinates","277446","2022-08-29","22:41:23",""
"7245388","19.8689","0.0016","31.487","0.003","21.8015","0.0016","90","","116.894","0.003","90","","12164.1","1.8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H108 Dy4 N34 O16 -","- C102 H108 Dy4 N34 O16 -","- C408 H432 Dy16 N136 O64 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.21","0.141","","","0.3459","0.4093","","","","","","1.05","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245389","35.329","0.003","16.683","0.0014","30.194","0.002","90","","104.51","0.003","90","","17229","2","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C164 H166 Dy2 N36 O12 -","- C164 H166 Dy2 N36 O12 -","- C656 H664 Dy8 N144 O48 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.1495","0.0778","","","0.1872","0.2455","","","","","","1.013","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245390","12.9911","0.0013","15.8935","0.0013","14.8351","0.0012","90","","103.145","0.004","90","","2982.8","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N7 O10 -","- C29 H25 Co N7 O10 -","- C116 H100 Co4 N28 O40 -","4","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0797","0.0531","","","0.1185","0.1341","","","","","","1.021","","","","has coordinates","277470","2022-08-30","22:39:58",""
"7245391","21.4068","0.0007","30.3931","0.0011","14.7301","0.0005","90","","103.833","0.002","90","","9305.7","0.6","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H19 Co2 N5 O8 -","- C27 H19 Co2 N5 O8 -","- C216 H152 Co16 N40 O64 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0683","0.0449","","","0.1336","0.1525","","","","","","1.054","","","","has coordinates,has disorder","277470","2022-08-30","22:39:59",""
"7245392","22.2002","0.0013","20.6167","0.0012","41.73","0.002","90","","100.495","0.002","90","","18780.1","1.8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H72 Co3 N18 O16 -","- C100 H72 Co3 N18 O16 -","- C800 H576 Co24 N144 O128 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.1056","0.0675","","","0.1551","0.1737","","","","","","1.032","","","","has coordinates","277470","2022-08-30","22:39:59",""
"7245393","6.9187","0.001","12.6378","0.0019","14.994","0.002","90","","96.541","0.005","90","","1302.5","0.3","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","Meng, Haifang; Xu, Huiying; Zhou, Zhi; Tang, Zhenhao; Li, Yidi; Zhou, Yu; Yi, Wei; Wu, Xiaowei","Recyclable rhodium-catalyzed C–H activation/[4 + 2] annulation with unconventional regioselectivity at ambient temperature: experimental development and mechanistic insight","Green Chemistry","2022","24","18","7012","7021","10.1039/D2GC02347D","","","0.71073","MoKα","","0.1481","0.0692","","","0.1402","0.1807","","","","","","1.008","","","","has coordinates","278434","2022-10-07","00:57:33",""
"7245394","12.0541","0.0015","12.5825","0.0013","13.7766","0.0016","79.249","0.005","81.329","0.006","83.791","0.006","2022.5","0.4","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 Cd3 N4 O14 -","- C68 H44 Cd3 N4 O12 -","- C68 H44 Cd3 N4 O12 -","1","0.5","","Song, Xing; Hu, Xiao-Li; Lin, Zi-Han; Ma, Chaohong; Su, Zhong-Min","Methyl Blue@CUST-580 composite as a simultaneous fluorescence-enhanced dual-emission platform for enhanced detection of antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00901C","","","0.71073","MoKα","","0.0491","0.0318","","","0.0734","0.0808","","","","","","1.029","","","","has coordinates","277510","2022-08-31","22:36:35",""
"7245395","17.3887","0.0009","7.8689","0.0004","23.0857","0.0009","90","","90","","90","","3158.8","0.3","296","0.4","296","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C120 H112 N32 O48 -","8","1","","Gupta, Poonam; Allu, Suryanarayana; Hazarika, Pragyan J.; Ray, Nisha R.; Nangia, Ashwini K.; Nath, Naba K.","Fast and reversible bidirectional photomechanical response displayed by a flexible polycrystalline aggregate of a hydrazone","CrystEngComm","2022","","","","","10.1039/D2CE00829G","","x-ray","0.71073","MoKα","","0.1571","0.057","","","0.1252","0.1698","","","","","","0.982","","","","has coordinates","277511","2022-08-31","22:37:08",""
"7245396","5.6822","0.0004","9.1526","0.0006","14.0751","0.001","108.654","0.002","100.575","0.002","91.47","0.002","678.97","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C30 H26 F2 O6 S2 -","2","1","","Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.","Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions","Green Chemistry","2022","24","18","7122","7130","10.1039/D2GC02254K","","","0.71073","MoKα","","0.1331","0.1031","","","0.233","0.2627","","","","","","1.224","","","","has coordinates","278432","2022-10-07","00:57:22",""
"7245397","11.5468","0.0016","10.2038","0.0011","22.824","0.003","90","","90","","90","","2689.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","","Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.","Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions","Green Chemistry","2022","24","18","7122","7130","10.1039/D2GC02254K","","","0.71073","MoKα","","0.1411","0.0621","","","0.1496","0.2039","","","","","","1.06","","","","has coordinates","278432","2022-10-07","00:57:22",""
"7245398","6.4061","0.0014","11.99","0.003","12.381","0.003","96.571","0.008","104.937","0.006","105.103","0.005","870.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Pereira, Juliana G.; Ravasco, João M. J. M.; Vale, João R.; Queda, Fausto; Gomes, Rafael F. A.","A direct Diels–Alder reaction of chitin derived 3-acetamido-5-acetylfuran","Green Chemistry","2022","24","18","7131","7136","10.1039/D2GC00253A","","x-ray","0.71073","MoKα","","0.165","0.0751","","","0.1548","0.1761","","","","","","1.042","","","","has coordinates","278435","2022-10-07","00:57:38",""
"7245399","7.23789","0.00013","12.2345","0.0002","13.6811","0.0003","72.142","0.005","82.584","0.006","80.322","0.006","1132.82","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N3 O9 S -","- C23 H19 N3 O9 S -","- C46 H38 N6 O18 S2 -","2","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.0462","0.0394","","","0.0929","0.0963","","","","","","1.036","","","","has coordinates","278427","2022-10-07","00:56:38",""
"7245400","15.7934","0.0003","6.97062","0.00013","20.9252","0.0004","90","","106.862","0.008","90","","2204.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O9 S -","- C23 H19 N3 O9 S -","- C92 H76 N12 O36 S4 -","4","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.0385","0.034","","","0.0828","0.0852","","","","","","1.04","","","","has coordinates","278427","2022-10-07","00:56:39",""
"7245401","11.5777","0.0002","23.2895","0.0004","17.4903","0.0003","90","","92.923","0.007","90","","4709.93","0.14","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H63 Fe3 Mn O6 -","- C54 H63 Fe3 Mn O6 -","- C216 H252 Fe12 Mn4 O24 -","4","1","","Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi","Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions","Green Chemistry","2022","24","18","7162","7170","10.1039/D2GC02205B","","","1.54187","CuKα","","0.1145","0.0785","","","0.1957","0.2166","","","","","","1.081","","","","has coordinates","278427","2022-10-07","00:56:39",""
"7245402","20.6474","0.0005","8.3478","0.0002","11.4696","0.0003","90","","102.688","0.001","90","","1928.63","0.08","169","2","169","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C84 H96 N16 O4 -","4","1","","Mao, Zhenjun; Zeng, Hao","Gold-catalyzed synthesis of oxazoles from alkynyl triazenes and dioxazoles","RSC Advances","2022","12","38","24857","24860","10.1039/D2RA04559A","","","0.71073","MoKα","","0.0462","0.04","","","0.0967","0.1014","","","","","","1.025","","","","has coordinates","277530","2022-09-01","01:28:11",""
"7245403","6.42709","0.00019","8.2638","0.0002","30.7804","0.0011","90","","90","","90","","1634.81","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Zhang, Bing-Wen; Jiang, Li; Li, Zhuang; Gao, Xue-Hui; Cao, Fei; Lu, Xin-hua; Shen, Wen-Bin; Zhang, Xue-Xia; Kong, Fan-Dong; Luo, Du-Qiang","Carotane sesquiterpenoids A–G from the desert endophytic fungus Fusarium sp. HM 166","RSC Advances","2022","12","38","24590","24595","10.1039/D2RA02762C","","","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1133","","","","","","1.038","","","","has coordinates","277531","2022-09-01","01:29:00",""
"7245404","39.0862","0.0013","9.1717","0.0003","18.6636","0.0006","90","","93.3599","0.0011","90","","6679.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N4 P2 Ru -","- C40 H34 N4 P2 Ru -","- C320 H272 N32 P16 Ru8 -","8","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.04","0.0297","","","0.063","0.0686","","","","","","1.058","","","","has coordinates","277532","2022-09-01","01:30:28",""
"7245405","11.5899","0.0003","11.8945","0.0003","12.2685","0.0003","87.7701","0.0008","77.0758","0.0006","84.2939","0.0007","1640.03","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N3 P2 Ru -","- C40 H37 N3 P2 Ru -","- C80 H74 N6 P4 Ru2 -","2","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0338","0.029","","","0.0613","0.0635","","","","","","1.095","","","","has coordinates","277532","2022-09-01","01:30:29",""
"7245406","39.1531","0.0012","9.1339","0.0002","18.7253","0.0005","90","","94.289","0.0009","90","","6677.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 N3 O P2 Ru -","- C40 H35 N3 O P2 Ru -","- C320 H280 N24 O8 P16 Ru8 -","8","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0462","0.0332","","","0.0685","0.0758","","","","","","1.06","","","","has coordinates,has disorder","277532","2022-09-01","01:30:29",""
"7245407","9.0659","0.0002","37.8048","0.001","10.7826","0.0003","90","","97.1681","0.0007","90","","3666.69","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl3 N3 P2 Ru -","- C40 H36 Cl3 N3 P2 Ru -","- C160 H144 Cl12 N12 P8 Ru4 -","4","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0574","0.0518","","","0.0938","0.0955","","","","","","1.231","","","","has coordinates,has disorder","277532","2022-09-01","01:30:30",""
"7245408","8.074","0.0002","31.7168","0.0005","16.219","0.0003","90","","100.863","0.002","90","","4078.96","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 K N10 O6 -","- C42 H34 K N10 O6 -","- C168 H136 K4 N40 O24 -","4","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0491","0.0353","","","0.0868","0.0916","","","","","","1.042","","","","has coordinates","277563","2022-09-01","22:32:17",""
"7245409","6.4442","0.0001","35.1206","0.0006","8.0868","0.0002","90","","99.84","0.002","90","","1803.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H32 K N8 O6 -","- C40 H32 K N8 O6 -","- C80 H64 K2 N16 O12 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0379","0.0332","","","0.0884","0.0908","","","","","","1.04","","","","has coordinates,has disorder","277563","2022-09-01","22:32:18",""
"7245410","7.8459","0.0003","14.5336","0.0004","17.8334","0.0004","96.62","0.001","93.222","0.002","101.779","0.002","1970.77","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 K N8 O6 -","- C44 H32 K N8 O6 -","- C88 H64 K2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1159","0.0842","","","0.1545","0.1698","","","","","","1.166","","","","has coordinates","277563","2022-09-01","22:32:18",""
"7245411","8.0104","0.0002","36.7367","0.0011","15.8116","0.0004","90","","98.291","0.003","90","","4604.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H92 K2 N24 O12 -","- C96 H92 K2 N24 O12 -","- C192 H184 K4 N48 O24 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1401","0.0688","","","0.1398","0.1632","","","","","","1.017","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245412","7.9514","0.0002","9.9644","0.0003","16.7703","0.0004","87.136","0.002","79.011","0.002","80.148","0.003","1284.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","1","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.04","0.035","","","0.0955","0.0979","","","","","","1.053","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245413","7.7825","0.0001","6.9335","0.0001","14.6928","0.0001","90","","94.847","0.001","90","","789.988","0.016","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","pyrene-TFBQ","","- C11 H5 F2 O -","- C11 H5 F2 O -","- C44 H20 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0299","0.0279","","","0.0807","0.0826","","","","","","1.083","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245414","6.6151","0.0001","6.9308","0.0001","18.4853","0.0002","90","","93.482","0.001","90","","845.95","0.02","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","chrysene-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0318","0.0299","","","0.0841","0.0859","","","","","","1.047","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245415","6.67424","0.00004","7.45602","0.00005","17.58647","0.00011","90","","91.9097","0.0006","90","","874.674","0.01","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","BA-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","2","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1004","0.1005","","","","","","1.066","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245416","6.9263","0.0002","14.175","0.0004","17.3722","0.0007","90","","96.986","0.003","90","","1692.95","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","triphenylene-TFBQ","","- C24 H12 F4 O2 -","- C24 H12 F4 O2 -","- C96 H48 F16 O8 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0941","0.0888","","","0.2312","0.2341","","","","","","1.169","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245417","13.3355","0.0006","7.8283","0.0003","16.6774","0.0008","90","","92.888","0.002","90","","1738.81","0.13","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1-Ethylimidazolium)2 MnCl4","","- C10 H16 Cl4 Mn N4 -","- C10 H16 Cl4 Mn N4 -","- C40 H64 Cl16 Mn4 N16 -","4","2","","Fu, Hanmei; Jiang, Chunli; Luo, Chunhua; Lin, Hechun; Peng, Hui","Manganese Halide Hybrids with Reversible Luminous Color and Application for White Light-emitting Diode","CrystEngComm","2022","","","","","10.1039/D2CE00883A","","","1.54178","CuKα","","0.0786","0.0702","","","0.1735","0.1815","","","","","","1.272","","","","has coordinates","277565","2022-09-01","22:34:50",""
"7245418","11.0837","0.0001","19.8086","0.0001","37.841","0.0003","89.003","0.001","84.914","0.001","83.414","0.001","8220.55","0.11","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C210 H156 F24 N6 -","- C210 H157 F24 N6 -","- C420 H314 F48 N12 -","2","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1223","0.1097","","","0.2897","0.309","","","","","","1.281","","","","has coordinates","277572","2022-09-02","01:14:46",""
"7245419","10.8443","0.0004","36.4718","0.0012","16.354","0.0007","90","","106.635","0.004","90","","6197.5","0.4","169.99","0.12","169.99","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H60 Br2 F8 N2 Ni -","- C74 H60 Br2 F8 N2 Ni -","- C296 H240 Br8 F32 N8 Ni4 -","4","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1634","0.1343","","","0.3939","0.4189","","","","","","0.998","","","","has coordinates","277572","2022-09-02","01:14:47",""
"7245420","15.1623","0.0012","15.6426","0.0009","18.6622","0.0009","78.343","0.004","78.089","0.005","78.104","0.006","4178.7","0.5","170","0.13","170","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C92 H81.01 Br4 F8 N4 Ni2 -","- C92 Br4 F8 N4 Ni2 -","- C184 Br8 F16 N8 Ni4 -","2","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1802","0.1352","","","0.3446","0.3816","","","","","","1.344","","","","has coordinates,has disorder","277572","2022-09-02","01:14:47",""
"7245421","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0592","0.0547","","","0.1546","0.1564","","","","","","1.054","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245422","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5 H6 N6 O0.33 -","- C5 H6 N6 O0.333167 -","- C90 H108 N108 O5.997 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0812","0.0754","","","0.2165","0.2189","","","","","","1.105","","","","has coordinates,has disorder","277605","2022-09-02","22:41:32",""
"7245423","10.7265","0.0005","11.3448","0.0002","11.6327","0.0004","109.619","0.003","108.625","0.003","107.919","0.003","1118.77","0.09","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 N18 -","- C15 H18 N18 -","- C30 H36 N36 -","2","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0838","0.0804","","","0.2401","0.2466","","","","","","1.095","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245424","14.97434","0.00081","12.37809","0.00044","6.76487","0.00019","90","","90","","90","","1253.89","0.09","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-aminoadenine","2,6-diaminopurine","","- C5 H6 N6 -","- C5 H6 N6 -","- C40 H48 N48 -","8","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","powder diffraction","","0.71073","MoKα","","","","","","","","0.023","","1.97","","","","","","","has coordinates","277605","2022-09-02","22:41:33",""
"7245425","18.8851","0.0018","20.5134","0.0019","31.983","0.004","90","","90","","90","","12390","2","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C31 H23 Cl2 N5 O7 Zn2 -","- C31 H23 Cl2 N5 O7 Zn2 -","- C496 H368 Cl32 N80 O112 Zn32 -","16","0.5","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","Mo–Kα","","0.0334","0.0285","","","0.0791","0.0813","","","","","","1.067","","","","has coordinates,has disorder","277606","2022-09-02","22:43:00",""
"7245426","8.1997","0.0008","8.2594","0.0008","9.3849","0.0009","83.57","0.001","74.962","0.001","64.832","0.001","555.55","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Cu N2 O7 -","- C9 H9 Cu N2 O7 -","- C18 H18 Cu2 N4 O14 -","2","1","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","MoKα","","0.0277","0.025","","","0.074","0.0746","","","","","","1.161","","","","has coordinates","277606","2022-09-02","22:43:00",""
"7245427","10.9875","0.0002","12.293","0.0002","27.5133","0.0005","90","","90","","90","","3716.2","0.11","125","2","125","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cu N3 O8 -","- C19 H17 Cu N3 O8 -","- C152 H136 Cu8 N24 O64 -","8","2","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","1.54178","CuKα","","0.0274","0.0263","","","0.0737","0.0745","","","","","","1.043","","","","has coordinates","277606","2022-09-02","22:43:01",""
"7245428","15.8363","0.0012","5.1256","0.0004","20.636","0.0016","90","","103.118","0.003","90","","1631.3","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N3 O S -","- C20 H13 N3 O S -","- C80 H52 N12 O4 S4 -","4","1","","Das, Sangita; Patra, Lakshman; Pratim Das, Partha; Ghoshal, Kakali; Gharami, Saswati; Walton, James W.; Bhattacharyya, Maitree; Mondal, Tapan Kumar","A new ratiometric switch “two-way” detects hydrazine and hypochlorite via a “dye-release” mechanism with a PBMC bioimaging study","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02482A","","","0.71073","MoKα","","0.0587","0.0391","","","0.0977","0.1118","","","","","","1.038","","","","has coordinates","277609","2022-09-03","00:58:17",""
"7245429","8.0159","0.0005","7.6491","0.0006","15.2205","0.0011","90","","94.218","0.006","90","","930.71","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0429","0.0346","","","0.0925","0.104","","","","","","1.05","","","","has coordinates","277613","2022-09-03","22:30:40",""
"7245430","7.0384","0.0008","10.3897","0.0008","12.6776","0.0011","90","","95.857","0.01","90","","922.23","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0326","0.026","","","0.0632","0.0694","","","","","","1.064","","","","has coordinates","277613","2022-09-03","22:30:50",""
"7245431","5.1679","0.0007","10.3878","0.0018","10.5431","0.0014","113.875","0.015","90.888","0.011","99.321","0.012","508.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0693","0.0493","","","0.1023","0.1115","","","","","","1.05","","","","has coordinates","277614","2022-09-03","22:34:05",""
"7245432","7.0897","0.0005","12.7224","0.0007","17.114","0.0011","90","","90","","90","","1543.65","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Cl Cu N4 O6 -","- C12 H11 Cl Cu N4 O6 -","- C48 H44 Cl4 Cu4 N16 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0597","0.035","","","0.0747","0.0859","","","","","","1.02","","","","has coordinates,has disorder","277614","2022-09-03","22:34:16",""
"7245433","8.2351","0.0007","10.7703","0.001","11.2831","0.0009","71.752","0.008","77.454","0.007","74.439","0.008","905.83","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0742","0.0524","","","0.0991","0.1104","","","","","","1.026","","","","has coordinates,has disorder","277614","2022-09-03","22:34:17",""
"7245434","8.9697","0.0004","14.8584","0.0005","7.6158","0.0004","90","","102.409","0.005","90","","991.29","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N2 O6 -","- C8 H8 Cu N2 O6 -","- C32 H32 Cu4 N8 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0465","0.0358","","","0.0859","0.0915","","","","","","1.006","","","","has coordinates","277614","2022-09-03","22:34:18",""
"7245435","15.9487","0.0009","6.1547","0.0004","21.6085","0.001","90","","107.375","0.005","90","","2024.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu N4 O7 -","- C18 H22 Cu N4 O7 -","- C72 H88 Cu4 N16 O28 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0481","0.039","","","0.0901","0.0963","","","","","","1.047","","","","has coordinates","277614","2022-09-03","22:34:24",""
"7245436","7.5251","0.0003","14.0673","0.0006","20.2503","0.0007","90","","90","","90","","2143.65","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 Cu N5 O7 -","- C18 H21 Cu N5 O7 -","- C72 H84 Cu4 N20 O28 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0556","0.0416","","","0.0915","0.1","","","","","","0.995","","","","has coordinates","277614","2022-09-03","22:34:40",""
"7245437","7.949","0.0004","14.2074","0.001","8.5744","0.0004","90","","97.604","0.004","90","","959.83","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C36 H40 Cu2 N8 O12 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0508","0.0382","","","0.0893","0.0975","","","","","","1.062","","","","has coordinates,has disorder","277614","2022-09-03","22:34:44",""
"7245438","16.1144","0.0006","16.1144","0.0006","16.2242","0.001","90","","90","","90","","4213","0.3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H32 Cu F6 N9 O5.5 Si -","- C27 H24 Cu F6 N9 O5.5 Si -","- C108 H96 Cu4 F24 N36 O22 Si4 -","4","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.1195","0.0636","","","0.1591","0.1875","","","","","","1.037","","","","has coordinates,has disorder","277614","2022-09-03","22:34:58",""
"7245439","8.0458","0.0007","8.4741","0.0006","8.6258","0.0006","84.174","0.006","62.42","0.008","82.413","0.007","516.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.6 H23 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0446","0.0398","","","0.0995","0.1034","","","","","","1.076","","","","has coordinates,has disorder","277614","2022-09-03","22:35:01",""
"7245440","10.4648","0.0012","17.6569","0.0018","16.962","0.002","90","","96.147","0.011","90","","3116.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu3 N6 O14.5 -","- C22 H17 Cu3 N6 O14.5 -","- C88 H68 Cu12 N24 O58 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.229","0.1645","","","0.3106","0.3441","","","","","","1.087","","","","has coordinates","277614","2022-09-03","22:35:02",""
"7245441","38.961","0.008","21.921","0.004","23.987","0.005","90","","116.69","0.03","90","","18304","8","243","2","243","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C432 H336 Cu6 F36 N48 O72 Si6 -","2","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.76","synchrotron","","0.1158","0.0412","","","0.0905","0.11","","","","","","0.786","","","","has coordinates,has disorder","277645","2022-09-06","01:19:15",""
"7245442","20.7131","0.0015","20.7131","0.0015","15.8554","0.0012","90","","90","","90","","6802.5","0.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C240 H216 Cl16 F24 N24 O52 Si4 Zn4 -","4","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.71073","MoKα","","0.0963","0.0633","","","0.1956","0.2327","","","","","","1.037","","","","has coordinates,has disorder","277645","2022-09-06","01:19:16",""
"7245443","16.6134","0.0006","5.5697","0.0002","9.1693","0.0004","90","","104.329","0.004","90","","822.06","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-bromobenzyl)thio)ethane","","- C8 H8 Br S -","- C8 H8 Br S -","- C32 H32 Br4 S4 -","4","1","","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","One-pot thiol-free synthetic approach to sulfides, and sulfoxides selectively","RSC Advances","2022","12","39","25154","25162","10.1039/D2RA04872H","","x-ray","0.71073","MoKα","","0.0341","0.0264","","","0.0598","0.0631","","","","","","1.076","","","","has coordinates","277646","2022-09-06","01:19:55",""
"7245444","16.5752","0.0012","6.323","0.0006","9.1422","0.0008","90","","100.622","0.008","90","","941.73","0.14","304","0.1","304","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,4-bis((4-bromobenzyl)thio)but-2-ene","","- C9 H9 Br S -","- C9 H9 Br S -","- C36 H36 Br4 S4 -","4","1","","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","One-pot thiol-free synthetic approach to sulfides, and sulfoxides selectively","RSC Advances","2022","12","39","25154","25162","10.1039/D2RA04872H","","x-ray","0.71073","MoKα","","0.0525","0.035","","","0.0716","0.08","","","","","","1.029","","","","has coordinates","277646","2022-09-06","01:20:00",""
"7245445","10.9897","0.0003","10.9897","0.0003","5.9946","0.0003","90","","90","","90","","723.99","0.05","293","2","293","2","","","","","","","","4","P 4","P 4","75","","","","- Al Li3 O9.5 P2 -","- Al Li3 O9.5 P2 -","- Al4 Li12 O38 P8 -","4","1","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0436","0.0429","","","0.1297","0.1325","","","","","","0.809","","","","has coordinates","277693","2022-09-06","22:30:43",""
"7245446","7.396","0.0006","9.7388","0.0007","8.2067","0.0007","90","","106.039","0.009","90","","568.1","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Na O7 P2 -","- Al Na O7 P2 -","- Al4 Na4 O28 P8 -","4","0.5","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0746","0.0693","","","0.2036","0.2135","","","","","","1.118","","","","has coordinates","277693","2022-09-06","22:30:44",""
"7245447","13.584","0.002","9.6137","0.0012","15.958","0.002","90","","106.26","0.005","90","","2000.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C72 H48 Co4 N8 O20 -","4","1","","Xie, Wei; Yuan, Yuan; Jiang, Wei; Zhang, Shu-Ran; Xu, Guangjuan; Xu, Yanhong; Su, Zhong-Min","Heterogeneous activation of peroxymonosulfate by stable Co-MOF for efficient degradation of organic dye pollutant","CrystEngComm","2022","","","","","10.1039/D2CE00932C","","","0.71073","MoKα","","0.065","0.0513","","","0.1422","0.1526","","","","","","1.054","","","","has coordinates","277694","2022-09-06","22:31:09",""
"7245448","23.571","0.003","22.245","0.003","23.653","0.003","90","","101.993","0.006","90","","12131","3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C210 H170 Co8 N4 O42 S8 -","- C210 H170 Co8 N4 O42 S8 -","- C420 H340 Co16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1292","0.1129","","","0.2567","0.2667","","","","","","1.115","","","","has coordinates,has disorder","277720","2022-09-07","22:44:57",""
"7245449","46.824","0.01","23.576","0.005","40.269","0.009","90","","102.204","0.012","90","","43449","16","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C190 H269 N22 Ni6 O54 S8 -","- C142 H157 N6 Ni6 O38 S8 -","- C1136 H1256 N48 Ni48 O304 S64 -","8","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1496","0.1039","","","0.3","0.3344","","","","","","1.052","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245450","16.457","0.004","16.11","0.004","23.679","0.008","90","","98.337","0.012","90","","6211","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H83 Fe N3 O18 S4 -","- C48 H64 Fe N2 O15 S4 -","- C192 H256 Fe4 N8 O60 S16 -","4","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1504","0.1494","","","0.4642","0.4707","","","","","","1.088","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245451","23.513","0.002","22.1099","0.0018","24.667","0.002","90","","102.983","0.004","90","","12495.8","1.8","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H276 N20 Ni8 O58 S8 -","- C214 H178 N6 Ni8 O44 S8 -","- C428 H356 N12 Ni16 O88 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1862","0.1711","","","0.399","0.4068","","","","","","1.165","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245452","22.514","","22.114","","24.366","","90","","99.54","","90","","11963.4","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C208 H164 Mn8 N4 O42 S8 -","- C208 H164 Mn8 N4 O42 S8 -","- C416 H328 Mn16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1815","0.1467","","","0.3197","0.3434","","","","","","1.057","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245453","13.631","0.0008","19.4305","0.0011","22.666","0.0014","80.495","0.003","88.866","0.003","76.732","0.003","5761.8","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C236 H236 Mg8 N14 O50 S8 -","- C224 H208 Mg8 N10 O46 S8 -","- C224 H208 Mg8 N10 O46 S8 -","1","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1186","0.1115","","","0.2602","0.2641","","","","","","1.072","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245454","7.6295","0.0002","8.7769","0.0005","11.3046","0.0006","101.353","0.002","92.999","0.003","97.446","0.003","733.56","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole guanidinium hydrate","Sulfathiazole guanidinium hydrate (1:1:1)","","- C10 H16 N6 O3 S2 -","- C10 H16 N6 O3 S2 -","- C20 H32 N12 O6 S4 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0283","0.027","","","0.0698","0.0706","","","","","","1.064","","","","has coordinates","277721","2022-09-07","22:46:08",""
"7245455","10.6023","0.0003","8.1642","0.0002","35.1366","0.0012","90","","90","","90","","3041.4","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfathiazole, N-methylacetamide solvate","Sulfathiazole, N-methylacetamide (1:1) solvate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0755","0.0444","","","0.0995","0.1109","","","","","","1.031","","","","has coordinates,has disorder","277721","2022-09-07","22:46:08",""
"7245456","9.206","0.003","10.087","0.003","13.161","0.004","99.033","0.004","97.884","0.004","107.657","0.004","1127.7","0.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.61 H2.17 N0.09 O0.17 -","- C2.6087 H2.17391 N0.0869565 O0.173913 -","- C60 H50 N2 O4 -","23","11.5","","Nie, Chang-Rui; Zhao, Hong-Ping; Liang, Wang-Fu; Zhong, Xin-Xian; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","Base-catalyzed and DMSO-promoted intramolecular hydroalkoxylation to prepare pentacyclic chromeno[4,3-b]indolines","Green Chemistry","2022","24","18","6854","6859","10.1039/D2GC02225G","","","0.71073","MoKα","","0.0537","0.0417","","","0.1158","0.1257","","","","","","1.034","","","","has coordinates","278429","2022-10-07","00:56:54",""
"7245457","9.09482","0.00019","23.8546","0.0005","16.9383","0.0004","90","","103.492","0.002","90","","3573.4","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F2 N8 O3 Ru -","- C30 H36 F2 N8 O3 Ru -","- C120 H144 F8 N32 O12 Ru4 -","4","1","","Toyama, Mari; Hasegawa, Tomoki; Nagao, Noriharu","Colorimetric fluoride detection in dimethyl sulfoxide using a heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray crystallographic and spectroscopic analyses","RSC Advances","2022","12","39","25227","25239","10.1039/D2RA03593F","","","0.71073","MoKα","","0.0439","0.0322","","","0.0759","0.0807","","","","","","1.019","","","","has coordinates","277732","2022-09-08","01:22:41",""
"7245458","9.102","0.0002","10.5348","0.0003","17.402","0.0004","99.448","0.002","102.616","0.002","99.741","0.002","1569.4","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl2 N8 O3.5 Ru -","- C26 H24 Cl2 N8 O Ru -","- C52 H48 Cl4 N16 O2 Ru2 -","2","1","","Toyama, Mari; Hasegawa, Tomoki; Nagao, Noriharu","Colorimetric fluoride detection in dimethyl sulfoxide using a heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray crystallographic and spectroscopic analyses","RSC Advances","2022","12","39","25227","25239","10.1039/D2RA03593F","","","1.54184","CuKα","","0.0832","0.0787","","","0.2069","0.2118","","","","","","1.055","","","","has coordinates","277732","2022-09-08","01:22:52",""
"7245459","16.3935","0.0011","7.022","0.0005","23.5881","0.0015","90","","104.313","0.002","90","","2631.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.31 H48.62 Cl8.62 N4 O4 -","- C54.31 H48.62 Cl8.62 N4 O4 -","- C108.62 H97.24 Cl17.24 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0639","0.0634","","","0.194","0.1944","","","","","","1.067","","","","has coordinates,has disorder","277735","2022-09-08","22:28:50",""
"7245460","16.326","0.002","7.0749","0.0009","23.55","0.003","90","","105.465","0.003","90","","2621.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Cl4 N4 O5 -","- C56 H54 Cl4 N4 O5 -","- C112 H108 Cl8 N8 O10 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0716","0.064","","","0.2289","0.2478","","","","","","1.267","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245461","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O7.58 -","- C48 H40 Br4 N8 O7.6 -","- C96 H80 Br8 N16 O15.2 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1861","0.125","","","0.3357","0.3648","","","","","","1.145","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245462","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1507","0.1003","","","0.2746","0.2992","","","","","","1.07","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245463","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O4 -","- C52 H44 Cl4 N4 O4 -","- C104 H88 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0478","0.0383","","","0.1033","0.1076","","","","","","1.084","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245464","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O10 -","- C48 H40 Cl4 N8 O10.004 -","- C96 H80 Cl8 N16 O20.008 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0605","0.0545","","","0.1445","0.1476","","","","","","1.12","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245465","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O7.64 -","- C52 H44 Cl4 N4 O7.638 -","- C104 H88 Cl8 N8 O15.276 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0633","0.0512","","","0.1498","0.1586","","","","","","1.05","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245466","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O4 -","- C48 H40 Cl4 N8 O4 -","- C96 H80 Cl8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0587","0.054","","","0.157","0.16","","","","","","1.076","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245467","17.2287","0.0005","17.2287","0.0005","50.201","0.003","90","","90","","90","","14901.1","1.1","100","0.2","100","0.2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H30 Br2 N10 Ni O2 -","- C36 H30 Br2 N10 Ni O2 -","- C576 H480 Br32 N160 Ni16 O32 -","16","0.5","","Zhang, Chunyan; Liang, Qianqian; Yang, Wei; Zhang, Guohui; Hu, Maolin; Zhang, Guoying","Nickel(i)-catalyzed (de)hydrogenative coupling of amines and alkyl heteroarenes with alcohols","Green Chemistry","2022","24","19","7368","7375","10.1039/D2GC02206K","","x-ray","0.71073","MoKα","","0.1034","0.0713","","","0.1898","0.2181","","","","","","1.049","","","","has coordinates","278422","2022-10-07","00:55:47",""
"7245468","11.1333","0.0012","6.7427","0.0008","12.2131","0.0013","90","","109.961","0.004","90","","861.74","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.1364","0.0758","","","0.1636","0.1877","","","","","","1.037","","","","has coordinates","277746","2022-09-09","01:14:02",""
"7245469","12.2689","0.0011","5.67","0.0005","12.1751","0.0012","90","","102.582","0.003","90","","826.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.094","0.0728","","","0.1405","0.1478","","","","","","1.092","","","","has coordinates","277746","2022-09-09","01:14:03",""
"7245470","18.358","0.0017","5.6716","0.0008","8.2983","0.0011","90","","93.85","0.002","90","","862.06","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.1303","0.0869","","","0.2208","0.2481","","","","","","1.112","","","","has coordinates","277746","2022-09-09","01:14:03",""
"7245471","6.0309","0.0011","15.898","0.002","17.1914","0.0016","90","","90.932","0.007","90","","1648.1","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-chlorophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Cl F3 N3 O2 -","- C18 H11 Cl F3 N3 O2 -","- C72 H44 Cl4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","1.54178","CuKα","","0.0419","0.0388","","","0.1071","0.1103","","","","","","1.047","","","","has coordinates","277778","2022-09-12","22:36:54",""
"7245472","5.9853","0.0002","15.8708","0.0005","17.1004","0.0006","90","","90.897","0.001","90","","1624.19","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-bromophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Br F3 N3 O2 -","- C18 H11 Br F3 N3 O2 -","- C72 H44 Br4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0335","0.026","","","0.0565","0.0594","","","","","","1.0342","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245473","6.0869","0.0003","15.3931","0.0008","17.535","0.0009","90","","92.951","0.002","90","","1640.79","0.14","110.38","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(4-methoxyphenyl)methanone","","- C19 H14 F3 N3 O3 -","- C19 H14 F3 N3 O3 -","- C76 H56 F12 N12 O12 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0593","0.0459","","","0.1111","0.1199","","","","","","1.0683","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245474","6.0391","0.0002","15.7043","0.0006","17.1155","0.0006","90","","91.874","0.001","90","","1622.36","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(p-tolyl)methanone","","- C19 H14 F3 N3 O2 -","- C19 H14 F3 N3 O2 -","- C76 H56 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0502","0.0396","","","0.095","0.1009","","","","","","1.0562","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245475","5.6133","0.0016","11.125","0.003","23.1","0.006","91.6","0.012","90.153","0.012","90.094","0.013","1442","0.7","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","9-benzyl-9H-xanthene","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","2","","Li, Chao; Ding, Ran; Guo, Heng-Yi; Xia, Shuang; Shu, Lei; Wang, Pei-Long; Li, Hongji","Catalyst-free benzylic C(sp3)–H cross-coupling with organotrifluoroborates enabled by electrochemistry","Green Chemistry","2022","24","20","7883","7888","10.1039/D2GC02204D","","","0.71073","MoKα","","0.0768","0.0495","","","0.1192","0.1355","","","","","","1.07","","","","has coordinates","278989","2022-11-07","05:26:20",""
"7245476","7.6215","0.0003","9.4093","0.0003","11.0937","0.0004","78.343","0.001","82.571","0.001","66.452","0.001","713.22","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O7 Zn -","- C14 H13 N O7 Zn -","- C28 H26 N2 O14 Zn2 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0203","0.0185","","","0.0486","0.0491","","","","","","1.077","","","","has coordinates","277817","2022-09-13","22:33:41",""
"7245477","22.8351","0.0004","15.4202","0.0003","9.6337","0.0002","90","","90","","90","","3392.24","0.11","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H26 N4 O10 Zn2 -","- C38 H26 N4 O10 Zn2 -","- C152 H104 N16 O40 Zn8 -","4","0.5","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0452","0.0277","","","0.0616","0.0688","","","","","","1.036","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245478","31.1984","0.0017","7.5749","0.0004","18.5912","0.001","90","","103.223","0.002","90","","4277.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O6 Zn -","- C24 H19 N3 O6 Zn -","- C192 H152 N24 O48 Zn8 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0271","0.0236","","","0.0616","0.0636","","","","","","1.029","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245479","10.0832","0.0003","10.6327","0.0004","11.3485","0.0003","93.508","0.001","106.005","0.001","113.333","0.001","1053.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cd N3 O5 -","- C24 H17 Cd N3 O5 -","- C48 H34 Cd2 N6 O10 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0216","0.0196","","","0.0512","0.0523","","","","","","1.105","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245480","32.549","0.003","7.6144","0.0006","18.9947","0.0014","90","","104.521","0.002","90","","4557.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N3 O6 -","- C26 H19 Cd N3 O6 -","- C208 H152 Cd8 N24 O48 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0201","0.0192","","","0.0519","0.0525","","","","","","1.056","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245481","16.6814","0.0008","18.4271","0.0009","20.884","0.001","106.146","0.002","102.283","0.002","101.556","0.002","5790.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Br6 Er N3 -","- C60 H66 Br6 Er N3 -","- C240 H264 Br24 Er4 N12 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0898","0.0531","","","0.0924","0.1039","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:03",""
"7245482","18.885","0.012","18.885","0.012","28.24","0.02","90","","90","","120","","8722","10","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C63 H45 Er F18 O5.02 P2 -","- C63 H45 Er F18 O5.0233 P2 -","- C378 H270 Er6 F108 O30.1398 P12 -","6","0.333333","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.2037","0.108","","","0.2474","0.3017","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245483","15.7102","0.0003","15.8031","0.0003","18.5149","0.0003","90","","92.749","0.001","90","","4591.4","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Cl3 Er F6 O5 -","- C50 H46 Cl3 Er F6 O5 -","- C200 H184 Cl12 Er4 F24 O20 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0342","0.0256","","","0.0554","0.0586","","","","","","1.013","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245484","12.326","0.004","19.924","0.007","22.015","0.008","79.645","0.008","76.492","0.008","89.899","0.008","5167","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 Er F30 O6 -","- C51 H27 Er F30 O6 -","- C204 H108 Er4 F120 O24 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.1632","0.1258","","","0.3244","0.3648","","","","","","1.258","","","","has coordinates","277848","2022-09-14","22:29:08",""
"7245485","12.3834","0.0003","13.1486","0.0003","45.3406","0.0012","90","","93.026","0.001","90","","7372.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H65 Er F15 O7 P3 -","- C82 H65 Er F15 O7 P3 -","- C328 H260 Er4 F60 O28 P12 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0796","0.0722","","","0.1446","0.1482","","","","","","1.23","","","","has coordinates,has disorder","277848","2022-09-14","22:29:17",""
"7245486","14.1582","0.0002","14.7759","0.0003","14.9206","0.0003","70.4003","0.001","73.135","0.0011","69.4031","0.0011","2699.64","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N12 O28 P5 -","- C36 H67 N12 O28 P5 -","- C72 H134 N24 O56 P10 -","2","1","","Bowman-James, Kristin; Pramanik, Subhamay; Day, Victor W.; Thordarson, Pall","Oligomeric phosphate clusters in macrocyclic channels","CrystEngComm","2022","","","","","10.1039/D2CE00756H","","","1.54178","CuKα","","0.0654","0.043","","","0.1059","0.1181","","","","","","1.037","","","","has coordinates,has disorder","277849","2022-09-14","22:30:09",""
"7245487","7.848","0.009","9.214","0.011","11.37","0.02","105.48","0.03","103.44","0.03","106.57","0.02","715.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N O9 Zn -","- C14 H6 N O9 Zn -","- C28 H12 N2 O18 Zn2 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.143","0.0963","","","0.271","0.3176","","","","","","1.084","","","","has coordinates","277850","2022-09-14","22:31:49",""
"7245488","32.038","0.01","15.044","0.005","9.632","0.003","90","","94.159","0.006","90","","4630","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Co3 N2 O33 -","- C28 H12 Co3 N2 O33 -","- C112 H48 Co12 N8 O132 -","4","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0955","0.0778","","","0.2394","0.2591","","","","","","1.093","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245489","8.227","0.01","8.728","0.01","11.188","0.013","79.03","0.02","89.812","0.019","61.892","0.015","692.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1239","0.1106","","","0.2578","0.276","","","","","","1.079","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245490","7.8843","0.0017","8.4605","0.0017","11.499","0.003","77.292","0.005","70.241","0.003","72.421","0.003","682.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cd N O8 -","- C14 H9 Cd N O8 -","- C28 H18 Cd2 N2 O16 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.03","0.027","","","0.0703","0.0717","","","","","","1.038","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245491","8.122","0.008","8.508","0.008","10.995","0.01","78.291","0.015","88.781","0.016","61.903","0.013","653.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0511","0.0444","","","0.1315","0.1422","","","","","","1.059","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245492","10.357","0.006","22.994","0.013","10.112","0.006","90","","110.623","0.009","90","","2254","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Mn2 N6 O16 -","- C52 H34 Mn2 N6 O16 -","- C104 H68 Mn4 N12 O32 -","2","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1147","0.0803","","","0.217","0.2432","","","","","","1.083","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245493","8.13","0.003","8.482","0.003","11.025","0.004","78.243","0.006","88.144","0.006","61.759","0.006","653.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O16 -","- C28 H12 Co N2 O16 -","- C28 H12 Co N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0679","0.054","","","0.1487","0.1709","","","","","","1.095","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245494","7.89","0.01","12.45","0.016","14","0.02","103.26","0.03","106.01","0.02","103.516","0.019","1220","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N3 O9 -","- C26 H14 Co N3 O9 -","- C52 H28 Co2 N6 O18 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1315","0.0695","","","0.1702","0.2175","","","","","","1.001","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245495","21.4567","0.0008","11.733","0.0004","15.3116","0.0005","90","","109.708","0.004","90","","3628.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C152 H200 N8 O24 -","8","2","","Yao, Zhen; Yang, Ji; Luo, Zhenli; Wang, Heyu; Zhang, Xin; Ye, Jianhan; Xu, Lijin; Shi, Qian","Photo-driven metal-free multicomponent reaction between aldehydes, anilines and 4-substituted-DHPs for the synthesis of secondary amines","Green Chemistry","2022","24","20","7968","7973","10.1039/D2GC02613A","","","1.54178","CuKα","","0.1001","0.0648","","","0.1992","0.246","","","","","","1.08","","","","has coordinates","278990","2022-11-07","05:26:27",""
"7245496","9.8199","0.0003","13.2654","0.0004","32.3207","0.0009","90","","90","","90","","4210.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 N2 Zr -","- C24 H36 N2 Zr -","- C192 H288 N16 Zr8 -","8","1","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0362","0.0276","","","0.0661","0.0707","","","","","","1.049","","","","has coordinates","277911","2022-09-16","00:18:43",""
"7245497","11.0777","0.0003","12.1942","0.0004","44.1788","0.0014","90","","90","","90","","5967.8","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N Zr -","- C22 H30 Cl N Zr -","- C264 H360 Cl12 N12 Zr12 -","12","3","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0299","0.0283","","","0.0653","0.0661","","","","","","1.095","","","","has coordinates,has disorder","277911","2022-09-16","00:18:43",""
"7245498","16.9257","0.0004","12.3615","0.0003","7.6799","0.0002","90","","91.951","0.002","90","","1605.91","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Ca N2 O9 -","- C12 H18 Ca N2 O9 -","- C48 H72 Ca4 N8 O36 -","4","0.5","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","x-ray","0.71073","MoKα","","0.0342","0.031","","","0.0875","0.0897","","","","","","1.005","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245499","8.981","0.0018","16.792","0.003","8.986","0.0018","90","","119.47","0.03","90","","1179.8","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ca N2 O4 -","- C12 H8 Ca N2 O4 -","- C48 H32 Ca4 N8 O16 -","4","1","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","","0.710918","Synchrotron","","0.0402","0.0385","","","0.1116","0.1135","","","","","","1.094","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245500","21.4031","0.0005","27.8054","0.0006","9.7334","0.0002","90","","91.11","0.002","90","","5791.5","0.2","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 N4 -","- C68 H46 N4 -","- C272 H184 N16 -","4","1","","Zhang, Yuzhu; Tang, Fang; He, Xuan; Wang, Chengyuan; Kong, Lin; Yang, Jiaxiang; Ding, Aixiang","Imidazole-based AIEgens for highly sensitive and selective detection of picric acid","CrystEngComm","2022","","","","","10.1039/D2CE00953F","","","1.54178","CuKα","","0.1259","0.0763","","","0.2052","0.2524","","","","","","0.991","","","","has coordinates","277962","2022-09-18","22:35:40",""
"7245501","14.498","","14.504","","17.761","","84.51","","79.25","","61.42","","3222.04","","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N6 O10 Zn2 -","- C40 H26 N6 O10 Zn2 -","- C80 H52 N12 O20 Zn4 -","2","1","","Qin, Bowen; Zhang, Xiaoying; Dang, Jiangyan; Yue, Dan; Zhang, Bing; Li, Weidong; Gahungu, Godefroid; Wang, Zhenling; Zhang, Jingping","A 2-fold interpenetrated zinc-organic framework with triazole sites: luminescent sensing of Fe3+ and Cr2O72-, and warm white-light emission by Ln3+ ions encapsulated","CrystEngComm","2022","","","","","10.1039/D2CE00816E","","","0.71073","MoKα","","0.0795","0.0538","","","0.1447","0.1681","","","","","","1.045","","","","has coordinates,has disorder","277963","2022-09-18","22:36:35",""
"7245502","12.6744","0.0002","23.0269","0.0003","8.4804","0.0001","90","","103.198","0.002","90","","2409.65","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","George, Gary C.; Unruh, Daniel K.; Hutchins, Kristin M.","Use of a Diels–Alder reaction to modify thermal expansion properties in charge-transfer cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE01207C","","x-ray","1.54184","CuKα","","0.0681","0.0624","","","0.1329","0.136","","","","","","1.108","","","","has coordinates,has disorder","277964","2022-09-18","22:36:58",""
"7245503","12.806","0.002","16.361","0.003","17.171","0.003","90","","90","","90","","3597.7","1.1","213","2","213","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H40 Cl Fe N10 S6 -","- C18 H40 Cl Fe N10 S6 -","- C72 H160 Cl4 Fe4 N40 S24 -","4","0.5","","Wang, Ping; Chen, Ming-Kun; Tong, Yu-Qiao; Yin, Shi-Qing; Huang, Bo","Structural phase transition and dielectric relaxation in an organic-inorganic hybrid compound: [(CH3)3NH]4[Fe(SCN)6]Cl","CrystEngComm","2022","","","","","10.1039/D2CE01150F","","","0.71075","MoKα","","0.1668","0.0805","","","0.2031","0.2632","","","","","","1.058","","","","has coordinates,has disorder","277965","2022-09-18","22:37:23",""
"7245504","15.914","0.0009","19.167","0.001","17.252","0.0009","90","0.0009","106.05","0.0009","90","0.0009","5057.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Co2 I3 N6 O4 -","- C52 H42 Co2 I3 N6 O4 -","- C208 H168 Co8 I12 N24 O16 -","4","0.5","","To, Tung H.; Tran, Dang B.; Thi Thu Ha, Vu; Tran, Phong D.","Electrocatalytic H2 evolution using binuclear cobalt complexes as catalysts","RSC Advances","2022","12","40","26428","26434","10.1039/D2RA05109E","","","0.71073","MoKα","","0.0842","0.04","","0.1011","0.0941","","","","0.841","1.083","1.083","","","","","has coordinates","277974","2022-09-19","01:24:31",""
"7245505","9.101","","17.99","","5.259","","90","","90","","90","","861.04","","","","","","","","","","","","","6","P n m n","-P 2n 2n","58","","Manganese Iron Magnesium Silicon Oxide Hydroxide (1.44/4.48/1.08/8/22/2)","","- Fe4.48 H2 Mg1.08 Mn1.44 O24 Si8 -","- Fe7 Mg5 Mn2 O24 Si8 -","- Fe14 Mg10 Mn4 O48 Si16 -","2","0.25","","To, Tung H.; Tran, Dang B.; Thi Thu Ha, Vu; Tran, Phong D.","Electrocatalytic H2 evolution using binuclear cobalt complexes as catalysts","RSC Advances","2022","12","40","26428","26434","10.1039/D2RA05109E","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","277974","2022-09-19","01:24:34",""
"7245506","11.2659","0.0001","25.5758","0.0001","11.4452","0.0001","90","","116.565","0.001","90","","2949.6","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N3 O3 -","- C36 H39 N3 O3 -","- C144 H156 N12 O12 -","4","2","","Rakumitsu, Kenta; Fujii, Miho; Kusumoto, Sotaro; Kikkawa, Shoko; Azumaya, Isao; Yokoyama, Akihiro","Synthesis, crystal structure, and properties of methyl-substituted coronene amide analogue","RSC Advances","2022","12","40","26411","26417","10.1039/D2RA04035B","","","1.54184","CuKα","","0.0391","0.0383","","","0.1029","0.1035","","","","","","1.041","","","","has coordinates,has disorder","277975","2022-09-19","01:25:14",""
"7245507","7.0825","0.0007","12.654","0.0011","17.5329","0.0015","90","","95.762","0.002","90","","1563.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Diaminopentane acidephtalique;","1,5-Pentanediamine acidephtalique;1,5-Pentanediamine 1,2-phthalicacid","","- C13 H24 N2 O6 -","- C13 H24 N2 O6 -","- C52 H96 N8 O24 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1043","0.0513","","","0.0979","0.1122","","","","","","1.053","","","","has coordinates","277984","2022-09-19","22:26:20",""
"7245508","11.6407","0.0009","10.0447","0.0008","14.8138","0.0012","90","","108.974","0.004","90","","1638","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Pentanediamine1,2-dicarboxybenzene; 1,2-dicarboxybenzene acidephtalique","1,5-Pentanediamine 1,2-phthalicacid","","- C13 H26 N2 O7 -","- C13 H26 N2 O7 -","- C52 H104 N8 O28 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.095","0.0482","","","0.1034","0.1204","","","","","","1.075","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245509","9.6089","0.0009","8.0476","0.0008","19.0084","0.0017","90","","101.378","0.003","90","","1441","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-pentanediamine 1,2-dicarboxybenzene?1,5-diaminopentane 1,2-phthalicacid","1,5-pentanediamine 1,2-phthalicacid","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C52 H88 N8 O20 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1249","0.0749","","","0.1969","0.2166","","","","","","1.008","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245510","11.3309","0.0009","12.4114","0.0011","14.7248","0.0012","90","","90.451","0.002","90","","2070.7","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamineacidephtalique","1,5-Pentanediamine1,2-phthalicacid","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0433","0.0381","","","0.0974","0.0999","","","","","","1.081","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245511","15.2457","0.0012","18.4249","0.0014","8.4299","0.0006","90","","110.73","0.005","90","","2214.7","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-pentanediamine-o-Phthalic acid salt; 1,5-pentanediamine-1,2-Phthalic acid salt","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","0.5","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1097","0.0592","","","0.1257","0.1397","","","","","","1.028","","","","has coordinates","277984","2022-09-19","22:26:22",""
"7245512","9.4676","0.0008","11.6199","0.0009","14.6569","0.0011","90.349","0.001","99.391","0.002","109.501","0.003","1496.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamine1,2-dicarboxybenzene","1,5-Pentanediamine 1,2-phthalicacid","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C54 H88 N8 O18 -","2","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0832","0.0572","","","0.1574","0.1737","","","","","","1.034","","","","has coordinates,has disorder","277984","2022-09-19","22:26:22",""
"7245513","11.555","0.007","19.054","0.012","23.235","0.016","90","","96.281","0.014","90","","5085","6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C176 H216 Gd4 N20 O64 P8 -","4","0.5","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0775","0.0543","","","0.1312","0.1449","","","","","","1.036","","","","has coordinates,has disorder","278013","2022-09-20","22:33:52",""
"7245514","10.9046","0.0019","11.0745","0.0018","23.236","0.004","87.693","0.005","88.109","0.005","61.649","0.005","2467.2","0.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C88 H108 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0578","0.0439","","","0.1053","0.1132","","","","","","1.035","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245515","9.8914","0.0006","10.6271","0.0007","24.508","0.0014","81.722","0.002","80.06","0.002","63.522","0.002","2264.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1","","- C40 H46 Gd N5 O16 P2 -","- C40 H46 Gd N5 O16 P2 -","- C80 H92 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.065","0.0485","","","0.1011","0.1075","","","","","","1.054","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245516","10.0234","0.0008","11.1948","0.0009","13.8853","0.0011","112.863","0.003","91.382","0.003","111.73","0.003","1307.71","0.19","300","2","300","2","","","","","","","","6","P 1","P 1","1","","3","","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","1","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0364","0.0354","","","0.0628","0.0634","","","","","","1.136","","","","has coordinates","278013","2022-09-20","22:33:53",""
"7245517","25.4704","0.0004","10.9922","0.0001","14.0786","0.0002","90","","92.336","0.001","90","","3938.39","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Cd2 O9.5 -","- C22 H10 Cd2 O9.5 -","- C176 H80 Cd16 O76 -","8","1","","Dong, Xiuyan; duqingcuo, li; Li, Yuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying; Srivastava, Devyani; Kumar, Abhinav","3,8-connected Cd(II)-based metal-organic framework as an apt luminescent sensor for antibiotic sulfasalazine","CrystEngComm","2022","","","","","10.1039/D2CE01079H","","","1.34139","GaKα","","0.1206","0.1098","","","0.2723","0.279","","","","","","1.107","","","","has coordinates,has disorder","278051","2022-09-21","22:28:09",""
"7245518","8.919","0.0003","24.119","0.0008","16.1511","0.0005","90","","90","","90","","3474.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H16 Cl N O3 -","- C21 H16 Cl N O3 -","- C168 H128 Cl8 N8 O24 -","8","2","","Fang, Zeguo; Xie, Lin; Wang, Liang; Zhang, Qian; Li, Dong","Silver-catalyzed cascade cyclization and functionalization of N-aryl-4-pentenamides: an efficient route to γ-lactam-substituted quinone derivatives","RSC Advances","2022","12","41","26776","26780","10.1039/D2RA05283K","","x-ray","1.54184","CuKα","","0.0498","0.0425","","","0.1054","0.1124","","","","","","1.034","","","","has coordinates","278059","2022-09-22","01:08:13",""
"7245519","30.973","0.004","30.973","0.004","30.973","0.004","90","","90","","90","","29713","7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C144 H110 Eu6 N6 O43 -","- C144 H110.002 Eu6 N6 O43 -","- C576 H440.01 Eu24 N24 O172 -","4","0.0208333","","Zhao, Yue; Wang, Chang-An; Li, Ji-Kun; Li, Qian-Li; Guo, Qiang; Ru, Jing; Ma, Chun-Lin; Han, Yin-Feng","A Eu(iii) metal–organic framework based on anthracenyl and alkynyl conjugation as a fluorescence probe for the selective monitoring of Fe3+ and TNP","RSC Advances","2022","12","41","26945","26952","10.1039/D2RA02892A","","","0.71073","MoKα","","0.0818","0.0692","","","0.2113","0.2235","","","","","","1.088","","","","has coordinates,has disorder","278060","2022-09-22","01:09:08",""
"7245520","8.79","0.005","9.963","0.005","10.845","0.005","88.953","0.005","89.952","0.005","73.603","0.005","911","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F3 N2 O4 -","- C18 H21 F3 N2 O4 -","- C36 H42 F6 N4 O8 -","2","1","","Miaskiewicz, Solène; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","A gold(i)-catalysed approach towards harmalidine an elusive alkaloid from Peganum harmala","RSC Advances","2022","12","41","26966","26974","10.1039/D2RA05685B","","x-ray","0.71069","MoKα","","0.0961","0.0704","","","0.2019","0.2326","","","","","","1.117","","","","has coordinates,has disorder","278061","2022-09-22","01:09:37",""
"7245521","8.738","0.006","14.001","0.01","8.854","0.006","90","","109.928","0.009","90","","1018.3","1.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","zk","","- C22 H18 Br N O5 -","- C22 H18 Br N O5 -","- C44 H36 Br2 N2 O10 -","2","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0679","0.0473","","","0.1192","0.1297","","","","","","0.983","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245522","8.888","0.003","13.957","0.004","15.546","0.004","90","","90","","90","","1928.5","1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","zk-2","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C84 H72 Br4 N4 O12 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0545","0.0371","","","0.0882","0.0948","","","","","","1.009","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245523","11.8686","0.00007","11.8686","0.00007","23.1699","0.0003","90","","90","","120","","2826.53","0.04","200","2","200","2","","","","","","","","5","P 31","P 31","144","","","","- C20 H16 Cl3 N O -","- C20 H16 Cl3 N O -","- C120 H96 Cl18 N6 O6 -","6","2","","Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K.","Scalable synthesis and structural characterization of reversible KLK6 inhibitors","RSC Advances","2022","12","41","26989","26993","10.1039/D2RA04670A","","","0.71073","MoKα","","0.0573","0.0382","","","0.0745","0.0842","","","","","","0.986","","","","has coordinates","278063","2022-09-22","01:10:58",""
"7245524","7.5133","0.0004","9.5794","0.0004","12.1165","0.0006","90","","105.166","0.0012","90","","841.69","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O S -","- C17 H23 N O S -","- C34 H46 N2 O2 S2 -","2","1","","Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K.","Scalable synthesis and structural characterization of reversible KLK6 inhibitors","RSC Advances","2022","12","41","26989","26993","10.1039/D2RA04670A","","","0.71073","MoKα","","0.0391","0.0324","","","0.0692","0.0721","","","","","","1.062","","","","has coordinates","278063","2022-09-22","01:10:58",""
"7245525","11.5944","0.0005","7.9944","0.0004","11.8474","0.0005","90","","101.879","0.002","90","","1074.62","0.08","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N3 O2 -","- C26 H20 F3 N3 O2 -","- C52 H40 F6 N6 O4 -","2","1","","Han, Zhao; Jin, Jiaping; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Organocatalytic diastereo- and enantioselective conjugate addition of pyrazol-3-ones to 3-trifluoroethylidene oxindoles with a newly developed squaramide catalyst","RSC Advances","2022","12","41","27012","27021","10.1039/D2RA05088A","","","1.54178","CuKα","","0.0333","0.0307","","","0.0714","0.0734","","","","","","1.067","","","","has coordinates","278064","2022-09-22","01:11:32",""
"7245526","7.02449","0.00006","39.0527","0.0002","25.57042","0.00018","90","","89.9888","0.0007","90","","7014.61","0.09","100","0.1","100","0.1","","","","","","","synthetic","7","P 1 21 1","P 2yb","4","","N6-Benzoyl-2'-O-tert-butyldimethylsilyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)-adenosine","","- C30 H44 N5 O7 P S2 Si -","- C30 H44 N5 O7 P S2 Si -","- C240 H352 N40 O56 P8 S16 Si8 -","8","4","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Tomaszewska-Antczak, Agnieszka; Mikołajczyk, Barbara; Guga, Piotr","Synthesis and hybridizing properties of P-stereodefined chimeric [PS]-{DNA:RNA} and [PS]-{DNA:(2′-OMe)-RNA} oligomers","RSC Advances","2022","12","41","26815","26824","10.1039/D2RA04855H","","x-ray","1.54184","CuKα","","0.0668","0.0563","","","0.138","0.1439","","","","","","1.06","","","","has coordinates,has disorder","278065","2022-09-22","01:12:13",""
"7245527","9.7123","0.0002","15.2241","0.0004","18.7948","0.0005","90","","101.086","0.001","90","","2727.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2,4-diphenylfuran-3-carbonitrile","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Almaraz-Ortiz, Wilfrido E.; Ramos Orea, Aldahir; Casadiego-Díaz, Oscar; Reyes-Salgado, Agustín; Mejía-Galindo, Arturo; Torres-Ochoa, Rubén O.","Divergent copper-catalyzed syntheses of 3-carboxylpyrroles and 3-cyanofurans from O-acetyl oximes and β-ketoesters/nitriles","RSC Advances","2022","12","41","26673","26679","10.1039/D2RA04938D","","","1.54178","CuKα","","0.0877","0.0695","","","0.1483","0.1637","","","","","","1.158","","","","has coordinates","278066","2022-09-22","01:12:46",""
"7245528","7.5726","0.0001","12.6658","0.0002","12.7853","0.0002","90","","92.774","0.001","90","","1224.84","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Almaraz-Ortiz, Wilfrido E.; Ramos Orea, Aldahir; Casadiego-Díaz, Oscar; Reyes-Salgado, Agustín; Mejía-Galindo, Arturo; Torres-Ochoa, Rubén O.","Divergent copper-catalyzed syntheses of 3-carboxylpyrroles and 3-cyanofurans from O-acetyl oximes and β-ketoesters/nitriles","RSC Advances","2022","12","41","26673","26679","10.1039/D2RA04938D","","","0.71073","MoKα","","0.0498","0.0425","","","0.1146","0.1209","","","","","","1.051","","","","has coordinates","278066","2022-09-22","01:12:46",""
"7245529","11.8867","0.001","10.7984","0.0011","14.7513","0.0011","90","","91.235","0.007","90","","1893","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C72 F48 I8 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1107","0.1208","","","","","","1.035","","","","has coordinates","278090","2022-09-22","22:37:52",""
"7245530","7.6232","0.0009","8.0459","0.0007","15.3895","0.0017","90","","101.119","0.011","90","","926.2","0.17","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0537","0.04","","","0.1024","0.1135","","","","","","1.111","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245531","7.8296","0.0001","12.4477","0.0002","23.1195","0.0002","76.301","0.001","81.955","0.001","88.107","0.001","2167.6","0.05","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0355","0.0329","","","0.0855","0.087","","","","","","1.014","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245532","9.0859","0.0009","10.7062","0.001","25.696","0.003","82.495","0.008","89.647","0.008","86.629","0.008","2473.9","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C90 H36 Cl2 F48 I8 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0694","0.0516","","","0.1288","0.1432","","","","","","1.004","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245533","25.56024","0.00012","8.05461","0.00004","24.62605","0.0001","90","","91.1507","0.0004","90","","5068.93","0.04","170","2","170","0.1","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C180 H72 Cl4 F96 I16 N12 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0324","0.0323","","","0.0798","0.0798","","","","","","1.034","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245534","15.6729","0.0002","20.0722","0.0004","32.1725","0.0003","90","","90","","90","","10121.1","0.3","170","2","170","0.14","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C360 H144 Cl8 F192 I32 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0612","0.0469","","","0.1064","0.1189","","","","","","1.175","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245535","7.3349","0.0002","33.8687","0.0019","20.596","0.0008","90","","91.808","0.003","90","","5114","0.4","170","2","170","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8.18 H3.27 F4.36 I0.91 N0.55 O0 -","- C8.18182 H3.27273 F4.36364 I0.909091 N0.545455 -","- C180 H72 F96 I20 N12 -","22","5.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0475","0.0337","","","0.0726","0.0802","","","","","","1.032","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245536","20.5688","0.0018","7.552","0.0004","65.85","0.011","90","","90","","90","","10229","2","170","2","170","0.14","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C360 H144 F192 I40 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0631","0.0541","","","0.1011","0.1046","","","","","","1.207","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245537","10.2153","0.0004","14.8333","0.0006","33.3212","0.0009","80.102","0.003","89.936","0.003","85.987","0.003","4961.4","0.3","170","2","170","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C44 H20 Br F24 I4 N -","- C44 H20 Br F24 I4 N -","- C176 H80 Br4 F96 I16 N4 -","4","2","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0581","0.048","","","0.123","0.1286","","","","","","1.085","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245538","12.5952","0.0001","7.8714","0.0001","26.3715","0.0002","90","","97.166","0.001","90","","2594.1","0.04","170","2","170.02","0.14","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C90 H36 F48 I10 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0411","0.0408","","","0.1034","0.1039","","","","","","1.019","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245539","7.867","","12.3776","0.0001","22.9644","0.0001","75.66","0.001","82.43","0.001","88.64","0.001","2147.5","0.02","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl6 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0332","0.0322","","","0.0847","0.0855","","","","","","1.033","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245540","7.8456","0.0001","12.5041","0.0003","23.2075","0.0004","76.694","0.002","81.598","0.001","88.024","0.001","2191.81","0.07","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl4.79 F36 I7.21 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0476","0.0444","","","0.102","0.1035","","","","","","1.133","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245541","8.204","0.0004","10.2959","0.0005","12.6309","0.0006","77.925","0.004","86.254","0.004","68.455","0.005","970.32","0.09","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0396","0.0338","","","0.0803","0.0838","","","","","","1.065","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245542","7.7774","0.0004","10.5846","0.0006","13.0896","0.0005","106.273","0.004","98.342","0.004","110.384","0.005","933.67","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0377","0.0263","","","0.0545","0.0592","","","","","","1.039","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245543","15.4587","0.0004","18.4285","0.0006","26.0855","0.0009","85.737","0.003","78.93","0.003","83.347","0.003","7233.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H112 Dy6 N24 Na5 O39.5 P5 -","- C129 H107 Dy6 N24 Na5 O38 P5 -","- C258 H214 Dy12 N48 Na10 O76 P10 -","2","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","1.54184","CuKα","","0.138","0.0819","","","0.1934","0.2325","","","","","","1.021","","","","has coordinates","278091","2022-09-22","22:39:31",""
"7245544","32.922","0.002","16.3477","0.0006","34.0768","0.0019","90","","113.814","0.007","90","","16778.6","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C139.5 H131 Dy8 N16 Na4 O56 P8 -","- C138 H114 Dy8 N16 Na4 O49 P8 -","- C552 H456 Dy32 N64 Na16 O196 P32 -","4","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","0.71073","MoKα","","0.1532","0.0957","","","0.2342","0.2889","","","","","","0.97","","","","has coordinates","278091","2022-09-22","22:39:32",""
"7245545","15.828","0.0009","9.9575","0.0004","16.1714","0.0009","90","","116.785","0.007","90","","2275.3","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cl4 N O2 -","- C24 H21 Cl4 N O2 -","- C96 H84 Cl16 N4 O8 -","4","1","","Chen, Shaomin; Chen, Zhiyan; Zhang, Tianjian; Zhao, Bo; You, Bo; Li, Minghao; Gu, Yanlong","Brønsted acid-catalyzed cascade cyclization: an efficient strategy for divergent synthesis of cyclohepta[b]indole derivatives","Green Chemistry","2022","24","19","7376","7381","10.1039/D2GC02072F","","x-ray","1.54184","CuKα","","0.1107","0.0866","","","0.2314","0.2709","","","","","","1.035","","","","has coordinates","278420","2022-10-07","00:55:30",""
"7245546","9.1441","0.0002","10.1797","0.0003","10.2607","0.0003","114.406","0.003","94.673","0.002","99.133","0.002","847.17","0.05","170","0.11","170","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl F3 N O4 -","- C16 H17 Cl F3 N O4 -","- C32 H34 Cl2 F6 N2 O8 -","2","1","","Yi, Yaping; Fan, Zhengning; Xi, Chanjuan","Photoredox-catalyzed intermolecular dearomative trifluoromethylcarboxylation of indoles and heteroanalogues with CO2 and fluorinated radical precursors","Green Chemistry","2022","24","20","7894","7899","10.1039/D2GC03000D","","x-ray","1.54184","CuKα","","0.0353","0.0334","","","0.0921","0.0934","","","","","","1.093","","","","has coordinates","278988","2022-11-07","05:26:13",""
"7245547","9.5056","0.0005","28.8708","0.0009","13.6219","0.0008","90","","114.812","0.005","90","","3393.2","0.3","293","2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Metamitron-Cinnamic acid","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","2","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0756","0.0517","","","0.1166","0.1361","","","","","","1.038","","","","has coordinates","278986","2022-11-07","05:25:55",""
"7245548","11.8352","0.0012","14.4349","0.0012","6.7368","0.0008","90","","105.77","0.012","90","","1107.6","0.2","113.15","","123.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Metamitron-Naringenin","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C50 H44 N8 O12 -","2","1","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0851","0.0574","","","0.1285","0.1459","","","","","","1.046","","","","has coordinates","278986","2022-11-07","05:25:56",""
"7245549","5.2165","0.0002","13.1426","0.0004","31.0132","0.001","90","","89.95","0.003","90","","2126.21","0.12","113.15","","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Metamitron-Baicalein","","- C25 H20 N4 O6 -","- C25 H20 N4 O6 -","- C100 H80 N16 O24 -","4","1","","Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang","Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron","Green Chemistry","2022","24","20","8088","8099","10.1039/D2GC02949A","","x-ray","0.71073","MoKα","","0.0789","0.0525","","","0.1221","0.1376","","","","","","1.026","","","","has coordinates,has disorder","278986","2022-11-07","05:25:56",""
"7245550","8.0359","0.0006","10.4033","0.0008","19.0153","0.0013","96.528","0.005","98.497","0.005","105.124","0.005","1498.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H33 B F2 N2 O4 -","- C37 H33 B F2 N2 O4 -","- C74 H66 B2 F4 N4 O8 -","2","1","","Bera, Arpan; Gautam, Srishti; Sahoo, Somarupa; Pal, Apurba Kumar; Kondaiah, Paturu; Chakravarty, Akhil R.","Red light active Pt(iv)–BODIPY prodrug as a mitochondria and endoplasmic reticulum targeted chemo-PDT agent","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00225F","","","0.71073","MoKα","","0.2146","0.0772","","","0.1545","0.2176","","","","","","0.93","","","","has coordinates","278097","2022-09-23","00:01:50",""
"7245551","12.454","0.0007","5.4805","0.0002","14.1111","0.0007","90","","104.263","0.004","90","","933.45","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1152","0.1118","","","0.2784","0.2849","","","","","","1.258","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245552","9.0988","0.0006","8.741","0.0006","27.1654","0.0017","90","","90","","90","","2160.5","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54178","CuKα","","0.0386","0.0354","","","0.095","0.0984","","","","","","1.015","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245553","8.93","0.0002","15.7218","0.0003","16.4219","0.0003","100.03","0.0015","93.7146","0.0016","96.8981","0.0018","2245.21","0.08","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.083","0.0758","","","0.2299","0.2463","","","","","","1.07","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245554","11.974","0.0004","24.5642","0.0006","19.0265","0.0006","90","","94.874","0.003","90","","5576.1","0.3","130","","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C191.2 H120.8 Cl26.4 Cu4 F48 N12 O20 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1547","0.1224","","","0.3685","0.4112","","","","","","1.027","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245555","8.9544","0.0002","15.7417","0.0004","16.3905","0.0004","100.053","0.002","94.071","0.002","97.071","0.002","2247.46","0.1","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1035","0.0932","","","0.2661","0.2839","","","","","","1.04","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245556","9.0105","0.0003","15.1823","0.0004","19.9645","0.0003","109.391","0.002","92.202","0.002","100.595","0.002","2517.69","0.12","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1225","0.0984","","","0.2869","0.3162","","","","","","1.209","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245557","14.31144","0.0001","14.96748","0.0001","22.80527","0.00013","90","","93.107","0.0006","90","","4877.85","0.05","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80.8 H53.8 Cl5.4 F24 N6 O10 Zn2 -","- C80.3 H52.3 Cl5.4 F24 N6 O10 Zn2 -","- C160.6 H104.6 Cl10.8 F48 N12 O20 Zn4 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.0839","0.0797","","","0.2452","0.2527","","","","","","1.043","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245558","23.49022","0.00013","23.49022","0.00013","23.49022","0.00013","90","","90","","90","","12961.7","0.12","","","295","","","","","","","","Crystallization from a solution of ZrCl4 and 4,9-diamantanedicarboxylic acid in a mixture of DMF and formic acid at 120 degrees Celsius.","4","F m -3 m","-F 4 2 3","225","","catena-[hexakis(μ~4~-4,9-diamantanedicarboxylate)-tetra(μ~3~-oxo)-tetra(μ~3~-hydroxo)-hexazirconium];Additional note: the compound is modulated by formiate. The refined 4,9-diamantanedicarboxylate:formiate ratio is 4.56:2.86,which corresponds to [Zr6O4(OH)4(HCOO)2.86(C16H18O4)4.56] compositioncompared with the idealized, non-modulated [Zr6O4(OH)4(C16H18O4)6].The residual guest molecules in the pores are modeled by O-atoms.","","- C75.963 H82.238 O38.341 Zr6 -","- C75.9588 H82.2312 O38.3408 Zr6 -","- C303.835 H328.925 O153.363 Zr24 -","4","0.0208333","","Gvilava, Vasily; Vieten, Maximilian; Oestreich, Robert; Woschko, Dennis; Steinert, Moritz; Boldog, Ishtvan; Bulanek, Roman; Fokina, Natalie A.; Schreiner, Peter Richard; Janiak, Christoph","A diamantane-4,9-dicarboxylate based UiO-66 analogue: challenging larger hydrocarbon cage platforms","CrystEngComm","2022","","","","","10.1039/D2CE01170K","powder diffraction","x-ray","","CuKα","","0.0346","0.0346","","0.0508","0.0508","","","","5.9","","","","","","","has coordinates,has disorder","278134","2022-09-26","15:24:43",""
"7245559","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278135","2022-09-26","15:24:45",""
"7245560","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278135","2022-09-26","15:24:45",""
"7245561","9.1299","0.0005","9.5805","0.0006","10.0625","0.0006","101.793","0.001","116.073","0.001","95.318","0.001","757.04","0.08","293","0.2","293","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","1","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0228","0.0199","","","0.0465","0.0474","","","","","","1.048","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245562","17.191","0.004","9.0546","0.0018","16.425","0.004","90","","90","","90","","2556.7","1","296.1","0.5","296.1","0.5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Br Ho N2 O8 -","- C8 H12 Br Ho N2 O8 -","- C64 H96 Br8 Ho8 N16 O64 -","8","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0443","0.0415","","","0.1256","0.1272","","","","","","1.112","","","","has coordinates","278136","2022-09-26","15:24:47",""
"7245563","8.791","0.002","11.185","0.003","20.117","0.005","87.302","0.003","86.119","0.003","78.386","0.003","1932","0.8","296.1","0.1","296.1","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H43 Br3 N6 O23 Tb2 -","- C21 H43 Br3 N6 O23 Tb2 -","- C42 H86 Br6 N12 O46 Tb4 -","2","1","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.1259","0.0968","","","0.2422","0.25","","","","","","1.129","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245564","12.7703","0.0008","16.1875","0.001","22.0193","0.0014","90","","96.415","0.003","90","","4523.3","0.5","193","","193","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H30 Cd4 N4 O22 -","- C44 H30 Cd4 N4 O22 -","- C176 H120 Cd16 N16 O88 -","4","1","","Dong, Xiuyan; Li, Yuyan; Li, Duqingcuo; Liao, Donghui; Qin, Tianrui; Prakash, Om; Kumar, Abhinav; Liu, Jianqiang","A new 3D 8-connected Cd(ii) MOF as a potent photocatalyst for oxytetracycline antibiotic degradation","CrystEngComm","2022","","","","","10.1039/D2CE01121B","","","1.34139","GaKα","","0.0385","0.0328","","","0.0694","0.0717","","","","","","1.049","","","","has coordinates","278137","2022-09-26","15:24:48",""
"7245565","7.6126","0.0001","23.4046","0.0002","11.2824","0.0001","90","","103.859","0.001","90","","1951.66","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I2 N O2 -","- C20 H17 I2 N O2 -","- C80 H68 I8 N4 O8 -","4","1","","Lu, Yuling; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui","Highly efficient and fast synthesis of di-iodinated succinimide derivatives from 1,6-enyne and I2 under air at room temperature","Green Chemistry","2022","24","20","8021","8028","10.1039/D2GC02058K","","","1.54178","CuKα","","0.0433","0.0432","","","0.1279","0.128","","","","","","1.096","","","","has coordinates","278985","2022-11-07","05:25:34",""
"7245566","18.9696","0.0002","10.5128","0.0001","19.2832","0.0002","90","","89.986","0.001","90","","3845.53","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.76 H7.72 Cu0.24 N2.12 P0.47 -","- C9.76471 H7.71765 Cu0.235294 N2.11765 P0.470588 -","- C166 H131.2 Cu4 N36 P8 -","17","4.25","","Xiang, Jing; Wang, Li-Xin; Zhang, Xu; Zhu, De-Sheng; Wang, Lei; Liu, Lu-Lu; Leung, Chi-Fai; Xiang, Jing","Effect of the dangling aromatic ring on neutral luminescent bis(phosphine) Cu(i)/Ag(i) complexes with the asymmetric pyridyl-tetrazolate ligands","RSC Advances","2022","12","42","27267","27274","10.1039/D2RA04684A","","x-ray","1.54184","CuKα","","0.0818","0.077","","","0.2221","0.2266","","","","","","1.065","","","","has coordinates,has disorder","278204","2022-09-27","01:15:45",""
"7245567","19.2853","0.0009","10.8239","0.0004","19.3211","0.0008","90","","92.111","0.004","90","","4030.4","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Ag N9 P2 -","- C43 H34 Ag N9 P2 -","- C172 H136 Ag4 N36 P8 -","4","1","","Xiang, Jing; Wang, Li-Xin; Zhang, Xu; Zhu, De-Sheng; Wang, Lei; Liu, Lu-Lu; Leung, Chi-Fai; Xiang, Jing","Effect of the dangling aromatic ring on neutral luminescent bis(phosphine) Cu(i)/Ag(i) complexes with the asymmetric pyridyl-tetrazolate ligands","RSC Advances","2022","12","42","27267","27274","10.1039/D2RA04684A","","x-ray","1.54184","CuKα","","0.116","0.066","","","0.1678","0.2095","","","","","","1.026","","","","has coordinates","278204","2022-09-27","01:15:54",""
"7245568","23.086","0.006","4.9431","0.0007","26.214","0.005","90","","108.441","0.014","90","","2837.8","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl2 N2 -","- C34 H24 Cl2 N2 -","- C136 H96 Cl8 N8 -","4","1","","George, Kevin; Kannadasan, Sathananthan","An expeditious synthesis of 6,7-dihydrodibenzo[b,j][4,7] phenanthroline derivatives as fluorescent materials","RSC Advances","2022","12","42","27246","27252","10.1039/D2RA05198B","","","0.71073","MoKα","","0.1681","0.1084","","","0.2958","0.3433","","","","","","1.175","","","","has coordinates,has disorder","278205","2022-09-27","01:16:30",""
"7245569","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278225","2022-09-27","22:31:33",""
"7245570","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245571","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245572","10.6094","0.0006","12.8828","0.0007","11.8236","0.0006","90","","98.915","0.004","90","","1596.51","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl In N2 S2 -","- C10 H24 Cl In N2 S2 -","- C40 H96 Cl4 In4 N8 S8 -","4","1","","Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Kumbhare, Liladhar B.; Wadawale, A. P.; Kedarnath, G.; Singh, Vishal","Synthesis of photoresponsive and photoemissive ultrathin 2D nanosheets of In2S3 achieved through a new single source molecular precursor","RSC Advances","2022","12","42","27292","27299","10.1039/D2RA05000E","","x-ray","1.54184","CuKα","","0.0724","0.0594","","","0.152","0.1603","","","","","","1.032","","","","has coordinates","278234","2022-09-28","01:17:19",""
"7245573","6.6651","0.0003","22.2825","0.0012","10.6562","0.0006","90","","97.288","0.002","90","","1569.82","0.14","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O3 Pt -","- C15 H17 Cl N2 O3 Pt -","- C60 H68 Cl4 N8 O12 Pt4 -","4","1","","Al-Rashdi, Kamelah S.; Babgi, Bandar A.; Ali, Ehab M. M.; Davaasuren, Bambar; Jedidi, Abdesslem; Emwas, Abdul-Hamid M.; Alrayyani, Maymounah A.; Jaremko, Mariusz; Humphrey, Mark G.; Hussien, Mostafa A.","Tuning the anticancer properties of Pt(ii) complexes via structurally flexible N-(2-picolyl)salicylimine ligands","RSC Advances","2022","12","42","27582","27595","10.1039/D2RA04992A","","x-ray","0.71073","MoKα","","0.0187","0.0171","","","0.0353","0.036","","","","","","1.203","","","","has coordinates","278235","2022-09-28","01:17:40",""
"7245574","5.819","0.0002","9.8242","0.0004","20.3104","0.001","92.796","0.004","92.658","0.003","95.189","0.003","1153.44","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cl3 N2 O3 -","- C24 H23 Cl3 N2 O3 -","- C48 H46 Cl6 N4 O6 -","2","1","","Liang, Jiazhi; Huang, Jian; Yang, Qin; Fu, Yang; Ding, Qiuping; Peng, Yiyuan","Synthesis of dihydroindazolo[2,3-f]phenanthridin-5(6H)-ones via Rh(iii)-catalyzed C–H activation of 2-aryl indazoles and annulation with iodonium ylides","Green Chemistry","2022","24","21","8441","8446","10.1039/D2GC03020A","","","0.71073","MoKα","","0.0544","0.0428","","","0.1082","0.1154","","","","","","1.047","","","","has coordinates","278991","2022-11-07","05:26:38",""
"7245575","12.5652","0.0002","14.3595","0.0003","12.2203","0.0002","90","","100.202","0.001","90","","2170.05","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6a","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54178","CuKα","","0.0511","0.0421","","","0.1003","0.11","","","","","","1.028","","","","has coordinates","278987","2022-11-07","05:26:06",""
"7245576","10.1914","0.0011","10.379","0.0011","11.8123","0.0013","73.566","0.002","67.677","0.002","83.029","0.002","1108.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7d","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C50 H54 N6 O10 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","0.71073","MoKα","","0.0843","0.0502","","","0.117","0.1274","","","","","","0.914","","","","has coordinates,has disorder","278987","2022-11-07","05:26:07",""
"7245577","9.94","0.016","10.793","0.01","16.25","0.02","108.53","0.04","96.84","0.07","106.91","0.05","1538","4","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","7jdiast2","","- C31 H29 Cl3 F N3 O5 -","- C31 H29 Cl3 F N3 O5 -","- C62 H58 Cl6 F2 N6 O10 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54184","CuKα","","0.115","0.0657","","","0.1647","0.216","","","","","","1.023","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245578","8.9559","0.0003","11.0368","0.0004","12.1951","0.0005","90.73","0.001","106.001","0.001","100.401","0.001","1137.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8m","","- C25 H24 N2 O4 -","- C25 H24 N2 O4 -","- C50 H48 N4 O8 -","2","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54178","CuKα","","0.0707","0.0605","","","0.1691","0.1716","","","","","","1.136","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245579","10.9497","0.0011","10.1546","0.0011","12.5474","0.0019","90","","111.425","0.008","90","","1298.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9n","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","González-Saiz, Beatriz; Pertejo, Pablo; Peña-Calleja, Pablo; Mielczarek, Marcin; Hermosilla, Tomás; Carreira-Barral, Israel; de Miguel, Olivia; Rodríguez-Vidal, Francisco; Quesada, Roberto; García-Valverde, María","Base-selective access to highly functionalized heterocycles from multicomponent Ugi adducts","Green Chemistry","2022","24","20","7988","7995","10.1039/D2GC02896D","","","1.54184","CuKα","","0.0506","0.0423","","","0.0995","0.1093","","","","","","1.065","","","","has coordinates","278987","2022-11-07","05:26:07",""
"7245580","8.187","0.003","9.949","0.003","10.504","0.003","76.646","0.006","82.523","0.006","75.163","0.006","802.4","0.4","570","2","570","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.1044","0.058","","","0.159","0.1853","","","","","","1.063","","","","has coordinates","278262","2022-09-29","01:21:46",""
"7245581","21.496","0.008","7.8","0.003","21.007","0.007","90","","95.13","0.03","90","","3508","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.2539","0.0687","","","0.1021","0.1388","","","","","","0.953","","","","has coordinates","278262","2022-09-29","01:21:59",""
"7245582","8.19","0.004","11.379","0.005","12.636","0.006","104.04","0.04","91.86","0.04","97.94","0.04","1128.8","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N5 -","- C28 H21 N5 -","- C56 H42 N10 -","2","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.107","0.0731","","","0.1994","0.2512","","","","","","1.119","","","","has coordinates","278262","2022-09-29","01:22:15",""
"7245583","14.66","0.003","8.79","0.0018","16.19","0.003","90","","99.29","0.03","90","","2058.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.127","0.0508","","","0.1079","0.128","","","","","","0.853","","","","has coordinates","278262","2022-09-29","01:22:31",""
"7245584","11.278","0.003","17.731","0.003","20.405","0.005","90","","103.26","0.03","90","","3971.6","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","4","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.0845","0.0458","","","0.107","0.1208","","","","","","1.053","","","","has coordinates","278262","2022-09-29","01:22:46",""
"7245585","11.991","0.003","12.429","0.003","14.575","0.003","103.172","0.016","107.987","0.018","93.834","0.019","1989.5","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","2","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.0995","0.0719","","","0.1842","0.2067","","","","","","1.031","","","","has coordinates","278262","2022-09-29","01:22:49",""
"7245586","7.4891","0.0004","7.5179","0.0005","8.3461","0.0004","97.096","0.005","113.966","0.005","108.729","0.005","388.75","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 Cu N2 -","- C14 H18 Cl2 Cu N2 -","- C14 H18 Cl2 Cu N2 -","1","0.5","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","","0.71073","MoKα","","0.0328","0.0274","","","0.0635","0.0658","","","","","","1.074","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245587","6.1899","0.0003","8.0094","0.0005","8.5356","0.0004","89.741","0.005","79.214","0.004","70.029","0.006","389.89","0.04","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 Cu2 N2 O2 -","- C14 H16 Cl2 Cu2 N2 O2 -","- C14 H16 Cl2 Cu2 N2 O2 -","1","0.5","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","x-ray","0.71073","MoKα","","0.0438","0.0309","","","0.0641","0.0716","","","","","","1.033","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245588","13.5721","0.0014","7.179","0.0005","8.2686","0.0006","90","","110.398","0.007","90","","755.13","0.11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H20 Cu N2 O6 -","- C12 H20 Cu N2 O6 -","- C24 H40 Cu2 N4 O12 -","2","0.25","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","x-ray","0.71073","MoKα","","0.0291","0.0283","","","0.0717","0.0723","","","","","","1.113","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245589","16.745","0.0007","11.934","0.0006","18.8133","0.0009","90","","103.62","0.004","90","","3653.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl6 Cu4 N4 O -","- C28 H36 Cl6 Cu4 N4 O -","- C112 H144 Cl24 Cu16 N16 O4 -","4","1","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","","0.71073","MoKα","","0.0793","0.0392","","","0.0717","0.0857","","","","","","1.011","","","","has coordinates,has disorder","278263","2022-09-29","01:24:07",""
"7245590","10.0659","0.0001","11.5585","0.0002","16.0001","0.0002","91.9737","0.0005","100.254","0.0005","92.6788","0.0005","1828.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H84 Br4 N10 O19 -","- C70 H84 Br4 N10 O19 -","- C70 H84 Br4 N10 O19 -","1","0.5","","Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro","Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA","RSC Advances","2022","12","43","27826","27838","10.1039/D2RA05040D","","","0.71073","MoKα","","0.0292","0.0261","","","0.0641","0.0654","","","","","","1.052","","","","has coordinates,has disorder","278274","2022-09-30","01:10:00",""
"7245591","9.3162","0.0002","15.1106","0.0004","15.1042","0.0004","90","","93.2292","0.0018","90","","2122.89","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N2 O6 S -","- C21 H19 F3 N2 O6 S -","- C84 H76 F12 N8 O24 S4 -","4","1","","Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro","Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA","RSC Advances","2022","12","43","27826","27838","10.1039/D2RA05040D","","","1.54178","CuKα","","0.0429","0.0368","","","0.0979","0.1022","","","","","","1.023","","","","has coordinates","278274","2022-09-30","01:10:03",""
"7245592","8.1803","0.0004","16.3866","0.0009","17.4409","0.0009","90","","102.774","0.002","90","","2280","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 Ni O6 -","- C24 H22 N4 Ni O6 -","- C96 H88 N16 Ni4 O24 -","4","1","","Çiftçi, Esengül; Alp Arıcı, Tuğba; Arıcı, Mürsel; Erer, Hakan; Yeşilel, Okan Zafer","Synthesis, characterization and dye adsorption property of a 2D nickel(ii)-coordination polymer constructed from tetracarboxylic acid and 1,3-bis(imidazol-1-yl-methyl)benzene","CrystEngComm","2022","","","","","10.1039/D2CE00897A","","","0.71073","MoKα","","0.0506","0.0369","","","0.0895","0.0965","","","","","","1.04","","","","has coordinates","278282","2022-09-30","22:30:29",""
"7245593","7.2685","0.0003","12.4304","0.0006","14.1913","0.0006","108.995","0.004","101.944","0.004","92.083","0.004","1178.65","0.1","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag F6 N6 O2 P -","- C18 H22 Ag F6 N6 O2 P -","- C36 H44 Ag2 F12 N12 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.03","0.0281","","","0.0755","0.0775","","","","","","1.029","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245594","10.4701","0.0001","14.7904","0.0001","10.5256","0.0001","90","","100.659","0.001","90","","1601.84","0.02","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 I N2 O P -","- C11 H16 F6 I N2 O P -","- C44 H64 F24 I4 N8 O4 P4 -","4","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.0235","0.0229","","","0.058","0.0584","","","","","","1.036","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245595","9.9264","0.0003","13.3351","0.0004","14.6878","0.0005","103.504","0.003","99.401","0.002","90.172","0.002","1863.36","0.11","119.97","0.1","119.97","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C56 H64 F24 I4 N16 O8 P4 -","4","2","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.063","0.0555","","","0.1436","0.1512","","","","","","1.083","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245596","8.1008","0.0004","10.1196","0.0007","12.4667","0.0006","98.71","0.005","92.055","0.004","105.936","0.005","968.14","0.1","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C28 H32 F12 I2 N8 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.066","0.0611","","","0.1642","0.1735","","","","","","1.027","","","","has coordinates,has disorder","278283","2022-09-30","22:31:38",""
"7245597","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245598","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245599","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245600","4.3989","0.0019","11.809","0.016","10.981","0.005","90","","126.69","0.07","90","","457.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H4 O -","- C H4 O -","- C12 H48 O12 -","12","3","","Aldum, J. Collen; Jones, Isabelle; McGonigal, Paul R.; Spagnoli, Dino; Stapleton, Nicholas D.; Turner, Gemma F.; Moggach, Stephen A.","The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase","CrystEngComm","2022","","","","","10.1039/D2CE01157C","","x-ray","0.71073","MoKα","","0.1061","0.0858","","","0.2219","0.2442","","","","","","1.155","","","","has coordinates","278286","2022-09-30","22:32:59",""
"7245601","8.2367","0.0002","9.9002","0.0003","17.2237","0.0005","90","","90","","90","","1404.51","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","napalilactone","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Phan, Gia Hung; Hu, Hao-Chun; Chang, Fang-Rong; Wen, Zhi-Hong; Chen, Jih-Jung; Chung, Hsu-Ming; Tsai, Yu-Chi; Sung, Ping-Jyun","Norsesquiterpenoids from the octocoral Paralemnalia thyrsoides (Ehrenberg 1834)","RSC Advances","2022","12","43","27970","27976","10.1039/D2RA05015C","","","0.71073","MoKα","","0.0621","0.046","","","0.106","0.1248","","","","","","1.159","","","","has coordinates","278295","2022-10-01","01:13:41",""
"7245602","32.9318","0.0018","26.33","0.002","20.9841","0.0009","90","","126.265","0.005","90","","14670.6","1.8","123","2","123","0.2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C322.4 H454 Cl1.6 Cu28 I28 N10.8 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1234","0.0808","","","0.2257","0.2508","","","","","","1.045","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245603","32.9341","0.0014","26.3182","0.0014","20.9738","0.0007","90","","126.718","0.004","90","","14572.4","1.3","123.01","0.1","123.01","0.1","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1032","0.077","","","0.2283","0.2431","","","","","","1.065","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245604","32.9254","0.0014","26.3712","0.0012","21.0009","0.0006","90","","126.93","0.004","90","","14576.3","1.3","123","0.1","123","0.2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.114","0.0742","","","0.2113","0.235","","","","","","0.97","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245605","8.69237","0.00014","6.06857","0.00009","5.58397","0.0001","90","","120.797","0.001","90","","253.02","0.008","293","","293","","","","","","","","","3","C 1 m 1","C -2y","8","","oxaloacetic acid","","- C4 H4 O5 -","- C4 H4 O5 -","- C8 H8 O10 -","2","0.5","","Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad","Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03698C","powder diffraction","x-ray","1.54187","CuKα","","0.0651","0.065","","0.0979","0.0979","","","","11.2694","","","","","","","has coordinates","278350","2022-10-05","00:55:32",""
"7245606","10.0436","0.0005","11.4268","0.0006","12.7535","0.0006","92.782","0.001","96.893","0.001","108.438","0.001","1372.67","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","2","","Zhang, Jia-Hui; Cao, Mingming; Zhang, Yu; Li, Xiao-Hui; Gu, Yu-Cheng; Li, Xiao-Nian; Di, Ying-Tong; Hao, Xiao-Jiang","Scalemic myrionsumamide A, tetracyclic skeleton alkaloids from Myrioneuron effusum","RSC Advances","2022","12","43","28147","28151","10.1039/D2RA05342J","","","1.54178","CuKα","","0.0747","0.0744","","","0.2159","0.2165","","","","","","1.107","","","","has coordinates","278351","2022-10-05","01:19:18",""
"7245607","9.0251","0.001","11.4612","0.0013","11.5392","0.0013","64.078","0.002","82.62","0.002","83.522","0.002","1062.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N3 S -","- C23 H20 Br N3 S -","- C46 H40 Br2 N6 S2 -","2","1","","Wang, Kai-Kai; Li, Yan-Li; Wang, Ming-Yue; Jing, Jun; Wang, Zhan-Yong; Chen, Rongxiang","[3 + 2] cycloaddition of nonstabilized azomethine ylides and 2-benzothiazolamines to access imidazolidine derivatives","RSC Advances","2022","12","44","28295","28298","10.1039/D2RA04616D","","","0.71073","MoKα","","0.0738","0.0412","","","0.0896","0.0989","","","","","","0.993","","","","has coordinates","278352","2022-10-05","01:19:38",""
"7245608","9.8007","0.0008","19.457","0.0018","15.5025","0.0012","90","","99.565","0.007","90","","2915.1","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 F7 N4 O4 -","- C28 H27 F7 N4 O4 -","- C112 H108 F28 N16 O16 -","4","2","","Chen, Yu-Lan; Sun, Li-Wen; Chen, Jia-Wei; Zhu, Ming-Quan; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3 under transition-metal-free conditions","Green Chemistry","2022","24","18","6816","6822","10.1039/D2GC02045A","","x-ray","0.71073","MoKα","","0.1359","0.0926","","","0.2199","0.2673","","","","","","1.005","","","","has coordinates,has disorder","278366","2022-10-05","20:19:13",""
"7245609","13.747","0.014","14.758","0.015","27.87","0.03","100.735","0.013","95.345","0.012","114.55","0.011","4960","9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5.18 H12 La0.12 Mo1.41 N0.24 O8 P1.06 -","- C5.17647 H12 La0.117647 Mo1.41176 N0.235294 O8 P1.05882 -","- C88 H204 La2 Mo24 N4 O136 P18 -","17","8.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1742","0.0879","","","0.2091","0.2461","","","","","","1.115","","","","has coordinates","278369","2022-10-05","22:19:28",""
"7245610","14.04","0.0015","15.0002","0.0016","15.2701","0.0018","68.94","0.003","67.689","0.002","65.66","0.001","2631","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.2387","0.1384","","","0.3081","0.3491","","","","","","1.154","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245611","13.7382","0.0013","14.6869","0.0014","27.76","0.003","100.262","0.003","95.45","0.002","114.794","0.005","4912.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Ce Mo12 N2 O68 P9 -","- C44 H102 Ce Mo12 N2 O68 P9 -","- C88 H204 Ce2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1591","0.0733","","","0.1522","0.1774","","","","","","1.101","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245612","13.7418","0.0014","14.678","0.0015","27.787","0.003","100.421","0.003","95.337","0.002","114.467","0.005","4928.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 O68 P9 Pr -","- C44 H102 Mo12 N2 O68 P9 Pr -","- C88 H204 Mo24 N4 O136 P18 Pr2 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1991","0.0972","","","0.2319","0.2679","","","","","","1.216","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245613","13.7674","0.0014","14.6533","0.0015","27.613","0.003","100.341","0.003","95.132","0.002","114.438","0.004","4905.1","0.9","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H91 Eu Mo12 N2 O64 P9 -","- C44 H91 Eu Mo12 N2 O64 P9 -","- C88 H182 Eu2 Mo24 N4 O128 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1589","0.071","","","0.1662","0.1997","","","","","","0.998","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245614","13.9774","0.0011","14.8473","0.0016","28.034","0.003","100.36","0.003","94.898","0.002","114.438","0.004","5126.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Gd Mo12 N2 O68 P9 -","- C44 H102 Gd Mo12 N2 O68 P9 -","- C88 H204 Gd2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1658","0.0942","","","0.2431","0.2849","","","","","","1.175","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245615","13.7846","0.0014","14.6894","0.0015","14.9564","0.0014","68.855","0.002","67.695","0.002","65.792","0.001","2478.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1906","0.1268","","","0.3128","0.3458","","","","","","1.452","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245616","25.321","0.003","14.408","0.0012","24.126","0.002","90","","113.587","0.004","90","","8066.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Yb -","- C32 H77 Mo12 N O59 P7 Yb -","- C128 H308 Mo48 N4 O236 P28 Yb4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1382","0.0767","","","0.1852","0.2133","","","","","","1.067","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245617","25.388","0.003","14.4121","0.0015","24.165","0.003","90","","113.488","0.004","90","","8109.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Tm -","- C32 H77 Mo12 N O59 P7 Tm -","- C128 H308 Mo48 N4 O236 P28 Tm4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.131","0.0735","","","0.1622","0.1864","","","","","","1.051","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245618","25.403","0.012","14.473","0.007","24.145","0.011","90","","113.517","0.006","90","","8140","7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Y -","- C32 H77 Mo12 N O59 P7 Y -","- C128 H308 Mo48 N4 O236 P28 Y4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1352","0.0866","","","0.1685","0.1845","","","","","","1.068","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245619","10.0055","0.0002","13.0597","0.0003","14.2217","0.0003","101.936","0.001","104.117","0.001","101.976","0.001","1696.84","0.06","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 F3 N2 -","- C39 H34 F3 N2 -","- C78 H68 F6 N4 -","2","1","","Zhang, Yuyang; Chen, Fuqiang; Zheng, Jie; Song, Zhongming; Wang, Yanping; Mao, Yueyuan; Tang, Jing; Guo, Jiahao; Wang, Xuchun","Aggregate emission behaviors and reversible mechanofluorochromic properties of α-cyanostilbene functionalized indolo[3,2-b]carbazole derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01015A","","","1.54178","CuKα","","0.2793","0.2604","","","0.5727","0.5992","","","","","","2.743","","","","has coordinates","278370","2022-10-05","22:20:33",""
"7245620","8.9547","0.0002","8.4131","0.0001","16.386","0.0003","90","","99.853","0.002","90","","1216.26","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0434","0.0398","","","0.1122","0.1169","","","","","","1.051","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245621","6.9208","0.0009","7.4115","0.0006","11.9359","0.0012","101.965","0.007","90.131","0.009","92.439","0.008","598.35","0.11","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O3 S -","- C13 H10 N2 O3 S -","- C26 H20 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.1294","0.1261","","","0.3218","0.3232","","","","","","1.205","","","","has coordinates,has disorder","278993","2022-11-07","05:26:57",""
"7245622","7.9773","0.0004","8.6323","0.0004","8.8553","0.0004","92.357","0.004","103.812","0.004","111.69","0.004","544.55","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.044","0.0421","","","0.1115","0.1128","","","","","","1.058","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245623","8.0147","0.0002","8.1452","0.0002","9.4761","0.0002","94.6","0.002","107.839","0.002","107.022","0.002","553.18","0.03","295.12","0.1","295.12","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O3 S -","- C11 H12 N2 O3 S -","- C22 H24 N4 O6 S2 -","2","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0424","0.0414","","","0.1188","0.1203","","","","","","1.053","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245624","9.887","0.0002","7.8158","0.0002","18.9459","0.0004","90","","101.306","0.002","90","","1435.63","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.0606","0.056","","","0.1512","0.1601","","","","","","1.061","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245625","11.2705","0.0001","12.223","0.0002","20.2303","0.0002","90","","90","","90","","2786.91","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C120 H112 N16 O32 S8 -","8","2","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.034","0.0322","","","0.0879","0.0896","","","","","","1.044","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245626","7.5776","0.0001","14.7143","0.0002","17.7153","0.0003","90","","90","","90","","1975.24","0.05","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-1-methyl-2-(prop-2-yn-1-yl)-1,2-dihydropyridazine-3,6-dione","","- C8 H6 Br2 N2 O2 -","- C8 H6 Br2 N2 O2 -","- C64 H48 Br16 N16 O16 -","8","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0273","0.0207","","","0.0457","0.048","","","","","","1.067","","","","has coordinates","278375","2022-10-06","00:58:42",""
"7245627","9.71112","0.00009","15.04527","0.00014","11.81596","0.00012","90","","90.7446","0.0009","90","","1726.24","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Si-Xanthone","3,7-bis(dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one","","- C19 H24 N2 O Si -","- C19 H24 N2 O Si -","- C76 H96 N8 O4 Si4 -","4","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0467","0.0394","","","0.1045","0.1103","","","","","","1.043","","","","has coordinates","278375","2022-10-06","00:58:42",""
"7245628","8.6606","0.0002","18.8553","0.0002","12.7788","0.0003","90","","107.662","0.002","90","","1988.39","0.07","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(dimethylsilanediyl)bis(4-bromo-N,N-dimethylaniline)","","- C18 H24 Br2 N2 Si -","- C18 H24 Br2 N2 Si -","- C72 H96 Br8 N8 Si4 -","4","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0478","0.0335","","","0.0584","0.0627","","","","","","1.045","","","","has coordinates,has disorder","278375","2022-10-06","00:58:42",""
"7245629","5.1667","0.00004","7.62474","0.00006","20.29901","0.00017","90","","91.9565","0.0008","90","","799.208","0.011","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Biotin-NHS","2,5-dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate","","- C14 H19 N3 O5 S -","- C14 H19 N3 O5 S -","- C28 H38 N6 O10 S2 -","2","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0734","0.0737","","","","","","1.059","","","","has coordinates","278375","2022-10-06","00:58:43",""
"7245630","8.6009","0.0012","21.017","0.003","11.5416","0.0015","90","","94.661","0.003","90","","2079.4","0.5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H22 F3 N3 O2 -","- C22 H22 F3 N3 O2 -","- C88 H88 F12 N12 O8 -","4","1","","Xuan, Liangming; Du, Ruyang; Lei, Panpan; Zhao, Wei; Tan, Lixiang; Ni, Chuanzhi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener","Remote C(sp3)–H heteroarylation of N-fluorocarboxamides with quinoxalin-2(1H)-ones under visible-light-induced photocatalyst-free conditions","Green Chemistry","2022","24","24","9475","9481","10.1039/D2GC02874C","","","0.71073","MoKα","","0.091","0.052","","","0.106","0.1244","","","","","","1.061","","","","has coordinates","280174","2023-01-06","09:40:59",""
"7245631","8.5211","0.0004","6.8626","0.0003","7.556","0.0004","90","","101.533","0.001","90","","432.93","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C16 H12 N8 O4 -","2","0.5","","Chavez, David E.; Tappan, Bryce C.; Kuehl, Valerie A.; Schmalzer, Andrew M.; Leonard, Philip W.; Wu, Ruilian; Imler, Greg H.; Parrish, Damon A.","[3+2] click chemistry approach to tetrazine containing polymers","RSC Advances","2022","12","44","28490","28493","10.1039/D2RA05339J","","","0.71073","MoKα","","0.0494","0.0369","","","0.0965","0.1039","","","","","","1.044","","","","has coordinates","278463","2022-10-07","01:13:44",""
"7245632","9.1611","0.0017","28.828","0.006","5.3391","0.0012","90","","90","","90","","1410","0.5","273.15","","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Ye, Min; Xu, Fan; Bai, Yun; Zhang, Fanglian; Wang, Wenjia; Qian, Yiping; Chen, Zhengwang","Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure","RSC Advances","2022","12","44","28576","28579","10.1039/D2RA05393D","","","0.71073","MoKα","","0.1316","0.1207","","","0.3122","0.3193","","","","","","1.0359","","","","has coordinates","278466","2022-10-07","01:15:02",""
"7245633","9.3594","0.0009","12.4742","0.0012","11.0555","0.0012","90","","95.258","0.004","90","","1285.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Ye, Min; Xu, Fan; Bai, Yun; Zhang, Fanglian; Wang, Wenjia; Qian, Yiping; Chen, Zhengwang","Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure","RSC Advances","2022","12","44","28576","28579","10.1039/D2RA05393D","","","0.71076","MoKα","","0.0961","0.0629","","","0.1279","0.1408","","","","","","1.074","","","","has coordinates","278466","2022-10-07","01:15:02",""
"7245634","23.578","0.0007","25.621","0.0008","20.728","0.0008","90","","103.378","0.0013","90","","12181.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H87 Cl25 Co2 N8 O16 -","- C111 H87 Cl25 Co2 N8 O16 -","- C444 H348 Cl100 Co8 N32 O64 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.1911","0.099","","","0.273","0.3232","","","","","","1.009","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245635","13.7973","0.0008","9.4225","0.0006","14.4229","0.0008","90","","97.481","0.002","90","","1859.09","0.19","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cu F12 N2 O8 -","- C36 H22 Cu F12 N2 O8 -","- C72 H44 Cu2 F24 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0833","0.0518","","","0.1246","0.1425","","","","","","1.033","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245636","17.1498","0.0009","6.2278","0.0004","17.3103","0.0009","90","","118.787","0.002","90","","1620.35","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0764","0.0614","","","0.1515","0.1624","","","","","","1.055","","","","has coordinates","278494","2022-10-07","22:38:01",""
"7245637","13.444","0.003","11.996","0.002","19.179","0.004","90","","103.8","0.03","90","","3003.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl5 N2 O4 Zn -","- C27 H21 Cl5 N2 O4 Zn -","- C108 H84 Cl20 N8 O16 Zn4 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0643","0.0511","","","0.1469","0.1553","","","","","","1.041","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245638","15.0994","0.0015","7.2763","0.0006","26.937","0.003","90","","100.19","0.002","90","","2912.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C106 H82 Cd4 Cl6 I8 N8 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0834","0.0499","","","0.1152","0.131","","","","","","1.022","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245639","15.7509","0.0018","13.2011","0.0013","15.8501","0.0016","90","","105.818","0.003","90","","3170.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 S6 Se2 -","- C10 H10 S6 Se2 -","- C80 H80 S48 Se16 -","8","2","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1344","0.059","","","0.1072","0.1322","","","","","","1.008","","","","has coordinates","278515","2022-10-10","22:38:04",""
"7245640","6.9069","0.0011","11.158","0.0015","19.166","0.003","90","","92.399","0.006","90","","1475.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br S4 Se2 -","- C10 H12 Br S4 Se2 -","- C40 H48 Br4 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0745","0.0682","","","0.1703","0.1733","","","","","","1.134","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245641","16.179","0.009","8.23","0.005","11.342","0.007","90","","96.59","0.03","90","","1500.2","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 S4 Se2 -","- C10 H12 S4 Se2 -","- C40 H48 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1271","0.0736","","","0.1559","0.1854","","","","","","1.043","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245642","5.8409","0.0004","17.6599","0.0012","16.2327","0.0009","90","","93.323","0.002","90","","1671.58","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br2 S12 Se4 -","- C20 H20 Br2 S12 Se4 -","- C40 H40 Br4 S24 Se8 -","2","0.5","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0581","0.0355","","","0.0759","0.0854","","","","","","1.054","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245643","7.7833","0.0002","14.5312","0.0004","13.2396","0.0003","90","","90.865","0.001","90","","1497.24","0.07","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 Zn -","- C6 H18 Br4 N2 Zn -","- C24 H72 Br16 N8 Zn4 -","4","1","","Lim, Ae Ran; Ju, Huiyeong","Organic–inorganic hybrid [NH3(CH2)6NH3]ZnBr4 crystal: structural characterization, phase transitions, thermal properties, and structural dynamics","RSC Advances","2022","12","44","28720","28727","10.1039/D2RA04834E","","","0.71073","MoKα","","0.0421","0.03","","","0.0633","0.0677","","","","","","1.047","","","","has coordinates","278520","2022-10-11","01:15:10",""
"7245644","15.7628","0.0004","9.9401","0.0002","14.6764","0.0003","90","","114.612","0.003","90","","2090.64","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F N3 O5.5 -","- C21 H25 F N3 O5.5 -","- C84 H100 F4 N12 O22 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0574","0.0534","","","0.1569","0.1614","","","","","","1.091","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245645","26.6114","0.0005","15.8766","0.0003","5.4278","0.0001","90","","90","","90","","2293.24","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 F N3 O5 -","- C25 H28 F N3 O5 -","- C100 H112 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0488","0.0472","","","0.1267","0.1293","","","","","","1.075","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245646","27.4657","0.0003","15.6448","0.0002","5.5604","0.0001","90","","90","","90","","2389.28","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 F N3 O5 -","- C26 H30 F N3 O5 -","- C104 H120 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0474","0.0452","","","0.1242","0.1255","","","","","","1.129","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245647","16.7798","0.0006","16.7798","0.0006","28.3067","0.0012","90","","90","","120","","6902.3","0.5","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H38 Cd N6 O4 -","- C38 H38 Cd N6 O4 -","- C228 H228 Cd6 N36 O24 -","6","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0756","0.0453","","","0.0965","0.1071","","","","","","1.029","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245648","7.664","0.004","10.968","0.006","12.971","0.006","114.88","0.018","99.231","0.018","97.47","0.02","952.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","1","0.5","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1353","0.0882","","","0.2321","0.3098","","","","","","1.156","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245649","7.0781","0.0002","10.5603","0.0002","14.5209","0.0003","77.605","0.001","84.317","0.001","70.964","0.001","1001.62","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O5 Zn -","- C22 H18 N2 O5 Zn -","- C44 H36 N4 O10 Zn2 -","2","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0435","0.0353","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates,has disorder","278531","2022-10-11","22:41:53",""
"7245650","18.2794","0.0005","29.9253","0.0008","13.2838","0.0003","90","","90","","90","","7266.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C255 H287 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","1","0.25","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1149","0.0721","","","0.1883","0.216","","","","","","1.031","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245651","9.7193","0.0011","9.8781","0.0016","11.6443","0.0016","68.313","0.014","78.335","0.011","74.819","0.012","995.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","3-carboxypyridinium hydrogen squarate hemihydrate","nicotinium hydrogen squarate hemihydrate","","- C20 H16 N2 O13 -","- C20 H16 N2 O13 -","- C40 H32 N4 O26 -","2","1","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0623","0.0435","","","0.0989","0.1098","","","","","","1.036","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245652","6.5246","0.0002","11.8093","0.0006","12.8138","0.0005","82.366","0.004","77.224","0.003","78.515","0.004","939.51","0.07","134.6","0.2","134.6","0.2","","","","","","","","4","P -1","-P 1","2","4-carboxypyridinium hydrogen squarate","isonicotinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C40 H28 N4 O24 -","4","2","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","1.54184","CuKα","","0.0476","0.0425","","","0.12","0.1261","","","","","","1.063","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245653","11.2508","0.0009","16.8024","0.0009","11.2451","0.0009","90","","115.211","0.01","90","","1923.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-carboxypyridinium hydrogen squarate","picolinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C80 H56 N8 O48 -","8","1","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0835","0.0562","","","0.1051","0.1191","","","","","","1.036","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245654","8.5793","0.001","10.059","0.0011","24.193","0.003","90","","92.552","0.002","90","","2085.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Cu(m-bix)(FDC)(H2O)]?H2O]}n","","","- C20 H20 Cu N4 O7 -","- C20 H20 Cu N4 O7 -","- C80 H80 Cu4 N16 O28 -","4","1","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0576","0.0434","","","0.1191","0.1334","","","","","","1.077","","","","has coordinates","278533","2022-10-11","22:43:47",""
"7245655","26.8482","0.0018","10.3399","0.0007","22.165","0.002","90","","125.809","0.001","90","","4990.1","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu2(DAP)4(NIP)2]?DMF]}n","","","- C47 H53 Cu2 N11 O13 -","- C47 H53 Cu2 N11 O13 -","- C188 H212 Cu8 N44 O52 -","4","0.5","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0704","0.048","","","0.1269","0.1467","","","","","","1.058","","","","has coordinates,has disorder","278533","2022-10-11","22:43:47",""
"7245656","4.3115","0.0007","4.3115","0.0007","14.936","0.002","90","","90","","90","","277.65","0.07","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu0.97 K Mn1.03 Te2 -","- Cu0.96 K Mn1.04 Te2 -","- Cu1.92 K2 Mn2.08 Te4 -","2","0.0625","","Sun, Fan; Liu, Zhao; Lin, Jiawei; Deng, Jun; Guo, Zhongnan; Yuan, Wenxia","KMnCuTe2: a layered antiferromagnetic semiconductor with long metal–metal distance","RSC Advances","2022","12","45","29003","29009","10.1039/D2RA04789F","","","0.71073","MoKα","","0.0207","0.0202","","","0.0497","0.0499","","","","","","1.236","","","","has coordinates","278540","2022-10-12","01:26:56",""
"7245657","8.3812","0.0007","9.8732","0.0008","13.0649","0.0011","82.404","0.003","88.395","0.003","86.109","0.003","1068.96","0.15","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C46 H48 N4 O8 S2 -","2","1","","Anand, Sekar; Rani, Muthurakku Usha; Kalainathan, Sivaperuman; Babu, Ravi Shanker","Analysis of the growth and physicochemical properties of the newly developed stilbazolium derivative 4-N,N-dimethylamino-4-N-methyl stilbazolium 2-formyl benzene sulfonate (DSFS) single crystal: an effective material for nonlinear optical applications","RSC Advances","2022","12","45","29022","29033","10.1039/D2RA05302K","","","0.71073","MoKα","","0.0787","0.0485","","","0.1119","0.1321","","","","","","1.037","","","","has coordinates","278541","2022-10-12","01:27:23",""
"7245658","12.9318","0.0006","13.4441","0.0007","21.2885","0.0013","87.26","0.003","77.637","0.002","68.699","0.003","3366.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H57 As8 N12 Ni3 O50.5 S V14 -","- C12 H46 As8 N12 Ni3 O50.5 S V14 -","- C24 H92 As16 N24 Ni6 O101 S2 V28 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1009","0.0707","","","0.191","0.2161","","","","","","0.883","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245659","8.41","0.004","9.221","0.005","11.896","0.006","81.328","0.007","80.254","0.007","83.965","0.008","895.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl4 Fe2 N12 O -","- C36 H24 Cl4 Fe2 N12 O -","- C36 H24 Cl4 Fe2 N12 O -","1","0.5","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1013","0.0646","","","0.1511","0.1967","","","","","","1.05","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245660","8.8127","0.0006","10.9546","0.0005","15.1293","0.0006","71.115","0.004","81.894","0.004","68.777","0.005","1287.76","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl Mn N6 O4 -","- C24 H27 Cl Mn N6 O4 -","- C48 H54 Cl2 Mn2 N12 O8 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0687","0.049","","","0.1186","0.1351","","","","","","1.006","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245661","8.7197","0.0017","9.1076","0.0018","13.374","0.003","106.09","0.03","99.73","0.03","100.6","0.03","975.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 Fe N6 O2 -","- C18 H16 Cl2 Fe N6 O2 -","- C36 H32 Cl4 Fe2 N12 O4 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.087","0.0819","","","0.2299","0.2377","","","","","","1.084","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245662","12.6917","0.0011","18.5226","0.0017","24.683","0.002","93.07","0.002","93.369","0.002","97.272","0.002","5735","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H152 Fe7 N6 O37 -","- C94 H152 Fe7 N6 O37 -","- C188 H304 Fe14 N12 O74 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0743","0.0515","","","0.1168","0.1315","","","","","","1.044","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245663","9.2814","0.0009","15.3813","0.0015","15.9903","0.0015","90","","93.392","0.003","90","","2278.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl2 Fe N6 O2 -","- C23 H21 Cl2 Fe N6 O2 -","- C92 H84 Cl8 Fe4 N24 O8 -","4","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0693","0.044","","","0.0931","0.0999","","","","","","0.904","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245664","24.887","0.018","12.069","0.009","35.14","0.02","90","","108.01","0.02","90","","10038","12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H123 Fe7 N7 O29 -","- C80 H123 Fe7 N7 O29 -","- C320 H492 Fe28 N28 O116 -","4","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1601","0.0846","","","0.1836","0.2276","","","","","","0.998","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245665","11.9688","0.0017","40.521","0.006","15.23","0.002","90","","111.591","0.004","90","","6868.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H50 Cl32 Fe10 N24 O0.45 -","- C72 H50 Cl32 Fe10 N24 O0.452 -","- C144 H100 Cl64 Fe20 N48 O0.904 -","2","0.5","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1646","0.0946","","","0.207","0.2252","","","","","","1.003","","","","has coordinates,has disorder","278542","2022-10-12","01:29:58",""
"7245666","16.277","0.006","22.189","0.008","31.533","0.011","70.195","0.009","79.277","0.012","72.259","0.011","10162","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81.25 H132 Fe7 N6 O29.75 -","- C81.25 H132 Fe7 N6 O29.75 -","- C325 H528 Fe28 N24 O119 -","4","2","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1922","0.0773","","","0.1246","0.1652","","","","","","0.981","","","","has coordinates,has disorder","278542","2022-10-12","01:29:58",""
"7245667","17.6657","0.0003","11.3205","0.0002","8.8645","0.0002","90","","90","","90","","1772.76","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H27 N13 O5 Zn2 -","- C27 H27 N13 O5 Zn2 -","- C54 H54 N26 O10 Zn4 -","2","0.5","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0604","0.0586","","","0.1669","0.1713","","","","","","1.101","","","","has coordinates,has disorder","278554","2022-10-12","22:40:32",""
"7245668","18.0312","0.0005","11.2975","0.0005","8.668","0.0003","90","","90","","90","","1765.74","0.11","170","0.1","170","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N8 O3 Zn -","- C15 H18 N8 O3 Zn -","- C60 H72 N32 O12 Zn4 -","4","1","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0393","0.0381","","","0.111","0.1132","","","","","","1.121","","","","has coordinates","278554","2022-10-12","22:40:33",""
"7245669","12.2472","0.0003","20.8833","0.0005","22.777","0.0005","69.332","0.001","83.042","0.001","86.56","0.001","5409.5","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H129 Cl2 Eu4 N4 O18 S8 -","- C96 H129 Cl2 Eu4 N4 O18 S8 -","- C192 H258 Cl4 Eu8 N8 O36 S16 -","2","1","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","x-ray","0.71073","MoKα","","0.0427","0.035","","","0.0975","0.1098","","","","","","1.159","","","","has coordinates","278560","2022-10-13","01:29:19",""
"7245670","13.3479","0.0004","13.3479","0.0004","46.0809","0.0018","90","","90","","90","","8210.1","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 O44 S8 Tb9 -","- C82 H142 O44 S8 Tb9 -","- C164 H284 O88 S16 Tb18 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0787","0.0628","","","0.1582","0.1731","","","","","","1.107","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245671","12.2571","0.0003","20.9533","0.0005","22.9088","0.0006","69.3","0.001","83","0.001","86.582","0.001","5461.9","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H129 Cl2 N4 O18 S8 Tb4 -","- C96 H129 Cl2 N4 O18 S8 Tb4 -","- C192 H258 Cl4 N8 O36 S16 Tb8 -","2","1","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0415","0.0351","","","0.1001","0.112","","","","","","1.177","","","","has coordinates","278560","2022-10-13","01:29:19",""
"7245672","13.3613","0.0004","13.3613","0.0004","46.1864","0.0017","90","","90","","90","","8245.4","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H144 Gd9 O44 S8 -","- C82 H144 Gd9 O44 S8 -","- C164 H288 Gd18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0537","0.0454","","","0.1269","0.1352","","","","","","1.061","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245673","13.2526","0.0004","13.2526","0.0004","46.0114","0.0019","90","","90","","90","","8081","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 Dy9 O44 S8 -","- C82 H142 Dy9 O44 S8 -","- C164 H284 Dy18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0572","0.0498","","","0.1338","0.1411","","","","","","1.058","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245674","16.0559","0.0006","6.2918","0.0002","24.2227","0.001","90","","92.717","0.001","90","","2444.24","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 O P -","- C34 H25 O P -","- C136 H100 O4 P4 -","4","1","","Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P.","Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03723H","","","0.71073","MoKα","","0.0753","0.0543","","","0.123","0.1378","","","","","","1.096","","","","has coordinates","278577","2022-10-14","00:48:20",""
"7245675","11.6191","0.0006","5.9902","0.0004","35.856","0.002","90","","90.762","0.004","90","","2495.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 O P -","- C34 H27 O P -","- C136 H108 O4 P4 -","4","1","","Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P.","Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03723H","","","0.71073","MoKα","","0.1758","0.0879","","","0.1826","0.2302","","","","","","1.041","","","","has coordinates","278577","2022-10-14","00:48:21",""
"7245676","14.6902","0.0009","13.7174","0.0009","24.6811","0.0015","90","","93.826","0.001","90","","4962.4","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Cl2 N8 O4 Ru2 -","- C51 H66 Cl2 N8 O4 Ru2 -","- C204 H264 Cl8 N32 O16 Ru8 -","4","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.0458","0.0311","","","0.0698","0.0776","","","","","","1.036","","","","has coordinates,has disorder","278578","2022-10-14","01:12:59",""
"7245677","9.7727","0.0004","10.5843","0.0004","11.9045","0.0005","92.434","0.001","93.672","0.001","95.549","0.001","1221.61","0.09","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl N4 O2 Ru -","- C26 H29 Cl N4 O2 Ru -","- C52 H58 Cl2 N8 O4 Ru2 -","2","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.0637","0.0418","","","0.0937","0.1038","","","","","","1.071","","","","has coordinates","278578","2022-10-14","01:13:03",""
"7245678","12.9792","0.0004","13.3677","0.0005","13.2454","0.0004","90","","113.953","0.0005","90","","2100.2","0.12","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl N4 O2 Ru -","- C21 H27 Cl N4 O2 Ru -","- C84 H108 Cl4 N16 O8 Ru4 -","4","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.024","0.021","","","0.053","0.055","","","","","","1.033","","","","has coordinates","278578","2022-10-14","01:13:14",""
"7245679","5.2226","0.0003","12.772","0.0007","19.8559","0.0011","90","","90","","90","","1324.45","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O6 -","- C12 H16 N2 O6 -","- C48 H64 N8 O24 -","4","1","","Walczak, Dominik; Sikorski, Artur; Grzywacz, Daria; Nowacki, Andrzej; Liberek, Beata","Characteristic 1H NMR spectra of β-d-ribofuranosides and ribonucleosides: factors driving furanose ring conformations","RSC Advances","2022","12","45","29223","29239","10.1039/D2RA04274F","","","0.71073","MoKα","","0.0591","0.048","","","0.1026","0.1068","","","","","","1.11","","","","has coordinates","278579","2022-10-14","01:14:13",""
"7245680","8.1982","0.00011","9.94832","0.00012","11.70649","0.00014","90","","91.4133","0.0012","90","","954.47","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0315","0.0315","","","0.0826","0.0826","","","","","","1.149","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245681","10.8401","0.00011","7.44774","0.00007","11.95687","0.00012","90","","100.61","0.001","90","","948.826","0.017","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0248","0.0246","","","0.0657","0.0659","","","","","","1.118","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245682","24.535","0.0004","4.12409","0.00007","38.7414","0.0006","90","","107.189","0.0017","90","","3744.95","0.11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C144 H80 F32 I16 N32 -","8","1","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0332","0.0329","","","0.0896","0.0901","","","","","","1.131","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245683","9.4234","0.0003","14.1143","0.0004","13.3244","0.0004","90","","99.951","0.003","90","","1745.55","0.09","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","1SeCB","","","- C14 H11 N Se -","- C14 H11 N Se -","- C84 H66 N6 Se6 -","6","3","","Arakawa, Yuki; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","4′-Alkylseleno-4-cyanobiphenyls, nSeCB: synthesis and substituent effects on the phase-transition and liquid crystalline behaviors","CrystEngComm","2022","","","","","10.1039/D2CE00551D","","x-ray","0.71073","MoKα","","0.0229","0.0214","","","0.0465","0.0469","","","","","","1.026","","","","has coordinates","278596","2022-10-14","22:42:54",""
"7245684","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.0001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0431","0.0431","","","0.0312","0.0312","","","","","","1.044","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7245685","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0851","0.0501","","","0.1514","0.1761","","","","","","1.08","","","","has coordinates","278615","2022-10-17","22:38:11",""
"7245686","11.584","0.0004","13.3019","0.0004","16.7992","0.0005","67.011","0.003","80.092","0.003","77.442","0.003","2315.01","0.14","150","0.1","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H52 N12 -","- C56 H52 N12 -","- C112 H104 N24 -","2","1","","Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun","Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons","RSC Advances","2022","12","46","29840","29843","10.1039/D2RA04936H","","","1.54178","CuKα","","0.0488","0.0387","","","0.1094","0.1153","","","","","","1.05","","","","has coordinates","278638","2022-10-19","01:19:01",""
"7245687","6.1541","0.0002","16.16","0.0008","18.3677","0.0009","68.234","0.005","89.533","0.004","84.56","0.004","1688.08","0.14","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","2","","Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun","Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons","RSC Advances","2022","12","46","29840","29843","10.1039/D2RA04936H","","","1.54178","CuKα","","0.0721","0.0557","","","0.1422","0.1516","","","","","","1.072","","","","has coordinates","278638","2022-10-19","01:19:02",""
"7245688","12.8119","0.0006","17.9369","0.0011","19.3259","0.0011","90","","93.909","0.003","90","","4430.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromo-2-(4,5-diphenyl-1-phenyl-1H-imidazol-2-yl)phenol","","- C27 H19 Br N2 O -","- C27 H19 Br N2 O -","- C216 H152 Br8 N16 O8 -","8","1","","Ali, Akbar; Siddique, Abu Bakar; Ahmad, Saeed; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Vieira, Lucas Campos Curcino; Muhammad, Shabbir; Siddeeg, Saifeldin M.","Synthesis, Antimicrobial Potential and Computational Studies of Crystalline 4-Bromo-2-(1,4,5-triphenyl-1-H-imidazole-2-yl)phenol and its Metal Complexes","CrystEngComm","2022","","","","","10.1039/D2CE01118B","","","0.71073","MoKα","","0.091","0.041","","","0.0846","0.0985","","","","","","1.017","","","","has coordinates,has disorder","278642","2022-10-19","22:37:29",""
"7245689","11.0799","0.0007","20.0518","0.0014","21.6998","0.0014","90","","102.557","0.001","90","","4705.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cd7 N12 O34 -","- C90 H80 Cd7 N12 O34 -","- C180 H160 Cd14 N24 O68 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0865","0.0547","","","0.1364","0.1586","","","","","","1.082","","","","has coordinates","278671","2022-10-20","22:35:28",""
"7245690","12.678","0.0012","17.8838","0.0017","11.3101","0.0011","90","","101.053","0.002","90","","2516.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0411","0.0295","","","0.0768","0.0905","","","","","","1.14","","","","has coordinates","278671","2022-10-20","22:35:29",""
"7245691","9.3031","0.0012","11.7857","0.0015","14.388","0.0018","67.053","0.002","79.641","0.002","76.947","0.002","1407.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Br F10 N2 Pd S2 -","- C30 H13 Br F10 N2 Pd S2 -","- C60 H26 Br2 F20 N4 Pd2 S4 -","2","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0337","0.0302","","","0.0743","0.0761","","","","","","1.06","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245692","14.509","0.004","26.431","0.008","13.922","0.004","90","","108.714","0.004","90","","5057","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Br F16 N4 Pd2 S4 -","- C54 H25 Br F16 N4 Pd2 S4 -","- C216 H100 Br4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0852","0.0526","","","0.1217","0.1377","","","","","","1.001","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245693","14.2508","0.0015","25.66","0.003","13.5876","0.0015","90","","90.514","0.002","90","","4968.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 F16 N4 Pd2 S4 -","- C54 H26 F16 N4 Pd2 S4 -","- C216 H104 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.077","0.0473","","","0.0931","0.1041","","","","","","1.02","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245694","21.8004","0.0015","7.7043","0.0005","27.2357","0.0019","90","","104.64","0.001","90","","4425.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 F8 N2 Pd S2 -","- C24 H10 F8 N2 Pd S2 -","- C192 H80 F64 N16 Pd8 S16 -","8","2","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0748","0.0554","","","0.105","0.112","","","","","","1.169","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245695","14.327","0.005","26.002","0.009","13.617","0.005","90","","91.256","0.005","90","","5072","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Cl F16 N4 Pd2 S4 -","- C54 H25 Cl F16 N4 Pd2 S4 -","- C216 H100 Cl4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0548","0.0368","","","0.0872","0.096","","","","","","1.01","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245696","7.539","0.003","11.02","0.005","12.373","0.006","101.973","0.016","101.819","0.016","109.72","0.015","903.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N6 S2 Zn -","- C12 H10 I2 N6 S2 Zn -","- C24 H20 I4 N12 S4 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0514","0.0314","","","0.0553","0.0609","","","","","","1.003","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245697","5.971","0.0005","7.5328","0.0007","11.7015","0.001","79.032","0.003","78.762","0.003","77.37","0.003","497.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 Br2 N3 S Zn -","- C6 H5 Br2 N3 S Zn -","- C12 H10 Br4 N6 S2 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.026","0.0214","","","0.0494","0.0508","","","","","","1.037","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245698","14.5768","0.0005","10.8025","0.0004","7.0493","0.0002","90","","95.84","0.001","90","","1104.26","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C24 H20 I8 N12 S4 Zn4 -","4","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0366","0.0337","","","0.0782","0.0793","","","","","","1.08","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245699","27.4418","0.0012","4.7724","0.0002","12.8595","0.0005","90","","102.417","0.002","90","","1644.73","0.12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N6 S2 Zn -","- C12 H10 Br2 N6 S2 Zn -","- C48 H40 Br8 N24 S8 Zn4 -","4","0.5","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0325","0.0245","","","0.0577","0.0607","","","","","","1.038","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245700","14.5782","0.0006","32.4028","0.0012","7.0488","0.0003","90","","95.846","0.002","90","","3312.4","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C72 H60 I24 N36 S12 Zn12 -","12","3","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0646","0.0566","","","0.1464","0.1527","","","","","","1.049","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245701","14.789","0.0004","9.6838","0.0003","28.169","0.0007","90","","90","","90","","4034.19","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H43 N3 O18 U -","- C38 H43 N3 O18 U -","- C152 H172 N12 O72 U4 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0215","0.0187","","","0.0424","0.0437","","","","","","1.045","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245702","9.2147","0.0004","14.8422","0.0005","17.7684","0.0005","96.2142","0.0011","90.5305","0.0015","91.3134","0.0017","2415.04","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0225","0.0209","","","0.0521","0.0528","","","","","","1.067","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245703","13.2023","0.0007","31.6383","0.0017","15.1219","0.0008","90","","97.7928","0.0016","90","","6258.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H108 N6 O60 S6 U6 -","- C108 H96 N6 O60 S6 U6 -","- C216 H192 N12 O120 S12 U12 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0707","0.0643","","","0.1598","0.1634","","","","","","1.175","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245704","9.6207","0.0007","11.1875","0.0006","19.8035","0.0017","90","","92.098","0.003","90","","2130.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 N2 O19.5 S2 U2 -","- C38 H35 N2 O19.5 S2 U2 -","- C76 H70 N4 O39 S4 U4 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0209","0.0173","","","0.0362","0.0376","","","","","","1.053","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245705","17.7606","0.0004","12.5624","0.0003","16.849","0.0004","90","","115.386","0.0009","90","","3396.28","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C96 H132 Cl0.8 N11.2 O77.6 U12 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0232","0.0194","","","0.0442","0.0458","","","","","","1.076","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245706","39.0954","0.0015","12.9175","0.0006","20.067","0.0006","90","","93.649","0.003","90","","10113.6","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N2 -","- C30 H32 N2 -","- C480 H512 N32 -","16","2","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","1.54184","CuKα","","0.0913","0.0683","","","0.1993","0.2334","","","","","","1.046","","","","has coordinates","278718","2022-10-21","22:12:38",""
"7245707","6.356","0.004","9.042","0.006","11.117","0.007","76.992","0.008","86.676","0.007","79.275","0.008","611.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N -","- C15 H16 N -","- C30 H32 N2 -","2","1","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","0.71073","MoKα","","0.106","0.0464","","","0.1249","0.1497","","","","","","1.099","","","","has coordinates","278718","2022-10-21","22:12:39",""
"7245709","20.7129","0.0008","20.7129","0.0008","77.627","0.003","90","","90","","120","","28842","1.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O43 S6 Zn7 -","- C90 H48 O42.9999 S6 Zn7 -","- C540 H288 O257.999 S36 Zn42 -","6","0.166667","","Du, Yanfang; Wang, Xi-Xi; Cheng, Ai-Ling; Wang, Yuanyuan; Gao, En-Qing","A new multifunctional anionic 3D Zn(II)-MOF based on heptanuclear clusters: selective adsorption of organic dyes and dual-emitting sensor for nitroantibiotics","CrystEngComm","2022","","","","","10.1039/D2CE01218A","","","1.54184","CuKα","","0.1155","0.0934","","","0.2898","0.313","","","","","","1.064","","","","has coordinates","278755","2022-10-24","22:49:47",""
"7245710","11.2631","0.0002","12.6103","0.0003","13.5574","0.0003","89.5485","0.0016","75.1425","0.0017","88.066","0.0016","1860.13","0.07","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Br Cu N4 P2 -","- C43 H36 Br Cu N4 P2 -","- C86 H72 Br2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0424","0.0411","","","0.1094","0.1108","","","","","","1.058","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245711","11.1563","0.0006","12.5587","0.0005","13.446","0.0008","88.946","0.004","75.334","0.005","87.123","0.004","1820.19","0.17","114.95","0.1","114.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 P2 -","- C43 H36 Cl Cu N4 P2 -","- C86 H72 Cl2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","0.71073","MoKα","","0.058","0.0436","","","0.0895","0.0987","","","","","","1.043","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245712","11.4117","0.0002","12.5516","0.0002","13.6513","0.0002","90.828","0.001","105.286","0.001","90.71","0.001","1885.71","0.05","106","9","106","9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0423","0.0417","","","0.1073","0.1078","","","","","","1.052","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245713","9.00616","0.00016","11.8692","0.0002","20.3177","0.0003","93.1111","0.0014","95.7313","0.0013","107.25","0.0017","2055.76","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 Cu I N6 P2 -","- C45 H36 Cu I N6 P2 -","- C90 H72 Cu2 I2 N12 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0367","0.0343","","","0.0937","0.0956","","","","","","1.091","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245714","11.25791","0.00012","12.89731","0.00014","14.11533","0.00015","84.5814","0.0009","72.0161","0.001","86.2523","0.0009","1939.24","0.04","132.99","0.1","132.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cu N5 P2 S -","- C44 H36 Cu N5 P2 S -","- C88 H72 Cu2 N10 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.0958","0.0974","","","","","","1.073","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245715","9.85352","0.00009","12.5923","0.00011","18.04231","0.00013","92.8536","0.0006","97.8598","0.0007","112.288","0.0009","2039.29","0.03","297.3","0.1","297.3","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cu N7 P2 S -","- C46 H36 Cu N7 P2 S -","- C92 H72 Cu2 N14 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.046","0.0437","","","0.1196","0.1216","","","","","","1.029","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245716","12.9413","0.0001","16.4751","0.0001","21.8307","0.0002","90","","100.304","0.001","90","","4579.44","0.06","286","6","286","6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Br Cu N6 O3 P2 -","- C48 H48 Br Cu N6 O3 P2 -","- C192 H192 Br4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.061","0.0554","","","0.1498","0.1551","","","","","","1.028","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245717","12.8638","0.0013","16.3836","0.0019","21.892","0.002","90","","100.136","0.004","90","","4541.8","0.8","298","2","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl Cu N6 O3 P2 -","- C48 H48 Cl Cu N6 O3 P2 -","- C192 H192 Cl4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","","0.71073","MoKα","","0.0969","0.0465","","","0.107","0.1258","","","","","","0.958","","","","has coordinates,has disorder","278784","2022-10-25","22:46:03",""
"7245718","8.3551","0.0008","11.7955","0.0011","14.748","0.0013","90","","104.633","0.002","90","","1406.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Feng, Guipeng; Meng, Jie; Xu, Shaohong; Gao, Yao; Zhu, Yingying; Huang, Ziyu","Copper-catalyzed cross coupling reaction of sulfonyl hydrazides with 3-aminoindazoles","RSC Advances","2022","12","47","30432","30435","10.1039/D2RA05956H","","","0.71073","MoKα","","0.0498","0.0405","","","0.1073","0.1137","","","","","","0.989","","","","has coordinates","278792","2022-10-26","01:29:19",""
"7245719","6.068","0.0002","13.0347","0.0005","13.5866","0.0005","103.302","0.003","95.6327","0.0018","103.29","0.0019","1004.76","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(4-bromophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Br N3 O3 -","- C21 H22 Br N3 O3 -","- C42 H44 Br2 N6 O6 -","2","1","","Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.","Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","47","30404","30415","10.1039/D2RA04669E","","","0.71073","MoKα","","0.0463","0.0315","","","0.0708","0.0762","","","","","","1.029","","","","has coordinates","278793","2022-10-26","01:30:05",""
"7245720","17.3963","0.0006","22.485","0.001","14.0877","0.0009","90","","127.746","0.0013","90","","4357.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-dimethoxy-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C22 H25 N3 O4 -","- C21.999 H24.997 N3 O3.999 -","- C175.992 H199.976 N24 O31.992 -","8","1","","Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.","Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","47","30404","30415","10.1039/D2RA04669E","","","0.71073","MoKα","","0.0681","0.0468","","","0.1202","0.1368","","","","","","1.045","","","","has coordinates,has disorder","278793","2022-10-26","01:30:05",""
"7245721","4.807","0.0004","15.1947","0.0009","7.8938","0.0006","90","","90","","90","","576.57","0.07","100.8","0.4","100.8","0.4","","","","","","","","4","A m m 2","A 2 -2","38","[Eu(ox)0.5(CO3)(H2O)]","Europium(III) Carbonate Hemioxalate Hydrate","","- C2 H2 Eu O6 -","- C2 H2 Eu O6 -","- C8 H8 Eu4 O24 -","4","0.5","","Takano, Rina; Ishida, Takayuki; Ay, Burak","Synthesis, crystal structure, and luminescence properties of a three-dimensional coordination polymer from europium(iii) carbonate hemioxalate hydrate","CrystEngComm","2022","","","","","10.1039/D2CE01105K","","x-ray","0.71073","MoKα","","0.0224","0.0213","","","0.0519","0.0527","","","","","","1.0629","","","","has coordinates","278821","2022-10-26","22:54:53",""
"7245722","11.0002","0.0006","9.8052","0.0007","34.289","0.002","90","","90","","90","","3698.4","0.4","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Terpy_naph","","- C25 H17 N3 -","- C25 H17 N3 -","- C200 H136 N24 -","8","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.1125","0.0638","","","0.1603","0.1974","","","","","","1.056","","","","has coordinates","278822","2022-10-26","22:55:27",""
"7245723","12.7668","0.0017","14.431","0.0016","11.6963","0.0018","90","","104.463","0.012","90","","2086.6","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.2329","0.0841","","","0.1953","0.2924","","","","","","0.957","","","","has coordinates","278822","2022-10-26","22:55:28",""
"7245724","8.557","0.0006","29.967","0.002","11.5654","0.0009","90","","111.625","0.002","90","","2757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N8 O3 -","- C29 H36 N8 O3 -","- C116 H144 N32 O12 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1928","0.0733","","","0.1584","0.2015","","","","","","1.016","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245725","7.5763","0.0006","25.947","0.002","12.1602","0.001","90","","100.659","0.004","90","","2349.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N8 O2 -","- C23 H32 N8 O2 -","- C92 H128 N32 O8 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1211","0.0734","","","0.1889","0.2192","","","","","","1.065","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245726","11.9881","0.0008","8.0148","0.0005","32.4063","0.0019","90","","93.301","0.002","90","","3108.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 N8 O6 -","- C31 H40 N8 O6 -","- C124 H160 N32 O24 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.0993","0.0667","","","0.171","0.1922","","","","","","0.991","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245727","7.1219","0.0004","10.9301","0.0006","11.484","0.0007","90","","90","","90","","893.95","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe4 K6 S8 -","- Fe4 K6 S8 -","- Fe8 K12 S16 -","2","0.25","","Ghazanfari, Mohammad R.; Santhosh, Archa; Vrijmoed, Johannes C.; Siemensmeyer, Konrad; Peters, Bertram; Dehnen, Stefanie; Jerabek, Paul; Thiele, Günther","Large-scale synthesis of mixed valence K3[Fe2S4] with high dielectric and ferrimagnetic characteristics","RSC Advances","2022","12","47","30514","30521","10.1039/D2RA05200H","","","0.71073","MoKα","","0.0555","0.0428","","","0.0691","0.0724","","","","","","1.141","","","","has coordinates","278831","2022-10-27","01:40:06",""
"7245728","5.1177","0.0003","9.8637","0.0007","12.9604","0.0009","89.108","0.006","85.44","0.006","75.799","0.006","632.23","0.07","273","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H13 Cd1.5 N2 O10 P2 -","- C5 H13 Cd1.5 N2 O10 P2 -","- C10 H26 Cd3 N4 O20 P4 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0669","0.0688","","","","","","1.045","","","","has coordinates","278837","2022-10-27","22:31:28",""
"7245729","6.9845","0.0008","9.7165","0.0011","9.7438","0.001","78.978","0.002","88.949","0.002","79.339","0.002","637.76","0.12","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Co1.5 N2 O12 P3 -","- C5 H9 Co1.5 N2 O12 P3 -","- C10 H18 Co3 N4 O24 P6 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","","0.71073","MoKα","","0.0746","0.0679","","","0.2081","0.2168","","","","","","1.108","","","","has coordinates,has disorder","278837","2022-10-27","22:31:29",""
"7245730","17.601","0.002","11.3637","0.0015","24.466","0.003","90","","93.413","0.004","90","","4884.8","1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 N8 Ni O2 -","- C40 H36 N8 Ni O2 -","- C160 H144 N32 Ni4 O8 -","4","0.5","","Sekar, Pandiaraj; Vasanthakumar, Punitharaj; Shanmugam, Ramasamy; Senthil Kumar, Shanmugam; Agnoli, Stefano; Deepak, Rajasekharan Jayakumari; Murugan, Karthik; Bhuvanesh, Nattamai; Karvembu, Ramasamy","Green synthesis of a redox-active riboflavin-integrated Ni-MOF and its versatile electrocatalytic applications towards oxygen evolution and reduction, and HMF oxidation reactions","Green Chemistry","2022","24","23","9233","9244","10.1039/D2GC02939A","","","0.71073","MoKα","","0.0985","0.0914","","","0.2182","0.2214","","","","","","1.052","","","","has coordinates","280177","2023-01-06","09:41:39",""
"7245731","10.9221","0.0011","11.2501","0.0011","12.3823","0.0011","90","","112.92","0.003","90","","1401.4","0.2","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N4 O -","- C17 H14 N4 O -","- C68 H56 N16 O4 -","4","0.5","","Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions","RSC Advances","2022","12","47","30712","30721","10.1039/D2RA05849A","","","0.71073","MoKα","","0.0532","0.0452","","","0.1272","0.1381","","","","","","1.104","","","","has coordinates","278848","2022-10-28","01:22:18",""
"7245732","7.8514","0.0007","8.4149","0.0007","13.4259","0.0012","100.609","0.003","105.51","0.003","95.703","0.003","829.71","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Br2 N4 -","- C17 H14 Br2 N4 -","- C34 H28 Br4 N8 -","2","1","","Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions","RSC Advances","2022","12","47","30712","30721","10.1039/D2RA05849A","","","0.71073","MoKα","","0.0657","0.0425","","","0.0978","0.1074","","","","","","1.047","","","","has coordinates","278848","2022-10-28","01:22:20",""
"7245733","8.596","0.002","10.119","0.002","12.532","0.003","97.262","0.011","105.219","0.011","111.17","0.011","950.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Cl Cu N2 O6.5 -","- C17 H15 Cl Cu N2 O6.5 -","- C34 H30 Cl2 Cu2 N4 O13 -","2","1","","Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.","Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity","RSC Advances","2022","12","47","30722","30733","10.1039/D2RA04813B","","","0.71073","MoKα","","0.0671","0.0463","","","0.1439","0.1647","","","","","","1.082","","","","has coordinates","278849","2022-10-28","01:23:32",""
"7245734","10.16","0.0012","9.5194","0.001","20.454","0.003","90","","102.925","0.007","90","","1928.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl Cu N4 O6 -","- C19 H15 Cl Cu N4 O6 -","- C76 H60 Cl4 Cu4 N16 O24 -","4","1","","Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.","Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity","RSC Advances","2022","12","47","30722","30733","10.1039/D2RA04813B","","","0.71073","MoKα","","0.083","0.0559","","","0.1479","0.1649","","","","","","1.081","","","","has coordinates","278849","2022-10-28","01:23:35",""
"7245735","7.0452","0.0009","9.2637","0.0012","23.462","0.004","90","","90.102","0.002","90","","1531.2","0.4","140","","140","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.0822","0.0506","","","0.1114","0.133","","","","","","1.021","","","","has coordinates","278850","2022-10-28","01:24:11",""
"7245736","18.473","0.002","6.0831","0.0006","19.451","0.002","90","","100.583","0.006","90","","2148.6","0.4","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.1303","0.0617","","","0.1386","0.1769","","","","","","1.033","","","","has coordinates","278851","2022-10-28","01:24:57",""
"7245737","22.8147","0.0012","22.8147","0.0012","10.5217","0.0007","90","","90","","120","","4742.9","0.5","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C198 H252 N18 O18 -","9","0.5","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.1042","0.0565","","","0.1309","0.1559","","","","","","1.02","","","","has coordinates","278851","2022-10-28","01:24:57",""
"7245738","5.985309","0.000027","5.985309","","3.52072","0.00005","90","","90","","120","","109.228","0.0016","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Eu0.02 F Na0.53 Y0.45 -","- Eu0.0216667 F Na0.533333 Y0.445 -","- Eu0.13 F6 Na3.2 Y2.67 -","6","0.5","","Ling, Shaokun; Chen, Chang; Meng, Kai; Yan, Yifeng; Ming, Junyun; Liao, Sen; Huang, Yingheng","A crystal defect led zero thermal quenching β-NaYF4 : Eu3+,Dy3+ red emitting phosphor","RSC Advances","2022","12","47","30803","30816","10.1039/D2RA05674G","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates","278852","2022-10-28","01:25:32",""
"7245740","19.4896","0.0006","9.8579","0.0003","23.1307","0.0007","90","","90.091","0.003","90","","4444","0.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C112 H224 Eu4 K4 N48 O96 -","4","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.035","0.0293","","","0.0717","0.0743","","","","","","1.106","","","","has coordinates","278884","2022-11-01","08:47:32",""
"7245741","9.7896","0.0005","9.8968","0.0005","12.608","0.0011","67.444","0.006","89.728","0.005","89.703","0.004","1128.07","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","1","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0268","0.0268","","","0.066","0.066","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245742","23.6915","0.0011","9.7624","0.0003","9.9066","0.0004","90","","90","","90","","2291.26","0.16","313","2","313","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C28 H56 Eu K N12 O24 -","- C26 Eu K N14 O24 -","- C52 Eu2 K2 N28 O48 -","2","0.25","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0654","0.0549","","","0.1426","0.1523","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245743","11.0146","0.0006","13.1035","0.0006","6.7957","0.0004","90","","103.571","0.006","90","","953.44","0.09","295.1","0.1","295.1","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C25 H14 N4 -","- C25 H14 N4 -","- C50 H28 N8 -","2","0.25","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0493","0.0412","","","0.1185","0.1274","","","","","","1.075","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245744","6.7631","0.0011","8.0049","0.0016","9.0066","0.0011","99.642","0.013","97.616","0.011","100.727","0.015","465.52","0.14","293.39","0.1","293.39","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 O -","- C24 H12 N4 O -","- C24 H12 N4 O -","1","0.5","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0665","0.0543","","","0.1622","0.1672","","","","","","1.2","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245745","6.8406","0.0001","8.914","0.0002","16.3304","0.0003","100.164","0.002","98.574","0.002","98.373","0.002","953.96","0.03","295.07","0.17","295.07","0.17","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 S -","- C24 H12 N4 S -","- C48 H24 N8 S2 -","2","1","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0796","0.0714","","","0.2023","0.2094","","","","","","1.063","","","","has coordinates","278885","2022-11-01","08:48:22",""
"7245746","16.6281","0.0013","6.4734","0.0004","11.5542","0.0009","90","","103.171","0.003","90","","1210.98","0.15","200","2","200","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cl N O -","- C11 H22 Cl N O -","- C44 H88 Cl4 N4 O4 -","4","1","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","0.71073","MoKα","","0.0617","0.0446","","","0.1083","0.1228","","","","","","1.039","","","","has coordinates","278896","2022-11-01","11:44:15",""
"7245747","12.2381","0.0005","11.7529","0.0006","10.0683","0.0004","90","","105.123","0.003","90","","1398","0.11","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","1.54178","CuKα","","0.0629","0.0463","","","0.0994","0.109","","","","","","1.057","","","","has coordinates,has disorder","278896","2022-11-01","11:44:15",""
"7245748","16.5645","0.0008","6.4393","0.0003","11.5062","0.0005","90.714","0.001","102.949","0.002","90.789","0.002","1195.82","0.1","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C11 H22 Cl N O -","- C11 H22 Cl N O -","- C44 H88 Cl4 N4 O4 -","4","2","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","1.54178","CuKα","","0.042","0.0397","","","0.1121","0.1146","","","","","","1.077","","","","has coordinates","278896","2022-11-01","11:44:15",""
"7245749","16.5095","0.0007","16.5095","0.0007","24.5306","0.0018","90","","90","","120","","5790.4","0.5","173","","173","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C60 H28 O33 Zn6 -","- C60 H27.9997 O32.9999 Zn6 -","- C120 H55.9994 O65.9998 Zn12 -","2","0.333333","","Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng","A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01399A","","","0.71073","MoKα","","0.1441","0.0983","","","0.2551","0.2831","","","","","","0.901","","","","has coordinates,has disorder","278905","2022-11-01","23:32:55",""
"7245750","9.7289","0.0002","13.9219","0.0002","8.9307","0.0002","90","","113.773","0.001","90","","1106.98","0.04","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","","0.71073","MoKα","","0.0118","0.0111","","","0.0264","0.0267","","","","","","1.106","","","","has coordinates","278935","2022-11-03","23:36:45",""
"7245751","9.8864","0.0004","14.1043","0.0004","9.0106","0.0003","90","","113.211","0.005","90","","1154.75","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","x-ray","0.71073","MoKα","","0.0382","0.0256","","","0.0402","0.0422","","","","","","1.05","","","","has coordinates","278935","2022-11-03","23:36:54",""
"7245752","9.589","0.002","12.661","0.003","11.779","0.003","90","","90","","90","","1430","0.6","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Fmoc-b-cyclopropyl-(S)-Ala-OH","(2S)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","0.71073","MoKα","","0.0586","0.0533","","","0.1336","0.1381","","","","","","1.013","","","","has coordinates","278944","2022-11-04","23:34:25",""
"7245753","7.49868","0.00019","8.0934","0.0002","9.4854","0.0002","83.844","0.002","73.807","0.002","69.194","0.003","516.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(cyclopropylmethyl)-2-acetamidopropanedioic acid","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C18 H26 N2 O10 -","2","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0286","0.0282","","","0.0716","0.0719","","","","","","1.056","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245754","24.533","0.0002","5.04577","0.00004","30.1674","0.0003","90","","109.516","0.001","90","","3519.82","0.06","100","0.1","100.15","","","","","","","","","4","I 1 2 1","I 2y","5","","diethyl 2-acetamido-2-(cyclopropylmethyl)malonate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C168 H168 N8 O32 -","8","2","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0267","0.0254","","","0.0648","0.0655","","","","","","1.037","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245755","13.7292","0.0001","10.9084","0.0001","14.8292","0.0001","90","","90","","90","","2220.87","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[Ac-b-cyclopropyl-(R,S)-Ala-OH], 2-(cyclopropylmethyl)-2-acetamidopropanedioic acid hydrate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0306","0.0294","","","0.0781","0.0789","","","","","","1.055","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245756","14.6622","0.0001","11.4293","0.0001","21.6168","0.0001","90","","90.601","0.001","90","","3622.32","0.04","100","0.5","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-acetamido-3-cyclopropylpropanoic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C128 H208 N16 O48 -","16","4","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0367","0.0353","","","0.0921","0.0931","","","","","","1.048","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245757","11.5142","0.0012","7.0317","0.0006","17.2789","0.0016","90","","92.127","0.008","90","","1398","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs Ga H4 K Na O15.5 -","- B7 Cs Ga H4 K Na O15.5 -","- B28 Cs4 Ga4 H16 K4 Na4 O62 -","4","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0536","0.0474","","","0.1336","0.1382","","","","","","1.076","","","","has coordinates,has disorder","278945","2022-11-04","23:35:21",""
"7245758","7.0328","0.0005","10.1025","0.0008","10.5133","0.0009","102.48","0.007","102.285","0.006","99.917","0.006","693.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Al B7 H3 K2.5 Na0.5 O15 -","- Al B7 H3 K2.5 Na0.5 O15 -","- Al2 B14 H6 K5 Na O30 -","2","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0516","0.0461","","","0.1387","0.1425","","","","","","1.099","","","","has coordinates","278945","2022-11-04","23:35:21",""
"7245759","10.643","0.0009","20.641","0.0017","21.2421","0.0019","78.757","0.004","82.776","0.006","79.647","0.006","4482.5","0.7","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C146 H102 Cl6 F72 Gd4 N20 O32 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0972","0.0799","","","0.2352","0.2455","","","","","","1.066","","","","has coordinates","278954","2022-11-05","23:32:41",""
"7245760","10.656","0.002","20.604","0.004","21.217","0.004","78.76","0.03","82.87","0.03","79.65","0.03","4475.4","1.6","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C146 H102 Cl6 F72 N20 O32 Tb4 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0852","0.0599","","","0.1508","0.1785","","","","","","1.024","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245761","17.054","0.002","20.134","0.002","17.469","0.002","90","","104.342","0.002","90","","5811.3","1.1","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cu F30 N5 O12 Tb -","- C46 H27 Cu F30 N5 O12 Tb -","- C184 H108 Cu4 F120 N20 O48 Tb4 -","4","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.1208","0.0625","","","0.1131","0.1383","","","","","","1.076","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245762","8.3612","0.0002","9.7442","0.0002","10.6475","0.0002","65.818","0.001","86.321","0.001","79.417","0.001","777.84","0.03","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C38 H34 N6 S2 -","2","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","1.54178","CuKα","","0.0503","0.0466","","","0.1197","0.1229","","","","","","1.099","","","","has coordinates,has disorder","280176","2023-01-06","09:41:17",""
"7245763","6.3317","0.0002","10.0072","0.0003","29.5714","0.0008","90","","92.36","0.002","90","","1872.13","0.1","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N3 -","- C22 H20 Br N3 -","- C88 H80 Br4 N12 -","4","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","1.54178","CuKα","","0.0543","0.0417","","","0.1057","0.1127","","","","","","1.044","","","","has coordinates","280176","2023-01-06","09:41:17",""
"7245764","8.365","0.004","10.655","0.005","10.809","0.005","115.055","0.014","99.78","0.014","98.016","0.015","835.6","0.7","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","1","","Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin","Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines","Green Chemistry","2022","24","24","9482","9488","10.1039/D2GC03464F","","","0.71073","MoKα","","0.0676","0.047","","","0.1198","0.1352","","","","","","1.033","","","","has coordinates","280176","2023-01-06","09:41:17",""
"7245765","15.7981","0.0013","16.2656","0.0014","22.388","0.002","90","","90","","90","","5752.9","0.9","296","2","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H29.5 Cd N3.5 O11 -","- C28 H29.5 Cd N3.5 O11 -","- C224 H236 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.1462","0.0867","","","0.2523","0.2929","","","","","","1.066","","","","has coordinates","279041","2022-11-07","23:34:27",""
"7245766","15.6608","0.0014","16.669","0.0015","22.238","0.002","90","","90","","90","","5805.2","0.9","296.15","","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H22 Cd N3.5 O11 -","- C26 H22 Cd N3.5 O11 -","- C208 H176 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.0922","0.0678","","","0.2119","0.2448","","","","","","1.066","","","","has coordinates,has disorder","279041","2022-11-07","23:34:27",""
"7245767","9.4569","0.0011","9.3238","0.0011","13.6224","0.0016","90","","106.127","0.008","90","","1153.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 O3 -","- C12 H8 N6 O3 -","- C48 H32 N24 O12 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","","0.71073","MoKα","","0.0814","0.0394","","","0.0791","0.0954","","","","","","1.021","","","","has coordinates","279042","2022-11-07","23:35:52",""
"7245768","13.5498","0.0002","14.6671","0.0002","17.4729","0.0003","75.573","0.001","81.545","0.001","73.268","0.002","3209.98","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Dy N21 O14 -","- C54 H70 Dy N21 O11 -","- C108 H140 Dy2 N42 O22 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0514","0.0476","","","0.1184","0.1201","","","","","","1.067","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245769","22.56781","0.00018","12.14163","0.0001","23.5494","0.0002","90","","101.893","0.0009","90","","6314.26","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Dy2 N21 O16 -","- C39 H25 Dy2 N19 O11 -","- C156 H100 Dy8 N76 O44 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0552","0.0502","","","0.1259","0.1286","","","","","","1.046","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245770","14.5277","0.0002","19.59","0.0003","24.9631","0.0004","85.482","0.001","76.15","0.001","75.698","0.001","6682.64","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C115 H165 Dy4 N45 O29 -","- C115 H163 Dy4 N45 O28 -","- C230 H326 Dy8 N90 O56 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0877","0.0707","","","0.1549","0.1635","","","","","","1.042","","","","has coordinates,has disorder","279042","2022-11-07","23:35:53",""
"7245771","6.4345","0.0005","9.3017","0.0007","11.9277","0.0009","76.64","0.002","84.469","0.003","81.237","0.002","685.08","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N13 O3 -","- C7 H13 N13 O3 -","- C14 H26 N26 O6 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0546","0.0387","","","0.0953","0.1036","","","","","","1.041","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245772","7.3452","0.0003","7.7532","0.0004","13.116","0.0006","81.172","0.002","87.255","0.002","80.148","0.002","727.03","0.06","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 N12 O4 S -","- C7 H12 N12 O4 S -","- C14 H24 N24 O8 S2 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0487","0.0361","","","0.0819","0.091","","","","","","1.048","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245773","26.47","0.003","7.695","0.0007","5.4985","0.0005","90","","90","","90","","1119.97","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","2","","Xie, Linfang; Hou, Shuai; Yu, Fapeng; Zhao, Xian","Single crystal growth and piezoelectric features of the Ca2Nb2O7 crystal with orthorhombic symmetry","CrystEngComm","2022","","","","","10.1039/D2CE01286C","","","0.71069","MoKα","","0.0268","0.0208","","","0.0489","0.0525","","","","","","1.023","","","","has coordinates","279122","2022-11-08","23:37:05",""
"7245774","10.775","0.002","6.069","0.0012","24.422","0.005","90","","91.36","0.03","90","","1596.6","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0589","0.0554","","","0.1562","0.161","","","","","","1.058","","","","has coordinates","279162","2022-11-09","23:38:28",""
"7245775","9.975","0.002","22.42","0.005","7.849","0.0016","90","","91.42","0.03","90","","1754.8","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0643","0.0499","","","0.1265","0.1348","","","","","","1.065","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245776","8.142","0.0016","10.456","0.002","11.064","0.002","77.3","0.03","86.19","0.03","71.59","0.03","871.8","0.3","220","2","220","2","","","","","","","","4","P -1","-P 1","2","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0632","0.0486","","","0.1405","0.1472","","","","","","1.087","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245777","14.801","0.003","13.758","0.003","9.129","0.0018","90","","107.9","0.03","90","","1769","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.65","synchrotron","","0.0816","0.0596","","","0.1877","0.1997","","","","","","1.109","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245778","20.599","0.004","7.298","0.0015","24.505","0.005","90","","104.72","0.03","90","","3563","1.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0584","0.0534","","","0.1591","0.1633","","","","","","1.051","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245779","12.462","0.003","8.131","0.0016","21.551","0.004","90","","104.18","0.03","90","","2117.2","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0824","0.0733","","","0.246","0.2547","","","","","","1.116","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245780","13.9435","0.0008","20.0147","0.0012","17.2063","0.0011","90","","93.972","0.002","90","","4790.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 Cu6 Mn0 Mo18 N12 O67 Si -","- C60 Cu6 Mo18 N12 O67 Si -","- C120 Cu12 Mo36 N24 O134 Si2 -","2","0.5","","Wang, Peisen; Chishti, Aadil Nabi; Chen, Peng; Lv, Zengxiang; Tan, Yaya; Zhang, Hanzhi; Zha, Junjie; Ma, Zhiyuan; Ni, Lubin; Zhang, Lu-nan; Wei, Yongge","A Keggin-type polyoxomolybdate-based crystalline material formed by hydrothermal transformation: photo/electro-catalytic properties and mechanism study","CrystEngComm","2022","","","","","10.1039/D2CE01301K","","","0.71073","MoKα","","0.0766","0.0674","","","0.1617","0.1665","","","","","","1.156","","","","has coordinates,has disorder","279163","2022-11-09","23:39:10",""
"7245781","16.8316","0.0004","14.7115","0.0004","20.1791","0.0006","90","","93.4","0.001","90","","4987.9","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe H30 N15 O15 -","- Fe H30 N15 O15 -","- Fe8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.07","0.042","","","0.1167","0.1375","","","","","","1.019","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245782","16.7321","0.0008","14.5671","0.0006","20.0005","0.0007","90","","92.771","0.002","90","","4869.2","0.4","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al H30 N15 O15 -","- Al H30 N15 O15 -","- Al8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.0904","0.0599","","","0.1426","0.1611","","","","","","1.08","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245783","7.67","0.0008","9.0452","0.001","11.0423","0.001","108.104","0.009","96.967","0.009","110.004","0.01","661.63","0.14","121","0.4","121","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","1","0.5","","Jabeur, Wiem; Msalmi, Rawia; Korb, Marcus; Hassen, Fredj; Guesmi, Ahlem; Houas, Ammar; Ben Hamadi , Naoufel; Naïli, Houcine","Excitation dependent white and red-NIR emission of MnII-based complex","CrystEngComm","2022","","","","","10.1039/D2CE01138G","","","0.71073","MoKα","","0.0453","0.04","","","0.0996","0.1049","","","","","","1.066","","","","has coordinates","279165","2022-11-09","23:40:14",""
"7245785","7.5403","0.0012","8.1374","0.0015","9.21","0.0011","92.107","0.012","94.692","0.012","112.19","0.016","520.1","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H13 N3 O5 S -","- C6 H13 N3 O5 S -","- C12 H26 N6 O10 S2 -","2","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0897","0.0789","","","0.2557","0.2675","","","","","","1.189","","","","has coordinates","279218","2022-11-10","23:42:41",""
"7245786","7.6827","0.0002","16.9136","0.0006","21.7131","0.0006","90","","90","","90","","2821.45","0.15","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N6 O8 S2 -","- C22 H38 N6 O8 S2 -","- C88 H152 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0448","0.0406","","","0.0995","0.1022","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245787","8.32784","0.00012","14.8045","0.0002","21.3026","0.0003","90","","90","","90","","2626.39","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O7 S2 -","- C22 H32 N6 O7 S2 -","- C88 H128 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0432","0.0424","","","0.113","0.114","","","","","","1.034","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245788","14.2509","0.0003","12.4242","0.0003","18.4753","0.0005","90","","90","","90","","3271.16","0.14","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O6 S -","- C14 H17 N3 O6 S -","- C112 H136 N24 O48 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0663","0.0574","","","0.1448","0.1535","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245789","8.0559","0.0003","21.6299","0.0006","7.2362","0.0002","90","","90","","90","","1260.9","0.07","150","0.1","150","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","1","0.25","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54178","CuKα","","0.0779","0.0718","","","0.2083","0.2208","","","","","","1.137","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245790","13.0691","0.0009","12.2502","0.0009","19.5115","0.0018","90","","90","","90","","3123.8","0.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 N7 O6 S2 -","- C24 H37 N7 O6 S2 -","- C96 H148 N28 O24 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0853","0.0577","","","0.1445","0.1674","","","","","","1.056","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245791","13.0361","0.0003","12.2207","0.0002","19.6245","0.0004","90","","90","","90","","3126.38","0.11","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N6 O8 S2 -","- C24 H33 N6 O8 S2 -","- C96 H132 N24 O32 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0869","0.0793","","","0.2495","0.2628","","","","","","1.108","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245792","13.9018","0.0007","12.5517","0.0006","18.8575","0.0008","90","","90","","90","","3290.5","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C112 H160 N32 O24 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0371","0.0324","","","0.0823","0.0851","","","","","","1.058","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245793","9.5807","0.0002","15.5281","0.0003","21.0679","0.0004","90","","90","","90","","3134.27","0.11","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 O8 S2 -","- C24 H40 N6 O8 S2 -","- C96 H160 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.042","0.0364","","","0.0905","0.0944","","","","","","1.033","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245795","8.5887","0.0008","10.3821","0.001","10.6032","0.0008","96.304","0.007","112.149","0.008","105.649","0.008","819.19","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Weng, Zhibing; Zhou, Ying; Yue, Xin; Jiang, Feng; Guo, Wengang","Regioselective α-addition of vinylogous α-ketoester enolate in organocatalytic asymmetric Michael reactions: enantioselective synthesis of Rauhut–Currier type products","RSC Advances","2022","12","49","32056","32060","10.1039/D2RA06416B","","","0.71073","MoKα","","0.0994","0.0529","","","0.1111","0.1354","","","","","","1.063","","","","has coordinates","279224","2022-11-11","02:19:53",""
"7245796","10.638","0.004","17.168","0.007","18.399","0.005","90","","120.573","0.016","90","","2893.1","1.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl2 N O4 Sn -","- C29 H31 Cl2 N O4 Sn -","- C116 H124 Cl8 N4 O16 Sn4 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0383","0.0314","","","0.0821","0.0875","","","","","","1.061","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245797","10.7412","0.0005","12.9279","0.0007","19.3249","0.0012","90","","90","","90","","2683.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H43 N5 Ni O11 -","- C15 H43 N5 Ni O11 -","- C60 H172 N20 Ni4 O44 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0648","0.0431","","","0.0879","0.0995","","","","","","1.057","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245798","4.96","0.0002","22.0851","0.0009","8.5898","0.0004","90","","98.147","0.001","90","","931.45","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Cu N2 O6 -","- C14 H32 Cu N2 O6 -","- C28 H64 Cu2 N4 O12 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0255","0.0232","","","0.0498","0.0512","","","","","","1.024","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245799","14.3688","0.0011","16.6075","0.0014","24.609","0.002","90","","90","","90","","5872.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Cl6 Co3 N6 O6 -","- C48 H66 Cl6 Co3 N6 O6 -","- C192 H264 Cl24 Co12 N24 O24 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1363","0.0961","","","0.261","0.304","","","","","","1.06","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245800","10.264","0.003","9.025","0.003","15.089","0.006","90","","91.457","0.011","90","","1397.3","0.8","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl3 N3 O3 Zn2 -","- C24 H32 Cl3 N3 O3 Zn2 -","- C48 H64 Cl6 N6 O6 Zn4 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1161","0.0721","","","0.1713","0.1974","","","","","","1.03","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245801","24.516","0.0011","13.4214","0.0006","17.9973","0.0006","90","","109.287","0.001","90","","5589.5","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H98 Co3 N6 O17.5 -","- C36 H98 Co3 N6 O17.5 -","- C144 H392 Co12 N24 O70 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0845","0.054","","","0.1307","0.1515","","","","","","1.03","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245802","9.134","0.0008","15.3961","0.0013","28.66","0.003","90","","90","","90","","4030.4","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Cl2 Cu2 N4 O13 -","- C32 H43 Cl2 Cu2 N4 O13 -","- C128 H172 Cl8 Cu8 N16 O52 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","1.34138","GaKα","","0.1088","0.0909","","","0.2565","0.2746","","","","","","1.029","","","","has coordinates","279226","2022-11-11","02:22:09",""
"7245803","11.3519","0.0012","14.6691","0.0013","16.658","0.0016","90","","90","","90","","2773.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 Cl2 N3 O3 Zn -","- C18 H45 Cl2 N3 O3 Zn -","- C72 H180 Cl8 N12 O12 Zn4 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0935","0.0514","","","0.1076","0.1299","","","","","","1.026","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245804","9.3636","0.0004","11.4375","0.0005","13.7029","0.0006","108.892","0.004","90.756","0.004","111.651","0.004","1275.75","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C58 H56 N4 O12 -","2","1","","Chen, Zuliang; Yan, Keyi; Luo, Hui; Yan, Jun; Zeng, Yang","Lewis acid-catalyzed [4 + 2] cycloaddition of donor–acceptor cyclobutanes with iminooxindoles: access to spiro[piperidine-3,2′-oxindoles]","RSC Advances","2022","12","49","32097","32101","10.1039/D2RA04730F","","x-ray","0.71073","MoKα","","0.0544","0.0429","","","0.0944","0.1018","","","","","","1.03","","","","has coordinates","279227","2022-11-11","02:23:05",""
"7245805","8.279","0.0005","8.808","0.0005","10.5654","0.0006","110.521","0.005","98.07","0.005","95.404","0.005","705.82","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 F2 N2 O3 -","- C14 H16 F2 N2 O3 -","- C28 H32 F4 N4 O6 -","2","1","","Lu, Yang; Sun, Mingming; Xi, Ning","Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts","RSC Advances","2022","12","49","32082","32096","10.1039/D2RA06660B","","","1.54178","CuKα","","0.0643","0.0549","","","0.1504","0.1617","","","","","","1.042","","","","has coordinates","279228","2022-11-11","02:23:37",""
"7245806","10.7705","0.0004","9.1548","0.0003","12.1836","0.0005","90","","108.428","0.004","90","","1139.72","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F2 N2 O5 -","- C11 H8 F2 N2 O5 -","- C44 H32 F8 N8 O20 -","4","1","","Lu, Yang; Sun, Mingming; Xi, Ning","Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts","RSC Advances","2022","12","49","32082","32096","10.1039/D2RA06660B","","","1.54178","CuKα","","0.06","0.0502","","","0.126","0.1398","","","","","","1.073","","","","has coordinates","279228","2022-11-11","02:23:38",""
"7245807","12.878","0.003","20.372","0.005","12.609","0.005","90","","106.828","0.006","90","","3166.3","1.7","296","2","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H76 N26 O34 P2 -","- C44 H75 N26 O34 P2 -","- C88 H150 N52 O68 P4 -","2","0.25","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0556","0.0394","","","0.1031","0.1126","","","","","","1.042","","","","has coordinates,has disorder","279238","2022-11-11","23:46:12",""
"7245808","13.001","0.004","14.691","0.004","21.03","0.006","72.765","0.007","76.725","0.007","68.8","0.007","3542.7","1.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 Ca Cl3 N25 O35 -","- C42 H60 Ca Cl3 N25 O19 -","- C84 H120 Ca2 Cl6 N50 O38 -","2","1","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0983","0.0698","","","0.1809","0.1972","","","","","","1.04","","","","has coordinates","279238","2022-11-11","23:46:12",""
"7245809","24.6321","0.0002","12.5688","0.0001","18.427","0.0001","90","","104.232","0.001","90","","5529.83","0.07","300.69","0.1","300.69","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O15 Tb Zn -","- C25 H23 N4 O15 Tb Zn -","- C200 H184 N32 O120 Tb8 Zn8 -","8","1","","Wu, Nan; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming","Heterometallic organic framework: A highly selective functional probe for carmine and TNP molecules","CrystEngComm","2022","","","","","10.1039/D2CE01417C","","x-ray","1.54184","CuKα","","0.0238","0.0222","","","0.0593","0.0604","","","","","","1.04","","","","has coordinates","279270","2022-11-14","23:44:52",""
"7245810","4.0263","0.0003","4.0263","0.0003","15.066","0.002","90","","90","","120","","211.51","0.04","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Ni2 Si -","- La Ni2 Si -","- La3 Ni6 Si3 -","3","0.0833333","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.014","0.0113","","","0.0334","0.0335","","","","","","1.238","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245811","6.8789","0.0007","6.2167","0.0003","12.214","0.001","90","","90.92","0.01","90","","522.25","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La2 Ni3 Si2 -","- La2 Ni3 Si2 -","- La8 Ni12 Si8 -","4","1","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.0572","0.0318","","","0.0597","0.0637","","","","","","0.92","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245812","7.501","0.002","14.316","0.004","6.1485","0.0016","90","","90","","90","","660.3","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La3 Ni3 Si2 -","- La3 Ni3 Si2 -","- La12 Ni12 Si8 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0216","0.0214","","","0.0546","0.0547","","","","","","1.249","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245813","6.0659","0.001","7.4882","0.0012","29.682","0.005","90","","90","","90","","1348.2","0.4","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- La6 Ni7 Si4 -","- La6 Ni7 Si4 -","- La24 Ni28 Si16 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0468","0.0287","","","0.049","0.0532","","","","","","0.923","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245814","9.8826","0.0009","11.1554","0.001","13.9347","0.0012","109.747","0.003","95.52","0.002","96.847","0.002","1420.2","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0307","0.0306","","","0.0818","0.0819","","","","","","1.044","","","","has coordinates,has disorder","279272","2022-11-14","23:49:42",""
"7245815","10.3817","0.0007","10.4095","0.0007","13.8631","0.001","81.397","0.004","70.936","0.004","89.265","0.004","1399.02","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Eu N3 O11 -","- C24 H34 Eu N3 O11 -","- C48 H68 Eu2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0516","0.0467","","","0.1251","0.1289","","","","","","1.09","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245816","9.9056","0.001","11.1381","0.0011","13.9162","0.0014","109.803","0.003","95.425","0.003","96.535","0.004","1420.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 Nd O11 -","- C24 H34 N3 Nd O11 -","- C48 H68 N6 Nd2 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0386","0.0377","","","0.1047","0.1058","","","","","","1.109","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245817","9.908","0.0016","11.1776","0.0018","13.939","0.002","109.534","0.004","95.57","0.004","96.701","0.005","1429.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Ce N3 O11 -","- C24 H34 Ce N3 O11 -","- C48 H68 Ce2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0398","0.0391","","","0.1092","0.1099","","","","","","1.039","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245818","10.3633","0.0008","10.4061","0.0008","13.8433","0.001","81.375","0.003","70.977","0.003","89.188","0.003","1394.43","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Gd N3 O11 -","- C24 H34 Gd N3 O11 -","- C48 H68 Gd2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0231","0.0222","","","0.0594","0.0599","","","","","","1.083","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245819","10.0371","0.0003","11.144","0.0003","14.0248","0.0008","109.464","0.003","94.951","0.003","96.101","0.001","1458.25","0.11","296.15","","296.15","","","","2500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0363","0.0324","","","0.0804","0.0833","","","","","","1.019","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245820","9.8824","0.0004","10.0039","0.0004","13.3049","0.0009","98.203","0.004","111.376","0.004","91.257","0.002","1208.43","0.11","293","","293","","","","3500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0244","0.0216","","","0.0502","0.0512","","","","","","1.074","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245821","10.4991","0.0013","10.5703","0.0013","13.8816","0.0017","83.999","0.005","71.592","0.006","89.746","0.005","1453.1","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0567","0.0535","","","0.1506","0.1533","","","","","","1.111","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245822","10.3607","0.0008","10.4017","0.0008","13.8104","0.001","81.551","0.003","71.01","0.004","89.16","0.003","1391.18","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0281","0.0265","","","0.0719","0.0728","","","","","","1.116","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245823","10.3582","0.0008","10.4047","0.0008","13.799","0.0011","81.692","0.003","71.113","0.003","89.156","0.003","1391.52","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Dy N3 O11 -","- C24 H34 Dy N3 O11 -","- C48 H68 Dy2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0415","0.0402","","","0.108","0.1091","","","","","","1.072","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245824","10.0678","0.0011","11.1512","0.0012","14.0297","0.0015","109.416","0.003","95.138","0.003","95.947","0.003","1464.6","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.042","0.0411","","","0.1136","0.1146","","","","","","1.084","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245825","9.8113","0.0006","9.914","0.001","13.2568","0.0008","81.104","0.007","68.313","0.003","88.342","0.007","1183.23","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0396","0.0303","","","0.0589","0.062","","","","","","1.041","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245827","12.0911","0.0003","13.1217","0.0003","15.7545","0.0004","87.774","0.001","85.421","0.001","89.485","0.001","2489.64","0.11","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B Cl P -","- C29 H35 B Cl P -","- C116 H140 B4 Cl4 P4 -","4","2","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides","RSC Advances","2022","12","50","32440","32447","10.1039/D2RA06358A","","","1.54178","CuKα","","0.0361","0.0331","","","0.0887","0.091","","","","","","1.038","","","","has coordinates","279278","2022-11-15","02:35:21",""
"7245828","10.031","0.0003","12.2645","0.0004","12.4476","0.0004","69.305","0.001","66.304","0.001","73.148","0.001","1292.08","0.07","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 B Br0.5 O P -","- C29 H37 B Br0.5 O P -","- C58 H74 B2 Br O2 P2 -","2","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides","RSC Advances","2022","12","50","32440","32447","10.1039/D2RA06358A","","","0.71073","MoKα","","0.0444","0.0349","","","0.1011","0.1055","","","","","","1.085","","","","has coordinates","279278","2022-11-15","02:35:22",""
"7245829","10.5716","0.0007","7.2583","0.0004","26.5198","0.0014","90","","93.924","0.006","90","","2030.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 Ni S4 -","- C16 H15 N6 Ni S4 -","- C64 H60 N24 Ni4 S16 -","4","1","","Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.","Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity","RSC Advances","2022","12","50","32475","32479","10.1039/D2RA05947A","","x-ray","0.71073","MoKα","","0.0388","0.0309","","","0.06","0.0644","","","","","","1.032","","","","has coordinates","279279","2022-11-15","02:35:55",""
"7245830","10.7039","0.0005","7.4586","0.0004","26.8087","0.0014","90","","93.095","0.002","90","","2137.18","0.19","353","2","353","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 Ni S4 -","- C16 H15 N6 Ni S4 -","- C64 H60 N24 Ni4 S16 -","4","1","","Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.","Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity","RSC Advances","2022","12","50","32475","32479","10.1039/D2RA05947A","","","0.71073","MoKα","","0.0878","0.0411","","","0.0867","0.101","","","","","","1.001","","","","has coordinates","279279","2022-11-15","02:35:56",""
"7245831","6.17726","0.00017","8.7053","0.0002","17.7126","0.0005","90","","100.039","0.003","90","","937.91","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl6 Ga2 N2 -","- C12 H12 Cl6 Ga2 N2 -","- C24 H24 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54184","CuKα","","0.0187","0.0167","","","0.0431","0.0437","","","","","","1.055","","","","has coordinates","279300","2022-11-15","23:33:30",""
"7245832","10.04888","0.00013","10.04888","0.00013","24.976","0.0005","90","","90","","120","","2184.18","0.06","90","2","90","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H24 Al2 Cl6 N4 -","- C24 H24 Al2 Cl6 N4 -","- C72 H72 Al6 Cl18 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0336","0.0299","","","0.0742","0.0755","","","","","","1.003","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245833","10.0853","0.0003","10.0853","0.0003","24.8734","0.0008","90","","90","","120","","2191.01","0.12","90","2","90","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H24 Cl6 Ga2 N4 -","- C24 H24 Cl6 Ga2 N4 -","- C72 H72 Cl18 Ga6 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0469","0.0391","","","0.0974","0.1017","","","","","","1.022","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245834","6.47388","0.00017","10.5857","0.0002","14.3038","0.0004","90","","100.461","0.002","90","","963.95","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Cl6 N2 -","- C12 H12 Al2 Cl6 N2 -","- C24 H24 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54178","CuKα","","0.0315","0.0262","","","0.064","0.0652","","","","","","0.946","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245835","11.7677","0.0005","9.7423","0.0007","11.5702","0.0006","90","","107.931","0.005","90","","1262.03","0.13","80","2","80","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 Al Br3 N4 -","- C24 H24 Al Br3 N4 -","- C48 H48 Al2 Br6 N8 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","0.6888","synchrotron","","0.0977","0.0903","","","0.2379","0.2432","","","","","","1.088","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245836","6.39529","0.00014","8.7687","0.0002","18.3104","0.0005","90","","98.845","0.002","90","","1014.61","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br6 Ga2 N2 -","- C12 H12 Br6 Ga2 N2 -","- C24 H24 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0333","0.0255","","","0.0583","0.0598","","","","","","0.951","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245837","6.40978","0.00014","8.7438","0.0002","18.2936","0.0004","90","","98.795","0.002","90","","1013.22","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Br6 N2 -","- C12 H12 Al2 Br6 N2 -","- C24 H24 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0266","0.0247","","","0.0655","0.0667","","","","","","1.067","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245838","10.3077","0.0001","30.5567","0.0003","13.49162","0.00013","90","","99.2974","0.001","90","","4193.62","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H72 Br12 Ga4 N12 -","- C72 H72 Br12 Ga4 N12 -","- C144 H144 Br24 Ga8 N24 -","2","1","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0552","0.0484","","","0.1203","0.1232","","","","","","1.078","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245839","9.7026","0.0012","9.9293","0.0013","12.8415","0.0016","100.645","0.002","99.837","0.002","116.544","0.002","1041.5","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","1","0.5","","Geng, Jun; Lin, Hongyan; Li, Xiaohui; Lu, Junjun; Wang, XiuLi","Improvement of the fluorescent sensing biomarker 3-nitrotyrosine for a new luminescent coordination polymer by size regulation","CrystEngComm","2022","","","","","10.1039/D2CE01397E","","x-ray","0.71073","MoKα","K-L~3~","0.0844","0.0501","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","279301","2022-11-15","23:34:19",""
"7245840","6.19","0.002","8.426","0.003","16.517","0.005","100.248","0.005","96.034","0.005","108.478","0.005","791.9","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 O P S -","- C18 H15 O P S -","- C36 H30 O2 P2 S2 -","2","1","","Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides","RSC Advances","2022","12","50","32350","32354","10.1039/D2RA06351D","","","0.71073","MoKα","","0.0581","0.0429","","","0.1047","0.1128","","","","","","1.017","","","","has coordinates","279306","2022-11-16","02:14:41",""
"7245841","11.482","0.003","6.0814","0.0017","15.777","0.005","90","","99.883","0.005","90","","1085.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O2 P -","- C12 H11 O2 P -","- C48 H44 O8 P4 -","4","1","","Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides","RSC Advances","2022","12","50","32350","32354","10.1039/D2RA06351D","","","0.71073","MoKα","","0.0841","0.0705","","","0.2407","0.2568","","","","","","1.083","","","","has coordinates","279306","2022-11-16","02:14:41",""
"7245848","9.0603","0.0003","12.4451","0.0003","14.3291","0.0005","67.463","0.002","77.461","0.003","81.987","0.002","1453.88","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18.25 H14.5 Cl0.5 N4 -","- C18.25 H14.5 Cl0.5 N4 -","- C73 H58 Cl2 N16 -","4","2","","Hou, Zhilin; Lockwood, Lizbeth; Zhang, Di; Occhiuto, Christopher J.; Mo, Linqing; Aldrich, Kelly E.; Stoub, Hayden E.; Gallo, Kathleen A.; Liby, Karen T.; Odom, Aaron L.","Exploring structural effects in a new class of NRF2 inhibitors","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00211F","","x-ray","1.54184","CuKα","","0.0608","0.052","","","0.1373","0.1434","","","","","","1.058","","","","has coordinates,has disorder","279341","2022-11-17","01:11:17",""
"7245856","6.3684","0.0002","7.8176","0.0002","18.5044","0.0007","90","","90","","90","","921.25","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Pregabalin","(R)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.043","0.0405","","","0.0975","0.0995","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:24",""
"7245857","7.5009","0.0001","7.5581","0.0001","26.1805","0.0003","90","","90","","90","","1484.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (S)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0268","0.0249","","","0.0586","0.0594","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245858","7.4404","0.0001","7.7039","0.0001","25.9566","0.0003","90","","90","","90","","1487.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (R)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0774","0.0778","","","","","","1.109","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245859","6.3444","0.0002","7.8094","0.0003","18.4933","0.0006","90","","90","","90","","916.27","0.05","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin","(S)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245860","10.1307","0.0002","6.3539","0.0001","13.0633","0.0002","90","","95.469","0.002","90","","837.05","0.02","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Phenibut (S)-Mandelic Acid","(R)-3-phenyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0816","0.0824","","","","","","1.068","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245861","6.0517","0.0001","29.8989","0.0005","9.3069","0.0001","90","","92.641","0.001","90","","1682.19","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (S)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0727","0.0733","","","","","","1.048","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245862","6.0771","0.0001","29.9265","0.0005","9.3066","0.0001","90","","92.662","0.001","90","","1690.73","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (R)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.051","0.0497","","","0.119","0.1205","","","","","","1.05","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245863","6.2455","0.0001","27.388","0.0005","9.9624","0.0002","90","","90.462","0.002","90","","1704.03","0.05","99.98","0.13","99.98","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (S)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0493","0.0458","","","0.1156","0.1186","","","","","","1.084","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245864","6.2527","0.0001","27.3848","0.0003","9.9603","0.0001","90","","90.483","0.001","90","","1705.43","0.04","99.97","0.16","99.97","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (R)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0297","0.0278","","","0.0679","0.0689","","","","","","1.035","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245865","8.156","0.002","9.356","0.002","19.728","0.005","101.682","0.005","92.413","0.005","114.101","0.005","1332.5","0.6","294.94","","294.94","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N6 O -","- C31 H28 N6 O -","- C62 H56 N12 O2 -","2","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1508","0.0797","","","0.2034","0.2631","","","","","","1.014","","","","has coordinates,has disorder","279379","2022-11-18","02:26:26",""
"7245866","14.714","0.002","16.279","0.003","7.7182","0.0012","90","","94.98","0.002","90","","1841.8","0.5","296.49","","296.49","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1106","0.0752","","","0.1957","0.234","","","","","","1.058","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245867","11.971","0.014","14.236","0.019","12.823","0.015","90","","101.08","0.04","90","","2145","5","296.33","","296.33","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O -","- C25 H18 N6 O -","- C100 H72 N24 O4 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1189","0.0666","","","0.1563","0.206","","","","","","1.043","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245868","10.4257","0.0014","13.8104","0.0017","16.57","0.002","90","","101.663","0.003","90","","2336.5","0.5","296.86","","296.86","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N6 -","- C27.9998 H21.9996 N6 -","- C111.999 H87.9984 N24 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.0963","0.0604","","","0.1327","0.1641","","","","","","1.053","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245869","10.0883","0.0008","12.467","0.0011","20.6411","0.0018","90","","100.785","0.002","90","","2550.2","0.4","295.94","","295.94","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 O3 -","- C30 H26 N6 O3 -","- C120 H104 N24 O12 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.0913","0.0574","","","0.1366","0.1633","","","","","","1.035","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245872","7.1229","0.0008","12.8851","0.0013","15.0472","0.0015","92.354","0.002","103.338","0.002","91.502","0.002","1341.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(2-(1<i>H</i>-indol-3-yl)ethyl)-4-benzyl-3-hydroxy-3,6- diphenylpiperazine-2,5-dione","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C66 H58 N6 O6 -","2","1","","Li, Jie; Huang, Jiu Hong; Wang, Jing Ya; Xu, Zhi Gang; Chen, Zhong Zhu; Lei, Jie","An intramolecular hydrogen bond-promoted “green” Ugi cascade reaction for the synthesis of 2,5-diketopiperazines with anticancer activity","RSC Advances","2022","12","51","33175","33179","10.1039/D2RA04958A","","","0.71073","MoKα","","0.0466","0.0364","","","0.1009","0.1074","","","","","","0.964","","","","has coordinates","279453","2022-11-22","02:13:20",""
"7245873","13.7533","0.0017","20.0569","0.001","7.505","0.002","90","","90","","90","","2070.2","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Mo N3 O5 -","- C20 H24 Mo N3 O5 -","- C80 H96 Mo4 N12 O20 -","4","1","","Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis","Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)","RSC Advances","2022","12","51","33293","33303","10.1039/D2RA06035C","","","0.71073","MoKα","","0.1107","0.0843","","","0.2843","0.2984","","","","","","1.28","","","","has coordinates","279454","2022-11-22","02:15:10",""
"7245874","7.7042","0.0004","16.2189","0.0008","14.9336","0.0007","90","","102.051","0.002","90","","1824.89","0.16","","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Mo N2 O5 -","- C20 H17 Mo N2 O5 -","- C80 H68 Mo4 N8 O20 -","4","1","","Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis","Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)","RSC Advances","2022","12","51","33293","33303","10.1039/D2RA06035C","","","0.71073","MoKα","","0.0362","0.0264","","","0.0654","0.0703","","","","","","1.0739","","","","has coordinates","279454","2022-11-22","02:15:11",""
"7245891","13.84","0.002","12.1903","0.0018","14.668","0.002","90","","110.697","0.004","90","","2315","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl N7 O10 -","- C4 Cl N7 O10 -","- C32 Cl8 N56 O80 -","8","2","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1089","0.0517","","","0.1041","0.1279","","","","","","0.965","","","","has coordinates,has disorder","279486","2022-11-23","02:23:13",""
"7245892","12.292","0.003","5.0976","0.001","14.985","0.003","90","","97.479","0.006","90","","931","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 O5 -","- C6 H5 Cl N4 O5 -","- C24 H20 Cl4 N16 O20 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0572","0.0423","","","0.1127","0.1221","","","","","","1.057","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245893","15.6313","0.0015","9.2702","0.0008","15.7637","0.0014","90","","98.696","0.003","90","","2258","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C32 H16 N64 O80 -","8","2","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","x-ray","0.71073","MoKα","","0.1056","0.066","","","0.1605","0.1947","","","","","","1.032","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245894","7.6403","0.0009","7.7898","0.0008","11.2231","0.0011","78.002","0.003","80.654","0.003","62.508","0.003","577.88","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 N6 O11 -","- C4 H4 N6 O11 -","- C8 H8 N12 O22 -","2","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0776","0.0537","","","0.1328","0.1465","","","","","","1.021","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245895","13.9214","0.0007","6.9287","0.0003","13.9386","0.0007","90","","114.823","0.002","90","","1220.26","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl N7 O10 -","- C4 Cl N7 O10 -","- C16 Cl4 N28 O40 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0692","0.0611","","","0.1806","0.1872","","","","","","1.089","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245896","4.4834","0.0004","20.756","0.002","9.7107","0.0009","90","","97.924","0.003","90","","895.02","0.14","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N5 O5 -","- C6 H7 N5 O5 -","- C24 H28 N20 O20 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0939","0.0501","","","0.0989","0.1227","","","","","","1.061","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245897","4.0966","0.0008","12.015","0.002","7.3348","0.0015","90","","100.207","0.006","90","","355.31","0.12","170","","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C8 H10 N10 O8 -","2","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1031","0.0509","","","0.0957","0.1209","","","","","","1.039","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245898","8.4799","0.0007","11.5935","0.0009","10.6812","0.0008","90","","93.431","0.003","90","","1048.2","0.14","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 N8 O9 -","- C4 N8 O9 -","- C16 N32 O36 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0778","0.0484","","","0.106","0.1231","","","","","","1.1","","","","has coordinates","279486","2022-11-23","02:23:14",""
"7245899","6.2349","0.0006","19.5174","0.0018","21.975","0.002","90","","90","","90","","2674.1","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N9 O12 -","- C5 H3 N9 O12 -","- C40 H24 N72 O96 -","8","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1281","0.0607","","","0.1246","0.1615","","","","","","1.048","","","","has coordinates,has disorder","279486","2022-11-23","02:23:14",""
"7245907","8.8416","0.0003","12.9176","0.0005","14.099","0.0006","112.907","0.004","93.312","0.003","107.248","0.003","1388.86","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N3 O8 Yb -","- C31 H30 N3 O8 Yb -","- C62 H60 N6 O16 Yb2 -","2","1","","Si, Xuezhen; Pan, Xuze; Xue, Jintang; Yao, Qingxia; Huang, Xianqiang; Duan, Wenzeng; Qiu, Yi; Su, Jie; Cao, Minglei; Li, Jun","Robust acid–base Ln-MOFs: searching for efficient catalysts in cycloaddition of CO2 with epoxides and cascade deacetalization–Knoevenagel reactions","RSC Advances","2022","12","52","33501","33509","10.1039/D2RA06545B","","x-ray","0.71073","MoKα","","0.0442","0.04","","","0.0974","0.1007","","","","","","1.02","","","","has coordinates","279522","2022-11-24","02:11:55",""
"7245908","8.8772","0.0003","12.958","0.0003","14.1742","0.0003","113.037","0.002","93.343","0.002","106.968","0.002","1407.29","0.07","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N3 O8 Tb -","- C31 H30 N3 O8 Tb -","- C62 H60 N6 O16 Tb2 -","2","1","","Si, Xuezhen; Pan, Xuze; Xue, Jintang; Yao, Qingxia; Huang, Xianqiang; Duan, Wenzeng; Qiu, Yi; Su, Jie; Cao, Minglei; Li, Jun","Robust acid–base Ln-MOFs: searching for efficient catalysts in cycloaddition of CO2 with epoxides and cascade deacetalization–Knoevenagel reactions","RSC Advances","2022","12","52","33501","33509","10.1039/D2RA06545B","","x-ray","0.71073","MoKα","","0.0275","0.0249","","","0.0554","0.057","","","","","","1.041","","","","has coordinates","279522","2022-11-24","02:11:56",""
"7245909","15.4709","0.0014","8.1826","0.001","23.466","0.004","90","","99.59","0.01","90","","2929.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br8 Cd N3 -","- C18 H21 Br8 Cd N3 -","- C72 H84 Br32 Cd4 N12 -","4","1","","Gassara, Mahdi; Msalmi, Rawia; Liu, Xinghui; Hassen, Fredj; Moliterni, Anna; Ben Hamadi, Naoufel; Guesmi, Ahlem; Khezami, Lotfi; Soltani, Taoufik; Naïli, Houcine","A promising 1D Cd-based hybrid perovskite-type for white-light emission with high-color-rendering index","RSC Advances","2022","12","52","33516","33524","10.1039/D2RA04676H","","","0.71073","MoKα","","0.0895","0.0364","","","0.0727","0.0914","","","","","","1.098","","","","has coordinates","279523","2022-11-24","02:12:27",""
"7245910","3.7166","0.0001","7.2862","0.0003","15.168","0.0005","84.565","0.001","84.984","0.001","85.194","0.001","406.15","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","1","0.5","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0475","0.0435","","","0.0954","0.0973","","","","","","1.101","","","","has coordinates","279551","2022-11-24","23:37:13",""
"7245911","14.0559","0.0003","7.0932","0.0002","14.1687","0.0003","90","","90","","90","","1412.64","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl2 N5 -","- C2 H7 Cl2 N5 -","- C16 H56 Cl16 N40 -","8","1","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0453","0.0366","","","0.0809","0.0846","","","","","","1.15","","","","has coordinates","279551","2022-11-24","23:37:16",""
"7245915","8.6271","0.0004","11.5365","0.0006","12.0186","0.0008","112.233","0.006","90.786","0.005","95.43","0.004","1100.68","0.12","292.8","0.2","292.8","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","","Qian, Hang; Wang, Cui-Cui; Shen, Zi-Chen; Sun, Ming-Xue; Zhang, Hong-Chao; Fan, Shiming; Feng, Juan; Liu, Shouxin; Zhang, Zhi-Wei","Catalyst- and additive-free [3 + 3] cyclization–aromatization of β,γ-dioxobutanoate with amines for synthesis of p-aminophenols","Green Chemistry","2022","24","24","9690","9696","10.1039/D2GC03936B","","x-ray","1.54184","CuKα","","0.0843","0.0624","","","0.1739","0.1903","","","","","","1.057","","","","has coordinates","280175","2023-01-06","09:41:08",""
"7245919","7.29","0.004","12.586","0.006","7.891","0.004","90","","101.778","0.013","90","","708.8","0.6","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-cyano-3-cyclopropyl-2-propenoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Mader, Lavleen; Watt, Sarah K.I.; Iyer, Harish R.; Nguyen, Linh; Kaur, Harpreet; Keillor, Jeffrey W.","The War on hTG2: Warhead Optimization in Small Molecule Human Tissue Transglutaminase Inhibitors","RSC Medicinal Chemistry","2022","","","","","10.1039/D2MD00378C","","","0.71073","MoKα","","0.0753","0.0427","","","0.1057","0.1316","","","","","","1.056","","","","has coordinates","279574","2022-11-26","00:46:51",""
"7245920","7.1354","0.0014","9.3422","0.0019","10.662","0.002","64.51","0.03","72.84","0.03","79.91","0.03","612","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N10 O8 Zn -","- C16 H20 N10 O8 Zn -","- C16 H20 N10 O8 Zn -","1","0.5","","Tan, Li-Tao; Shen, Ting-Xiao; Jiang, Jing-Yi; Zhong, Yu-Jie; Lin, Fang-Qi; Xue, Hong; Yao, Yu-Xin; Jiang, Xin; Shen, Lei; He, Xin","Bifunctional tetrazole–carboxylate ligand based Zn(ii) complexes: synthesis and their excellent potential anticancer properties","RSC Advances","2022","12","52","33808","33815","10.1039/D2RA04768C","","","0.71073","MoKα","","0.0635","0.0496","","","0.1339","0.1432","","","","","","0.997","","","","has coordinates","279580","2022-11-26","02:09:15",""
"7245921","10.823","0.002","11.011","0.002","16.851","0.003","78.57","0.03","73.87","0.03","80.02","0.03","1875.9","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 N15 O12 Zn -","- C31 H35 N15 O12 Zn -","- C62 H70 N30 O24 Zn2 -","2","1","","Tan, Li-Tao; Shen, Ting-Xiao; Jiang, Jing-Yi; Zhong, Yu-Jie; Lin, Fang-Qi; Xue, Hong; Yao, Yu-Xin; Jiang, Xin; Shen, Lei; He, Xin","Bifunctional tetrazole–carboxylate ligand based Zn(ii) complexes: synthesis and their excellent potential anticancer properties","RSC Advances","2022","12","52","33808","33815","10.1039/D2RA04768C","","","0.71073","MoKα","","0.1021","0.0729","","","0.2262","0.2488","","","","","","0.971","","","","has coordinates","279580","2022-11-26","02:09:15",""
"7245924","12.7245","0.0014","13.5981","0.0019","19.076","0.003","90","","104.107","0.004","90","","3201.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C23 H16 Cd N7 O5 -","- C23 H16 Cd N7 O5 -","- C92 H64 Cd4 N28 O20 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0976","0.0759","","","0.1927","0.2115","","","","","","1.005","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245925","12.933","0.002","13.25","0.002","13.77","0.002","78.372","0.003","63.205","0.003","73.101","0.003","2008.5","0.5","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","1","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0606","0.0481","","","0.1366","0.147","","","","","","1.047","","","","has coordinates","279631","2022-11-29","23:35:37",""
"7245926","17.729","0.002","21.126","0.003","21.855","0.003","90","","90","","90","","8185.6","1.9","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C83 H69 Cd4 N6 O25 -","- C83 H69 Cd4 N6 O25 -","- C332 H276 Cd16 N24 O100 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0814","0.052","","","0.1352","0.1555","","","","","","1.026","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245943","24.902","0.007","11.539","0.003","16.25","0.006","90","","127.33","0.017","90","","3713","2","222","2","221.68","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N8 Ni O4 -","- C42 H34 N8 Ni O4 -","- C168 H136 N32 Ni4 O16 -","4","0.5","","Sharma, Vanshika; Sahu, Meman; Manna, Amit Kumar; De, Dinesh; Patra, Goutam Kumar","A quinazolin-based Schiff-base chemosensor for colorimetric detection of Ni2+ and Zn2+ ions and ‘turn-on’ fluorometric detection of Zn2+ ion","RSC Advances","2022","12","53","34226","34235","10.1039/D2RA05564C","","","0.71073","MoKα","","0.1542","0.0978","","","0.1692","0.1924","","","","","","1.073","","","","has coordinates","279664","2022-12-01","02:09:37",""
"7245944","7.7001","0.0002","26.8744","0.0007","11.3043","0.0003","90","","99.2084","0.0005","90","","2309.12","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane","3'-((2,3-difluoro-4-(pentyloxy)phenyl)ethynyl)-4'-ethoxy-2,3-difluoro-1,1'-biphenyl","","- C27 H24 F4 O2 -","- C27 H24 F4 O2 -","- C108 H96 F16 O8 -","4","1","","Rozwadowski, Tomasz; Noda, Hiroshi; Kolek, Łukasz; Ito, Mizuki; Yamamura, Yasuhisa; Saitoh, Hideki; Saito, Kazuya","Molecular dynamics and kinetics of isothermal cold crystallization with tunable dimensionality in a molecular glass former, 5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane.","Physical chemistry chemical physics : PCCP","2022","25","1","724","735","10.1039/d2cp03638j","","","0.71073","MoKα","","0.0539","0.0421","","","0.115","0.1262","","","","","","1.046","","","","has coordinates","283496","2023-05-05","03:31:23",""
"7245948","12.2805","0.0009","13.6365","0.0009","14.6021","0.001","96.069","0.001","102.032","0.002","92.269","0.002","2373.4","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H37 Cl4 F15 N4 P Rh Sb2 -","- C39 H37 Cl4 F15 N4 P Rh Sb2 -","- C78 H74 Cl8 F30 N8 P2 Rh2 Sb4 -","2","1","","Tejero, Alvaro G.; Carmona, María; Rodríguez, Ricardo; Viguri, Fernando; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Synthesis of chiral-at-metal rhodium complexes from achiral tripodal tetradentate ligands: resolution and application to enantioselective Diels–Alder and 1,3-dipolar cycloadditions","RSC Advances","2022","12","53","34704","34714","10.1039/D2RA06982B","","","0.71073","MoKα","","0.08","0.0485","","","0.1051","0.118","","","","","","1.016","","","","has coordinates","279682","2022-12-03","02:00:35",""
"7245957","6.6262","0.0003","7.4872","0.0004","19.2803","0.001","87.424","0.002","87.609","0.002","71.455","0.002","905.56","0.08","120","2","120.02","","","","","","","","","4","P -1","-P 1","2","chalcone analogue","(2E)-3-(4-bromophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C46 H34 Br2 O6 -","2","1","","Borges, Igor D.; Faria, Eduardo C. M.; Custódio, Jean F. M.; Duarte, Vitor S.; Fernandes, Fernanda S.; Alonso, Christian G.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Oliveira, Guilherme R.; Napolitano, Hamilton B.","Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends","RSC Advances","2022","12","53","34746","34759","10.1039/D2RA07300E","","","0.71073","MoKα","","0.0447","0.0327","","","0.0705","0.0746","","","","","","1.011","","","","has coordinates","279719","2022-12-06","02:14:39",""
"7245958","7.3047","0.0012","11.062","0.002","22.299","0.004","90","","98.363","0.003","90","","1782.7","0.5","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chalcone analogue","(2E)-3-(3-nitrophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one","","- C23 H17 N O5 -","- C23 H17 N O5 -","- C92 H68 N4 O20 -","4","1","","Borges, Igor D.; Faria, Eduardo C. M.; Custódio, Jean F. M.; Duarte, Vitor S.; Fernandes, Fernanda S.; Alonso, Christian G.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Oliveira, Guilherme R.; Napolitano, Hamilton B.","Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends","RSC Advances","2022","12","53","34746","34759","10.1039/D2RA07300E","","","0.71073","MoKα","","0.0509","0.0373","","","0.0981","0.1058","","","","","","1.019","","","","has coordinates","279719","2022-12-06","02:14:40",""
"7245975","12.0771","0.0004","19.0403","0.0007","20.1521","0.0008","90","","90","","90","","4634","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H19 F3 N2 O3 -","- C27 H19 F3 N2 O3 -","- C216 H152 F24 N16 O24 -","8","1","","Prasad, Madavi S.; Bharani, Sankar; Sharief, Syed Mastan; Ravi, Mudavath; Sivaprakash, Murugesan; Borah, Biplob; Chowhan, L. Raju","DABCO-promoted highly diastereo- and regioselective construction of C-3 functionalized spirooxindoles via [3 + 2] cycloaddition of 2-aryl/heteroarylidene-1H-indene-1,3(2H)-diones with N-2,2,2-trifluoroethylisatin ketimines at ambient conditions","RSC Advances","2022","12","54","34941","34945","10.1039/D2RA07141J","","","0.71073","MoKα","","0.1227","0.0447","","","0.0984","0.1421","","","","","","1.106","","","","has coordinates","279757","2022-12-07","02:25:18",""
"7245976","11.3188","0.0013","7.2613","0.0009","14.983","0.002","90","","95.858","0.012","90","","1225","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N3 O9 S -","- C23 H25 N3 O9 S -","- C46 H50 N6 O18 S2 -","2","1","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0591","0.0436","","","0.101","0.108","","","","","","0.998","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7245977","30.1649","0.0013","7.7132","0.0003","10.9391","0.0004","90","","95.377","0.001","90","","2533.98","0.17","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H50 Cl2 N6 O17 S2 -","- C46 H50 Cl2 N6 O17 S2 -","- C92 H100 Cl4 N12 O34 S4 -","2","0.5","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0523","0.0472","","","0.1124","0.1164","","","","","","1.091","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7245978","14.7579","0.0009","7.0785","0.0003","27.0868","0.0016","90","","97.464","0.002","90","","2805.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O14 S2 -","- C23 H31 N3 O14 S2 -","- C92 H124 N12 O56 S8 -","4","2","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0639","0.0567","","","0.1241","0.128","","","","","","1.149","","","","has coordinates","279758","2022-12-07","02:26:11",""
"7245979","19.6617","0.0011","6.5542","0.0004","20.6217","0.0011","90","","100.086","0.005","90","","2616.4","0.3","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 B F2 N2 O -","- C19 H23 B F2 N2 O -","- C114 H138 B6 F12 N12 O6 -","6","3","","Ikeshita, Masahiro; He, Hongxi; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","External environment sensitive circularly polarized luminescence properties of a chiral boron difluoride complex","RSC Advances","2022","12","53","34790","34796","10.1039/D2RA07386B","","","0.71073","MoKα","","0.1213","0.0461","","","0.1242","0.1626","","","","","","1.002","","","","has coordinates","279760","2022-12-07","02:27:26",""
"7245983","21.3546","0.0013","8.2429","0.0006","27.6061","0.0018","90","","102.563","0.003","90","","4743","0.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C264 H240 O24 -","8","2","","Salla, Cristian A. M.; Farias, Giliandro; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Murat, Aydemir; de Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","The effect of substituents and molecular aggregation on the room temperature phosphorescence of a twisted π-system.","Physical chemistry chemical physics : PCCP","2022","25","1","684","689","10.1039/d2cp04658j","","","0.71073","MoKα","","0.0646","0.0436","","","0.1048","0.1153","","","","","","1.037","","","","has coordinates","281601","2023-03-04","18:45:42",""
"7245984","9.7052","0.0019","13.015","0.003","19.712","0.004","90","","90","","90","","2489.9","0.9","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N4 O5 -","- C27 H27 Cl N4 O5 -","- C108 H108 Cl4 N16 O20 -","4","1","","Alizadeh, Abdolali; Bagherinejad, Akram; Kayanian, Jasmine; Vianello, Robert","An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control","RSC Advances","2022","12","54","34946","34950","10.1039/D2RA05704B","","x-ray","0.71073","MoKα","","0.0524","0.049","","","0.1234","0.1247","","","","","","1.079","","","","has coordinates","279801","2022-12-08","02:19:02",""
"7245985","15.3911","0.0004","18.7389","0.0005","16.7383","0.0004","90","","110.494","0.002","90","","4522","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachlorido-0.5-cobaltate(II)-0.5-nickelate(II)","","- C36 H56 Cl8 Co N4 Ni -","- C36 H56 Cl8 Co N4 Ni -","- C144 H224 Cl32 Co4 N16 Ni4 -","4","1","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0409","0.0251","","","0.0561","0.0598","","","","","","0.923","","","","has coordinates,has disorder","279815","2022-12-09","02:13:41",""
"7245986","15.4965","0.0003","18.4666","0.0004","16.7917","0.0003","90","","110.529","0.001","90","","4500.08","0.16","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachloridonickelate(II)","","- C18 H28 Cl4 N2 Ni -","- C18 H28 Cl4 N2 Ni -","- C144 H224 Cl32 N16 Ni8 -","8","2","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0304","0.0262","","","0.0703","0.0721","","","","","","1.035","","","","has coordinates","279815","2022-12-09","02:13:42",""
"7245987","15.3694","0.0004","18.7506","0.0005","16.7373","0.0004","90","","110.442","0.002","90","","4519.7","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachlorido-0.46-cobaltate(II)-0.54-zincate(II)","","- C18 H28 Cl4 Co0.46 N2 Zn0.54 -","- C18 H28 Cl4 Co0.4585 N2 Zn0.5415 -","- C144 H224 Cl32 Co3.668 N16 Zn4.332 -","8","2","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0341","0.0231","","","0.0553","0.0579","","","","","","0.971","","","","has coordinates,has disorder","279815","2022-12-09","02:13:42",""
"7245988","15.07","0.003","9.7398","0.0013","22.418","0.003","90","","97.637","0.008","90","","3261.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin","Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes","RSC Advances","2022","12","54","34797","34807","10.1039/D2RA05593G","","","0.71073","MoKα","","0.1561","0.1037","","","0.135","0.1471","","","","","","1.192","","","","has coordinates","279816","2022-12-09","02:14:49",""
"7245989","8.614","0.002","19.486","0.004","20.323","0.004","90","","90","","90","","3411.3","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 N O4 -","- C44 H35 N O4 -","- C176 H140 N4 O16 -","4","1","","Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin","Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes","RSC Advances","2022","12","54","34797","34807","10.1039/D2RA05593G","","","0.71073","MoKα","","0.0926","0.0623","","","0.0901","0.0968","","","","","","1.042","","","","has coordinates","279816","2022-12-09","02:14:50",""
"7245993","16.6597","0.0009","9.1073","0.0004","10.5974","0.0006","90","","94.571","0.005","90","","1602.78","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Tong, Zhou; Peng, Xinju; Tang, Zhi; Yang, Weijun; Deng, Wei; Yin, Shuang-Feng; Kambe, Nobuaki; Qiu, Renhua","DTBP-mediated cross-dehydrogenative coupling of 3-aryl benzofuran-2(3H)-ones with toluenes/phenols for all-carbon quaternary centers","RSC Advances","2022","12","54","35215","35220","10.1039/D2RA06231C","","x-ray","0.71073","MoKα","","0.0331","0.0322","","","0.075","0.0758","","","","","","1.059","","","","has coordinates","279830","2022-12-10","02:02:40",""
"7246002","7.8726","0.0003","9.191","0.0003","11.7294","0.0004","96.235","0.001","104.854","0.001","112.333","0.001","738.39","0.05","193","2","193.02","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N6 O14 Zn2 -","- C26 H26 N6 O14 Zn2 -","- C26 H26 N6 O14 Zn2 -","1","0.5","","Saeed, Aasim; Zhang, Xiao-Yu; Huang, Zi-Qing; Zhao, Xin-Yang; Xu, Lei; Zhao, Yue; Sun, Wei-Yin; Zhao, Jing","Metal–organic frameworks incorporating azobenzene-based ligands as a heterogeneous Lewis-acid catalyst for cyanosilylation of imines","RSC Advances","2022","12","54","35461","35468","10.1039/D2RA06858C","","","1.34139","GaKα","","0.0401","0.0377","","","0.1033","0.1053","","","","","","1.028","","","","has coordinates","279851","2022-12-13","02:21:45",""
"7246003","7.5893","0.0008","9.8529","0.0011","12.2846","0.0013","100.78","0.004","99.296","0.003","109.467","0.004","825.58","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N3 O5 -","- C13 H9 Cd N3 O5 -","- C26 H18 Cd2 N6 O10 -","2","1","","Saeed, Aasim; Zhang, Xiao-Yu; Huang, Zi-Qing; Zhao, Xin-Yang; Xu, Lei; Zhao, Yue; Sun, Wei-Yin; Zhao, Jing","Metal–organic frameworks incorporating azobenzene-based ligands as a heterogeneous Lewis-acid catalyst for cyanosilylation of imines","RSC Advances","2022","12","54","35461","35468","10.1039/D2RA06858C","","x-ray","0.71073","MoKα","","0.0316","0.028","","","0.0697","0.0716","","","","","","1.047","","","","has coordinates","279851","2022-12-13","02:21:46",""
"7246004","17.9808","0.0007","10.9396","0.0003","10.3118","0.0004","90","","106.198","0.001","90","","1947.84","0.12","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F O5 S -","- C21 H19 F O5 S -","- C84 H76 F4 O20 S4 -","4","1","","Cheng, Xiufang; Wang, Shuo; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu","Metal-free hydrosulfonylation of α,β-unsaturated ketones: synthesis and application of γ-keto sulfones","RSC Advances","2022","12","55","35649","35654","10.1039/D2RA06784F","","","0.71073","MoKα","","0.0465","0.0383","","","0.0901","0.0964","","","","","","1.049","","","","has coordinates,has disorder","279885","2022-12-14","02:14:22",""
"7246007","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H42 Cd4 N6 O12 S2 -","- C42 H42 Cd4 N6 O12 S2 -","- C168 H168 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0891","0.068","","","0.1402","0.1518","","","","","","1.196","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246008","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H46 Cd4 N6 O12 S2 -","- C44 H46 Cd4 N6 O12 S2 -","- C176 H184 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0881","0.0672","","","0.1368","0.1482","","","","","","1.177","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246022","23.8272","0.0003","14.5493","0.0002","16.0514","0.0002","90","","125.095","0.001","90","","4552.89","0.12","170","0.11","170","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H47 Cl4 Co F2 N3 -","- C52 H47 Cl4 Co F2 N3 -","- C208 H188 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0523","0.0509","","","0.1403","0.1416","","","","","","1.041","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246023","24.2166","0.0003","14.6821","0.0002","16.4823","0.0002","90","","127.049","0.001","90","","4677.22","0.12","169.97","0.11","169.97","0.11","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H49 Cl4 Co F2 N3 -","- C53 H49 Cl4 Co F2 N3 -","- C212 H196 Cl16 Co4 F8 N12 -","4","1","","Li, Zilong; Ma, Yanping; Liu, Tian; Zhang, Qiuyue; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Exploring fluoride effects in sterically enhanced cobalt ethylene polymerisation catalysts; a combined experimental and DFT study.","RSC advances","2022","13","1","14","24","10.1039/d2ra05806e","","x-ray","1.54178","CuKα","","0.0389","0.0379","","","0.1039","0.1046","","","","","","1.027","","","","has coordinates","281615","2023-03-04","18:49:08",""
"7246030","8.314","0.0017","11.697","0.002","15.79","0.003","90","","98.79","0.03","90","","1517.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Co N2 O -","- C14 H16 Cl2 Co N2 O -","- C56 H64 Cl8 Co4 N8 O4 -","4","1","","Kim, Kyeonghun; Nayab, Saira; Cho, Yerim; Jung, Hyewon; Yeo, Hyeonuk; Lee, Hyosun; Lee, Sang-Ho","Catalytic performance of tridentate versus bidentate Co(ii) complexes supported by Schiff base ligands in vinyl addition polymerization of norbornene","RSC Advances","2022","12","55","35896","35904","10.1039/D2RA07241F","","","0.65","synchrotron","","0.0407","0.039","","","0.1101","0.1122","","","","","","0.765","","","","has coordinates","280001","2022-12-22","02:03:21",""
"7246031","9.771","0.0019","11.046","0.002","12.622","0.003","90","","108.05","0.03","90","","1295.3","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cl2 Co N2 S -","- C9 H14 Cl2 Co N2 S -","- C36 H56 Cl8 Co4 N8 S4 -","4","1","","Kim, Kyeonghun; Nayab, Saira; Cho, Yerim; Jung, Hyewon; Yeo, Hyeonuk; Lee, Hyosun; Lee, Sang-Ho","Catalytic performance of tridentate versus bidentate Co(ii) complexes supported by Schiff base ligands in vinyl addition polymerization of norbornene","RSC Advances","2022","12","55","35896","35904","10.1039/D2RA07241F","","","0.63","synchrotron","","0.0898","0.0673","","","0.2109","0.2252","","","","","","1.145","","","","has coordinates","280001","2022-12-22","02:03:22",""
"7246032","8.6139","0.0015","10.6283","0.0016","14.384","0.002","80.026","0.006","80.436","0.007","81.99","0.006","1270.6","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O8 -","- C31 H23 N O8 -","- C62 H46 N2 O16 -","2","1","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","","0.71073","MoKα","","0.1375","0.0564","","","0.1345","0.1941","","","","","","1.069","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246033","13.626","0.003","13.626","0.003","2.6598","0.0007","90","","90","","120","","427.68","0.17","293","","293","","65000000","1000000","","","","","synthetic","2","P -6 2 m","P -6 -2","189","Iron oxide","Iron oxide","","- Fe25 O32 -","- Fe25 O32 -","- Fe25 O32 -","1","0.0833333","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","x-ray","0.2885","synchrotron","","0.0559","0.051","","","0.0985","0.1004","","","","1.53","1.53","1.46","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246034","9.1201","0.0007","11.5487","0.0007","12.581","0.0008","93.498","0.002","96.303","0.003","100.317","0.003","1291.38","0.15","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O7 -","- C31 H24 N2 O7 -","- C62 H48 N4 O14 -","2","1","","Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R","Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.","RSC advances","2022","13","1","464","477","10.1039/d2ra07134g","","","0.71073","MoKα","","0.1369","0.0637","","","0.1625","0.2479","","","","","","1.2177","","","","has coordinates","281614","2023-03-04","18:48:48",""
"7246044","8.1771","0.0004","5.7977","0.0003","13.7003","0.0007","90","","90.684","0.004","90","","649.46","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 N P S2 -","- C15 H10 N P S2 -","- C30 H20 N2 P2 S4 -","2","1","","Evariste, Sloane; Harrison, Alexandra M.; Sarkar, Sunandan; Rheingold, Arnold L.; Dunietz, Barry D.; Heinicke, Joachim W.; Delgado Rosario, Emalyn; Yoon, Sungwoon; Teets, Thomas S.; Protasiewicz, John D.","Luminescent 1<i>H</i>-1,3-benzazaphospholes.","RSC advances","2022","13","1","594","601","10.1039/d2ra07226b","","x-ray","1.54178","CuKα","K-L~3~","0.0442","0.0407","","","0.1011","0.1034","","","","","","1.058","","","","has coordinates,has disorder","281613","2023-03-04","18:48:39",""
"7709042","12.1219","0.0007","9.0241","0.0006","12.549","0.0008","90","","92.939","0.002","90","","1370.92","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 O18 P2 S2 U2 -","- C14 H22 O18 P2 S2 U2 -","- C28 H44 O36 P4 S4 U4 -","2","0.5","","Hou, Xiaomin; Tang, Sifu","Lanthanide-uranyl Phosphonates Constructed from Diethyl ((phenylsulfonyl)methyl)phosphonate","Dalton Transactions","2022","","","","","10.1039/D1DT03596G","","","0.71073","MoKα","","0.0282","0.0218","","","0.0508","0.0541","","","","","","1.059","","","","has coordinates","271281","2021-12-09","00:04:20",""
"7709043","15.8134","0.0005","24.174","0.0007","10.0586","0.0003","90","","103.303","0.001","90","","3742","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 O23 P3 S3 Tb U1.5 -","- C21 H31 O23 P3 S3 Tb U1.5 -","- C84 H124 O92 P12 S12 Tb4 U6 -","4","1","","Hou, Xiaomin; Tang, Sifu","Lanthanide-uranyl Phosphonates Constructed from Diethyl ((phenylsulfonyl)methyl)phosphonate","Dalton Transactions","2022","","","","","10.1039/D1DT03596G","","","0.71073","MoKα","","0.0637","0.0432","","","0.0675","0.0718","","","","","","1.136","","","","has coordinates","271281","2021-12-09","00:04:21",""
"7709044","15.8248","0.0005","24.1841","0.0007","10.0821","0.0003","90","","103.154","0.001","90","","3757.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Eu O23 P3 S3 U1.5 -","- C21 H31 Eu O23 P3 S3 U1.5 -","- C84 H124 Eu4 O92 P12 S12 U6 -","4","1","","Hou, Xiaomin; Tang, Sifu","Lanthanide-uranyl Phosphonates Constructed from Diethyl ((phenylsulfonyl)methyl)phosphonate","Dalton Transactions","2022","","","","","10.1039/D1DT03596G","","","0.71073","MoKα","","0.0484","0.0367","","","0.0616","0.0642","","","","","","1.188","","","","has coordinates","271281","2021-12-09","00:04:21",""
"7709045","10.1408","0.0006","13.1947","0.0008","15.7775","0.001","68.711","0.002","77.761","0.002","79.422","0.002","1909.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H31 La O23 P3 S3 U1.5 -","- C21 H31 La O23 P3 S3 U1.5 -","- C42 H62 La2 O46 P6 S6 U3 -","2","1","","Hou, Xiaomin; Tang, Sifu","Lanthanide-uranyl Phosphonates Constructed from Diethyl ((phenylsulfonyl)methyl)phosphonate","Dalton Transactions","2022","","","","","10.1039/D1DT03596G","","","0.71073","MoKα","","0.0745","0.0637","","","0.1469","0.1521","","","","","","1.079","","","","has coordinates","271281","2021-12-09","00:04:21",""
"7709046","15.8278","0.0005","24.1917","0.0008","10.0884","0.0003","90","","103.043","0.001","90","","3763.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 O23 P3 S3 Sm U1.5 -","- C21 H31 O23 P3 S3 Sm U1.5 -","- C84 H124 O92 P12 S12 Sm4 U6 -","4","1","","Hou, Xiaomin; Tang, Sifu","Lanthanide-uranyl Phosphonates Constructed from Diethyl ((phenylsulfonyl)methyl)phosphonate","Dalton Transactions","2022","","","","","10.1039/D1DT03596G","","","0.71073","MoKα","","0.0521","0.0447","","","0.0984","0.1005","","","","","","1.298","","","","has coordinates","271281","2021-12-09","00:04:22",""
"7709047","15.2038","0.0002","22.6496","0.0003","22.0902","0.0003","90","","108.945","0.0016","90","","7194.93","0.18","156","10","156","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 In3 N4 O18 -","- C52 H30 In3 N4 O18 -","- C208 H120 In12 N16 O72 -","4","1","","Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu","pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption","Dalton Transactions","2022","","","","","10.1039/D1DT02935E","","x-ray","1.54184","CuKα","","0.0825","0.0699","","","0.1928","0.2051","","","","","","1.053","","","","has coordinates,has disorder","271282","2021-12-09","00:05:26",""
"7709048","26.8733","0.0011","20.7854","0.0008","22.4567","0.0009","90","","124.201","0.002","90","","10374.5","0.8","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 In N3 O8 -","- C28 H22 In N3 O8 -","- C224 H176 In8 N24 O64 -","8","1","","Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu","pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption","Dalton Transactions","2022","","","","","10.1039/D1DT02935E","","","1.34139","GaKα","","0.1036","0.0746","","","0.2224","0.2449","","","","","","1.075","","","","has coordinates,has disorder","271282","2021-12-09","00:05:28",""
"7709049","20.2125","0.0007","20.2125","0.0007","22.9119","0.0009","90","","90","","90","","9360.5","0.6","193","2","192.99","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C28 H22 In N3 O8 -","- C28 H22 In N3 O8 -","- C224 H176 In8 N24 O64 -","8","0.5","","Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu","pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption","Dalton Transactions","2022","","","","","10.1039/D1DT02935E","","","1.34139","GaKα","","0.0641","0.0603","","","0.1772","0.1812","","","","","","1.054","","","","has coordinates,has disorder","271282","2021-12-09","00:05:28",""
"7709056","34.5866","0.0014","10.3057","0.0004","12.0934","0.0005","90","","107.555","0.001","90","","4109.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Cd N3 O10 -","- C16 H23 Cd N3 O10 -","- C128 H184 Cd8 N24 O80 -","8","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Karmakar, Anirban; Aliyeva, Vusala; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Halogen bonding in cadmium(II) MOFs: influence on the structure and on the nitroaldol reaction in aqueous medium","Dalton Transactions","2022","","","","","10.1039/D1DT03755B","","","0.71073","MoKα","","0.0438","0.0374","","","0.099","0.1053","","","","","","1.116","","","","has coordinates","271285","2021-12-09","00:09:59",""
"7709057","9.2124","0.0009","29.969","0.003","11.2765","0.0012","90","","111.977","0.004","90","","2887.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H3 Cd I3 N4 O7 -","- C12 H3 Cd I3 N4 O7 -","- C48 H12 Cd4 I12 N16 O28 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Karmakar, Anirban; Aliyeva, Vusala; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Halogen bonding in cadmium(II) MOFs: influence on the structure and on the nitroaldol reaction in aqueous medium","Dalton Transactions","2022","","","","","10.1039/D1DT03755B","","","0.71073","MoKα","","0.0748","0.0623","","","0.1345","0.1406","","","","","","1.062","","","","has coordinates,has disorder","271285","2021-12-09","00:10:00",""
"7709058","8.332","0.0005","13.7864","0.0008","17.0388","0.0011","91.308","0.002","102.606","0.003","97.66","0.002","1890.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cd I6 N4 O15 -","- C26 H20 Cd I6 N4 O15 -","- C52 H40 Cd2 I12 N8 O30 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Karmakar, Anirban; Aliyeva, Vusala; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Halogen bonding in cadmium(II) MOFs: influence on the structure and on the nitroaldol reaction in aqueous medium","Dalton Transactions","2022","","","","","10.1039/D1DT03755B","","","0.71073","MoKα","","0.0556","0.0517","","","0.1362","0.1379","","","","","","1.066","","","","has coordinates","271285","2021-12-09","00:10:00",""
"7709059","10.358","0.002","17.966","0.003","19.58","0.004","90","","100.71","0.003","90","","3580.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H61 N2 O Si3 Y -","- C27 H61 N2 O Si3 Y -","- C108 H244 N8 O4 Si12 Y4 -","4","1","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0793","0.0407","","","0.0774","0.0885","","","","","","1.017","","","","has coordinates,has disorder","271334","2021-12-10","23:54:08",""
"7709060","9.7951","0.0004","16.2051","0.0006","17.2568","0.0007","90","","90","","90","","2739.18","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Si3 Y -","- C18 H49 N2 Si3 Y -","- C72 H196 N8 Si12 Y4 -","4","1","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0274","0.0255","","","0.0568","0.058","","","","","","1.096","","","","has coordinates","271334","2021-12-10","23:54:11",""
"7709061","14.86","0.0009","14.86","0.0009","16.7011","0.0011","90","","90","","120","","3193.8","0.3","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C45 H102 N3 O12 Si3 Y -","- C45 H102 N3 O12 Si3 Y -","- C90 H204 N6 O24 Si6 Y2 -","2","0.333333","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0489","0.0341","","","0.0774","0.083","","","","","","1.037","","","","has coordinates,has disorder","271334","2021-12-10","23:54:11",""
"7709062","10.4087","0.0004","12.7237","0.0005","13.8056","0.0005","95.234","0.001","104.028","0.001","91.203","0.001","1764.69","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H53 N4 Si3 Y -","- C26 H53 N4 Si3 Y -","- C52 H106 N8 Si6 Y2 -","2","1","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0466","0.0349","","","0.0895","0.0955","","","","","","1.021","","","","has coordinates,has disorder","271334","2021-12-10","23:54:12",""
"7709064","12.8472","0.0001","14.4461","0.0001","19.371","0.0001","108.898","0.004","94.296","0.005","94.608","0.005","3370.85","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 B Cl2 F24 P4 W -","- C52 H60 B Cl2 F24 P4 W -","- C104 H120 B2 Cl4 F48 P8 W2 -","2","1","","Bouammali, Amal; Coffinet, Anaïs; Vendier, Laure; Simonneau, Antoine","Dinitrogen-derived (diarylboryl)diazenido Complexes with Differing Coordination to the Thallium Cation","Dalton Transactions","2022","","","","","10.1039/D1DT03905A","","x-ray","0.71073","MoKα","","0.0522","0.0406","","","0.1117","0.1213","","","","","","1.062","","","","has coordinates,has disorder","271336","2021-12-10","23:56:08",""
"7709065","19.4938","0.00004","20.5553","0.00005","19.9296","0.00004","90","","106.853","0.003","90","","7642.83","0.12","110","","110","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C70 H82 B2 Cl F24 N2 P4 Tl W -","- C70 H82 B2 Cl F24 N2 P4 Tl W -","- C280 H328 B8 Cl4 F96 N8 P16 Tl4 W4 -","4","1","","Bouammali, Amal; Coffinet, Anaïs; Vendier, Laure; Simonneau, Antoine","Dinitrogen-derived (diarylboryl)diazenido Complexes with Differing Coordination to the Thallium Cation","Dalton Transactions","2022","","","","","10.1039/D1DT03905A","","","0.71073","MoKα","","0.0614","0.0496","","0.1176","0.1099","0.1173","","","","","","0.9891","","","","has coordinates","271336","2021-12-10","23:56:10",""
"7709066","16.7376","0.0008","17.779","0.0011","20.2892","0.0017","93.001","0.005","96.278","0.006","92.96","0.004","5983.2","0.7","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C105 H69 B2 Cl F34 N2 P4 Tl W -","- C105 H69 B2 Cl F34 N2 P4 Tl W -","- C210 H138 B4 Cl2 F68 N4 P8 Tl2 W2 -","2","1","","Bouammali, Amal; Coffinet, Anaïs; Vendier, Laure; Simonneau, Antoine","Dinitrogen-derived (diarylboryl)diazenido Complexes with Differing Coordination to the Thallium Cation","Dalton Transactions","2022","","","","","10.1039/D1DT03905A","","","0.71073","MoKα","","0.0889","0.0517","","","0.1284","0.1479","","","","","","1.012","","","","has coordinates","271336","2021-12-10","23:56:10",""
"7709069","10.249","0.002","10.84","0.003","14.915","0.003","90.353","0.005","105.031","0.005","111.198","0.004","1482.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Dy N5 O6 -","- C31 H26 Dy N5 O6 -","- C62 H52 Dy2 N10 O12 -","2","1","","Dong, Hui-Ming; Liu, Zhong-Yi; Tang, Hui-Min; Yang, En-Cui; Zhang, Yi-Quan; Zhao, Xiao-Jun","Slow relaxations of Dy(III) single-ion magnets dominated by simultaneous binding of chelating ligands in low-symmetry ligand-fields","Dalton Transactions","2022","","","","","10.1039/D1DT03637H","","","0.71073","MoKα","","0.0489","0.0373","","","0.0706","0.0746","","","","","","1.008","","","","has coordinates","271371","2021-12-13","23:56:10",""
"7709070","14.948","0.003","19.059","0.004","14.435","0.004","90","","119.103","0.003","90","","3593.2","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Dy N7 O7 -","- C38 H28 Dy N7 O7 -","- C152 H112 Dy4 N28 O28 -","4","0.5","","Dong, Hui-Ming; Liu, Zhong-Yi; Tang, Hui-Min; Yang, En-Cui; Zhang, Yi-Quan; Zhao, Xiao-Jun","Slow relaxations of Dy(III) single-ion magnets dominated by simultaneous binding of chelating ligands in low-symmetry ligand-fields","Dalton Transactions","2022","","","","","10.1039/D1DT03637H","","","0.71073","MoKα","","0.0392","0.0331","","","0.0979","0.1008","","","","","","1.061","","","","has coordinates","271371","2021-12-13","23:56:11",""
"7709071","13.5337","0.0019","18.459","0.003","18.405","0.002","90","","111.693","0.009","90","","4272.3","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H39 Cl Dy N7 O7 -","- C46 H39 Cl Dy N7 O7 -","- C184 H156 Cl4 Dy4 N28 O28 -","4","1","","Dong, Hui-Ming; Liu, Zhong-Yi; Tang, Hui-Min; Yang, En-Cui; Zhang, Yi-Quan; Zhao, Xiao-Jun","Slow relaxations of Dy(III) single-ion magnets dominated by simultaneous binding of chelating ligands in low-symmetry ligand-fields","Dalton Transactions","2022","","","","","10.1039/D1DT03637H","","","0.71073","MoKα","","0.0326","0.024","","","0.061","0.064","","","","","","1.04","","","","has coordinates","271371","2021-12-13","23:56:11",""
"7709072","17.2181","0.0008","24.2357","0.0012","29.5233","0.0016","90","","90","","90","","12319.9","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H74 N9 O10 Ru2 -","- C66 H74 N9 O10 Ru2 -","- C528 H592 N72 O80 Ru16 -","8","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","1.54178","CuKα","","0.0343","0.0316","","","0.0748","0.0765","","","","","","1.022","","","","has coordinates","271418","2021-12-14","23:53:52",""
"7709073","12.321","0.0004","12.9177","0.0005","19.6606","0.0007","108.349","0.0019","91.745","0.002","92.703","0.002","2963.37","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H69 N8 O12 Ru2 -","- C64 H69 N8 O12 Ru2 -","- C128 H138 N16 O24 Ru4 -","2","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0568","0.0356","","","0.0774","0.0858","","","","","","1.014","","","","has coordinates","271418","2021-12-14","23:53:52",""
"7709074","12.4116","0.0002","12.4116","0.0002","18.262","0.0006","90","","90","","90","","2813.22","0.11","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C62 H65 N8 O8 Ru2 -","- C62 H65 N8 O8 Ru2 -","- C124 H130 N16 O16 Ru4 -","2","0.25","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0272","0.0235","","","0.0517","0.0551","","","","","","1.245","","","","has coordinates,has disorder","271418","2021-12-14","23:53:52",""
"7709075","10.5619","0.0012","34.317","0.006","18.756","0.003","90","","104.369","0.006","90","","6585.5","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70.57 H84.77 N8 O6 Ru2 -","- C70.58 H84.792 N8 O6 Ru2 -","- C282.32 H339.168 N32 O24 Ru8 -","4","0.5","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.1021","0.0495","","","0.1158","0.1353","","","","","","0.993","","","","has coordinates,has disorder","271418","2021-12-14","23:53:52",""
"7709076","20.7861","0.0009","15.6582","0.0006","17.0761","0.0007","90","","100.676","0.002","90","","5461.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H59 N8 O9 Ru2 -","- C59 H59 N8 O9 Ru2 -","- C236 H236 N32 O36 Ru8 -","4","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0396","0.0301","","","0.0669","0.0729","","","","","","1.105","","","","has coordinates","271418","2021-12-14","23:53:53",""
"7709077","13.5208","0.0004","14.1761","0.0005","17.9369","0.0006","67.298","0.001","86.515","0.001","74.075","0.001","3045.98","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H77 N8 O6 Ru2 -","- C67 H77 N8 O6 Ru2 -","- C134 H154 N16 O12 Ru4 -","2","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0621","0.0346","","","0.0659","0.0743","","","","","","0.997","","","","has coordinates","271418","2021-12-14","23:53:53",""
"7709078","10.6576","0.0004","17.2858","0.0006","19.4972","0.0007","107.281","0.0015","94.7543","0.0016","96.8966","0.0015","3378.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.89 H84.42 N8 O4 Ru2 -","- C70.8927 H84.4163 N8 O4 Ru2 -","- C141.785 H168.833 N16 O8 Ru4 -","2","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","1.54178","CuKα","","0.052","0.0461","","","0.1192","0.1222","","","","","","1.033","","","","has coordinates,has disorder","271418","2021-12-14","23:53:53",""
"7709079","12.7603","0.0005","21.0504","0.0008","19.8667","0.0007","90","","91.8246","0.0015","90","","5333.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 F3 N8 O8 Ru2 -","- C59 H56 F3 N8 O8 Ru2 -","- C236 H224 F12 N32 O32 Ru8 -","4","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","0.71073","MoKα","","0.0598","0.041","","","0.0761","0.0823","","","","","","1.064","","","","has coordinates,has disorder","271418","2021-12-14","23:53:53",""
"7709080","13.2747","0.0008","18.7979","0.0011","9.1742","0.0005","90","","95.676","0.002","90","","2278.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Jana, Abhimanyu; Aher, Abhishek; Brandão, Paula; Bera, Pradip; Sharda, Saphy; Phadikar, Ujjwal; Manna, Sunil; Mahapatra, Ajit Kumar; Bera, Pulakesh","Evaluation of anticancer activities varying ligand’s substituents in Co(II/III)-picolyl phenolate derivatives: Synthesis, characterization, DFT, DNA cleavage and molecular docking studies","Dalton Transactions","2022","","","","","10.1039/D1DT02825A","","","0.71073","MoKα","","0.0548","0.0413","","","0.095","0.1017","","","","","","1.035","","","","has coordinates","271419","2021-12-14","23:56:09",""
"7709081","9.9275","0.0012","14.1515","0.0016","14.8834","0.0018","90","","90","","90","","2091","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Co N8 O2 -","- C21 H19 Co N8 O2 -","- C84 H76 Co4 N32 O8 -","4","1","","Jana, Abhimanyu; Aher, Abhishek; Brandão, Paula; Bera, Pradip; Sharda, Saphy; Phadikar, Ujjwal; Manna, Sunil; Mahapatra, Ajit Kumar; Bera, Pulakesh","Evaluation of anticancer activities varying ligand’s substituents in Co(II/III)-picolyl phenolate derivatives: Synthesis, characterization, DFT, DNA cleavage and molecular docking studies","Dalton Transactions","2022","","","","","10.1039/D1DT02825A","","","0.71073","MoKα","","0.0773","0.0599","","","0.1502","0.1693","","","","","","1.095","","","","has coordinates","271419","2021-12-14","23:56:15",""
"7709082","13.3626","0.0009","8.7473","0.0006","14.7469","0.0009","90","","93.525","0.003","90","","1720.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl2 Co N2 O2 -","- C16 H16 Cl2 Co N2 O2 -","- C64 H64 Cl8 Co4 N8 O8 -","4","1","","Jana, Abhimanyu; Aher, Abhishek; Brandão, Paula; Bera, Pradip; Sharda, Saphy; Phadikar, Ujjwal; Manna, Sunil; Mahapatra, Ajit Kumar; Bera, Pulakesh","Evaluation of anticancer activities varying ligand’s substituents in Co(II/III)-picolyl phenolate derivatives: Synthesis, characterization, DFT, DNA cleavage and molecular docking studies","Dalton Transactions","2022","","","","","10.1039/D1DT02825A","","","0.71073","MoKα","","0.073","0.0637","","","0.1542","0.1591","","","","","","1.117","","","","has coordinates,has disorder","271419","2021-12-14","23:56:15",""
"7709083","18.4496","0.0008","8.9454","0.0004","17.227","0.0008","90","","94.149","0.003","90","","2835.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ClO4-173","","- C24 H18 Cl2 Fe N10 O10 -","- C24 H18 Cl2 Fe N10 O10 -","- C96 H72 Cl8 Fe4 N40 O40 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","1.54178","CuKα","","0.0533","0.0381","","","0.084","0.0923","","","","","","1.033","","","","has coordinates","271420","2021-12-14","23:57:09",""
"7709084","11.9099","0.0005","20.2023","0.0008","12.1694","0.0004","90","","90.823","0.001","90","","2927.75","0.19","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","BF4-180","","- C24 H20 B2 F8 Fe N10 O3 -","- C24 H20 B2 F8 Fe N10 O3 -","- C96 H80 B8 F32 Fe4 N40 O12 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.086","0.0679","","","0.1656","0.1868","","","","","","1.032","","","","has coordinates","271420","2021-12-14","23:57:10",""
"7709085","18.5932","0.0017","9.0163","0.0008","17.4491","0.0017","90","","92.848","0.003","90","","2921.6","0.5","340","","340","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ClO4-340","","- C24 H18 Cl2 Fe N10 O10 -","- C24 H18 Cl2 Fe N10 O10 -","- C96 H72 Cl8 Fe4 N40 O40 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.1026","0.0584","","","0.1419","0.186","","","","","","1.108","","","","has coordinates","271420","2021-12-14","23:57:10",""
"7709086","12.0228","0.0007","20.1916","0.0011","12.3173","0.0006","90","","91.178","0.002","90","","2989.5","0.3","302","","302","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","BF4-302","","- C24 H20 B2 F8 Fe N10 O3 -","- C24 H20 B2 F8 Fe N10 O3 -","- C96 H80 B8 F32 Fe4 N40 O12 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.1003","0.0687","","","0.1773","0.2165","","","","","","1.075","","","","has coordinates","271420","2021-12-14","23:57:10",""
"7709087","18.5579","0.001","9","0.0005","17.3767","0.001","90","","93.272","0.002","90","","2897.5","0.3","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ClO4-300","","- C24 H18 Cl2 Fe N10 O10 -","- C24 H18 Cl2 Fe N10 O10 -","- C96 H72 Cl8 Fe4 N40 O40 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.0849","0.0507","","","0.1209","0.1514","","","","","","1.137","","","","has coordinates","271420","2021-12-14","23:57:10",""
"7709088","12.058","0.004","20.187","0.006","12.359","0.004","90","","91.276","0.009","90","","3007.6","1.7","340","","340","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","BF4-340","","- C24 H20 B2 F8 Fe N10 O3 -","- C24 H20 B2 F8 Fe N10 O3 -","- C96 H80 B8 F32 Fe4 N40 O12 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.1188","0.0761","","","0.1983","0.2441","","","","","","1.042","","","","has coordinates","271420","2021-12-14","23:57:10",""
"7709089","18.6559","0.0014","9.033","0.0007","17.5417","0.0014","90","","92.311","0.002","90","","2953.7","0.4","380","","380","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ClO4-380","","- C24 H18 Cl2 Fe N10 O10 -","- C24 H18 Cl2 Fe N10 O10 -","- C96 H72 Cl8 Fe4 N40 O40 -","4","1","","Yang, Qianqian; Meng, Yin-Shan; Liu, Tao; Tang, Jinkui","Thermal and photoinduced spin-crossover of mononuclear FeII complexes based on bppCHO ligand","Dalton Transactions","2022","","","","","10.1039/D1DT03664E","","","0.71073","MoKα","","0.1356","0.067","","","0.1686","0.2352","","","","","","1.074","","","","has coordinates","271420","2021-12-14","23:57:11",""
"7709090","8.0005","0.0004","22.9904","0.001","11.6606","0.0007","90","","102.494","0.006","90","","2094","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl2 Co N5 -","- C20 H19 Cl2 Co N5 -","- C80 H76 Cl8 Co4 N20 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Samanta, Subhas","Polymerisation of styrene using pincer type amine functionalized azo aromatic complexes of Co(II) as catalysts.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1454","1463","10.1039/d1dt02622d","","x-ray","0.71073","MoKα","","0.0777","0.0591","","","0.1709","0.1931","","","","","","1.088","","","","has coordinates","272697","2022-02-04","19:49:50",""
"7709091","15.252","0.006","11.78","0.005","19.686","0.018","90","","93.34","0.04","90","","3531","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl4 Co2 N8 -","- C32 H40 Cl4 Co2 N8 -","- C128 H160 Cl16 Co8 N32 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Samanta, Subhas","Polymerisation of styrene using pincer type amine functionalized azo aromatic complexes of Co(II) as catalysts.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1454","1463","10.1039/d1dt02622d","","","1.54184","CuKα","","0.0324","0.0315","","","0.0853","0.0859","","","","","","1.111","","","","has coordinates","272697","2022-02-04","19:49:50",""
"7709092","9.1251","0.0006","9.7997","0.0006","11.9466","0.0006","88.053","0.005","75.08","0.005","71.225","0.006","975.96","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 -","- C20 H20 Cl2 Co N4 -","- C40 H40 Cl4 Co2 N8 -","2","1","","Goswami, Bappaditya; Khatua, Manas; Samanta, Subhas","Polymerisation of styrene using pincer type amine functionalized azo aromatic complexes of Co(II) as catalysts.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1454","1463","10.1039/d1dt02622d","","x-ray","1.54184","CuKα","","0.0962","0.089","","","0.2411","0.2543","","","","","","1.025","","","","has coordinates","272697","2022-02-04","19:49:50",""
"7709093","9.4655","0.0002","13.2728","0.0002","16.6662","0.0003","90","","104.567","0.002","90","","2026.53","0.07","100","0.12","100","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 Co N3 O2 -","- C19 H17 Cl2 Co N3 -","- C76 H68 Cl8 Co4 N12 -","4","1","","Goswami, Bappaditya; Khatua, Manas; Samanta, Subhas","Polymerisation of styrene using pincer type amine functionalized azo aromatic complexes of Co(II) as catalysts.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1454","1463","10.1039/d1dt02622d","","x-ray","1.54184","CuKα","","0.0614","0.0603","","","0.1592","0.1603","","","","","","1.0351","","","","has coordinates","272697","2022-02-04","19:49:50",""
"7709094","11.9371","0.0002","19.0224","0.0004","22.7876","0.0004","90","","91.536","0.001","90","","5172.57","0.17","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H59 B2 Cl Dy N8 O7 -","- C52 H59 B2 Cl Dy N7 O7 -","- C208 H236 B8 Cl4 Dy4 N28 O28 -","4","1","","Mondal, Arpan; Konar, Sanjit","Effect of an axial coordination environment on quantum tunnelling of magnetization for dysprosium single-ion magnets with theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1464","1473","10.1039/d1dt03678e","","","0.71073","MoKα","","0.0413","0.032","","","0.0615","0.0648","","","","","","1.027","","","","has coordinates","272700","2022-02-04","19:50:20",""
"7709095","21.4811","0.0016","9.7468","0.0009","15.2004","0.0013","90","","100.532","0.002","90","","3128.9","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cl Dy N8 O4 S2 -","- C27 H31 Cl Dy N9 O4 S2 -","- C108 H124 Cl4 Dy4 N36 O16 S8 -","4","1","","Mondal, Arpan; Konar, Sanjit","Effect of an axial coordination environment on quantum tunnelling of magnetization for dysprosium single-ion magnets with theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1464","1473","10.1039/d1dt03678e","","","0.71073","MoKα","","0.0297","0.0224","","","0.0415","0.0435","","","","","","1.056","","","","has coordinates","272700","2022-02-04","19:50:20",""
"7709096","15.6986","0.0009","24.7762","0.0014","26.3491","0.0016","90","","90","","90","","10248.5","1","100","","100","","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C51 H59 Br N3 O5 Re -","- C51 H59 Br N3 O5 Re -","- C408 H472 Br8 N24 O40 Re8 -","8","1","","Álvarez-García, Jonathan; García-Lago, Ramón; Alonso-Gómez, José Lorenzo; López, Carlos Silva; Cid, María Magdalena","Accessible triplet excited states in the photoisomerization of allenes with extended conjugation.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1357","1363","10.1039/d1dt03688b","","","0.71073","MoKα","","0.0897","0.0675","","","0.1456","0.1588","","","","","","1.083","","","","has coordinates,has disorder","272682","2022-02-04","19:43:13",""
"7709097","11.8817","0.0004","12.7992","0.0005","15.9038","0.0006","70.902","0.003","73.484","0.003","86.308","0.003","2190.08","0.15","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H113 Cr3 Gd3 N3 O30 -","- C55 H113 Cr3 Gd3 N3 O30 -","- C55 H113 Cr3 Gd3 N3 O30 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.0562","0.0467","","","0.1101","0.1197","","","","","","1.03","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709098","11.8453","0.0007","12.774","0.0011","15.8177","0.0008","70.849","0.006","73.57","0.005","86.2","0.006","2167.7","0.3","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H111 Cr3 N3 O30 Y3 -","- C54 H111 Cr3 N3 O30 Y3 -","- C54 H111 Cr3 N3 O30 Y3 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.2045","0.1123","","","0.2516","0.3364","","","","","","1.007","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709099","11.84","0.005","12.803","0.005","15.825","0.005","70.741","0.005","73.517","0.005","86.314","0.005","2170.4","1.4","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H113 Cr3 Dy3 N3 O30 -","- C55 H113 Cr3 Dy3 N3 O30 -","- C55 H113 Cr3 Dy3 N3 O30 -","1","1","","Mecchia Ortiz, Juan H.; Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Synthesis, structural characterization, and magnetic property study of {Cr3Ln3}, Ln = Gd and Dy complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03176G","","","0.71073","MoKα","","0.0468","0.0408","","","0.1027","0.1099","","","","","","1.045","","","","has coordinates,has disorder","271424","2021-12-15","00:01:32",""
"7709100","10.5612","0.0005","28.3386","0.0012","7.3454","0.0003","90","","97.741","0.004","90","","2178.37","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br Cl2 Cu N3 O2 -","- C22 H18 Br Cl2 Cu N3 O2 -","- C88 H72 Br4 Cl8 Cu4 N12 O8 -","4","1","","Gu, Yun-Qiong; Zhong, Yu-Jun; Hu, Mei-Qi; Li, Huan-Qing; Yang, Kun; Dong, Qi; Liang, Hong; Chen, Zhen-Feng","Terpyridine copper(II) complexes as potential anticancer agents by inhibiting cell proliferation, blocking the cell cycle and inducing apoptosis in BEL-7402 cells.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1968","1978","10.1039/d1dt02988f","","x-ray","0.71073","MoKα","","0.0613","0.0417","","","0.0917","0.1001","","","","","","1.064","","","","has coordinates","272679","2022-02-04","19:42:07",""
"7709101","18.639","0.006","7.799","0.003","20.545","0.007","90","","96.491","0.004","90","","2967.4","1.8","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Br Cu N3 O5 S -","- C24 H26 Br Cu N3 O5 S -","- C96 H104 Br4 Cu4 N12 O20 S4 -","4","1","","Gu, Yun-Qiong; Zhong, Yu-Jun; Hu, Mei-Qi; Li, Huan-Qing; Yang, Kun; Dong, Qi; Liang, Hong; Chen, Zhen-Feng","Terpyridine copper(II) complexes as potential anticancer agents by inhibiting cell proliferation, blocking the cell cycle and inducing apoptosis in BEL-7402 cells.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1968","1978","10.1039/d1dt02988f","","","0.71073","MoKα","","0.0989","0.078","","","0.2071","0.2237","","","","","","1.067","","","","has coordinates,has disorder","272679","2022-02-04","19:42:07",""
"7709102","12.7892","0.0004","7.3307","0.0003","25.4885","0.001","90","","93.083","0.003","90","","2386.18","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br Cl2 Cu N3 O5 -","- C21 H14 Br Cl2 Cu N3 O5 -","- C84 H56 Br4 Cl8 Cu4 N12 O20 -","4","1","","Gu, Yun-Qiong; Zhong, Yu-Jun; Hu, Mei-Qi; Li, Huan-Qing; Yang, Kun; Dong, Qi; Liang, Hong; Chen, Zhen-Feng","Terpyridine copper(II) complexes as potential anticancer agents by inhibiting cell proliferation, blocking the cell cycle and inducing apoptosis in BEL-7402 cells.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1968","1978","10.1039/d1dt02988f","","x-ray","0.71073","MoKα","","0.078","0.0496","","","0.1095","0.1242","","","","","","1.037","","","","has coordinates,has disorder","272679","2022-02-04","19:42:07",""
"7709103","8.9058","0.0004","10.7978","0.0008","12.8382","0.0007","107.217","0.006","109.817","0.005","92.642","0.005","1094.58","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 Br Cl2 Cu N3 O2 -","- C22 H18 Br Cl2 Cu N3 O2 -","- C44 H36 Br2 Cl4 Cu2 N6 O4 -","2","1","","Gu, Yun-Qiong; Zhong, Yu-Jun; Hu, Mei-Qi; Li, Huan-Qing; Yang, Kun; Dong, Qi; Liang, Hong; Chen, Zhen-Feng","Terpyridine copper(II) complexes as potential anticancer agents by inhibiting cell proliferation, blocking the cell cycle and inducing apoptosis in BEL-7402 cells.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1968","1978","10.1039/d1dt02988f","","x-ray","0.71073","MoKα","","0.0707","0.0446","","","0.0969","0.1108","","","","","","1.06","","","","has coordinates","272679","2022-02-04","19:42:07",""
"7709105","21.8841","0.0004","11.3716","0.0002","29.3532","0.0005","90","","111.49","0.002","90","","6796.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]2Mg2(tBuCP)*hex","","- C69 H105 Mg2 N4 P -","- C69 H105 Mg2 N4 P -","- C276 H420 Mg8 N16 P4 -","4","0.5","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","1.54184","CuKα","","0.0518","0.0418","","","0.1115","0.1201","","","","","","1.027","","","","has coordinates,has disorder","271457","2021-12-16","00:04:51",""
"7709106","14.9573","0.0002","18.0124","0.0002","19.909","0.0002","90","","92.617","0.001","90","","5358.23","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{N(2,4,6-Me-C6H2)}2(CMe)2CH]2Mg2(tBuCP)2","","- C56 H76 Mg2 N4 P2 -","- C56 H76 Mg2 N4 P2 -","- C224 H304 Mg8 N16 P8 -","4","1","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","1.54184","CuKα","","0.0495","0.0377","","","0.0975","0.1056","","","","","","1.028","","","","has coordinates","271457","2021-12-16","00:04:51",""
"7709107","10.7347","0.0011","11.2562","0.001","12.2531","0.0012","73.388","0.009","81.48","0.009","64.513","0.01","1280.2","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H68 Mg2 N6 Si2 -","- C50 H68 Mg2 N6 Si2 -","- C50 H68 Mg2 N6 Si2 -","1","0.5","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","0.71073","MoKα","","0.0602","0.0446","","","0.1006","0.1102","","","","","","1.04","","","","has coordinates","271457","2021-12-16","00:04:52",""
"7709108","13.599","0.0001","22.4045","0.0001","16.8412","0.0001","90","","94.715","0.001","90","","5113.79","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{(tBu)CPMg[N(Mes)C(CH3)]2(CH)]2}2*hex","","- C108 H148 Mg4 N8 P2 -","- C108 H148 Mg4 N8 P2 -","- C216 H296 Mg8 N16 P4 -","2","0.5","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","1.54184","CuKα","","0.0418","0.0375","","","0.1017","0.1061","","","","","","1.041","","","","has coordinates","271457","2021-12-16","00:04:52",""
"7709109","11.6939","0.0007","14.1088","0.0006","19.711","0.0008","72.352","0.004","76.371","0.004","73.373","0.005","2929.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{N(2,4,6-Me-C6H2)}2(CMe)2CH]2Mg2(tBuCP)2(THF)","","- C60 H84 Mg2 N4 O P2 -","- C60 H84 Mg2 N4 O P2 -","- C120 H168 Mg4 N8 O2 P4 -","2","1","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","1.54184","CuKα","","0.0904","0.065","","","0.1663","0.182","","","","","","1.062","","","","has coordinates,has disorder","271457","2021-12-16","00:04:52",""
"7709110","12.195","0.002","22.685","0.005","20.46","0.004","90","","102.65","0.03","90","","5523","2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Mg2 N6 Si2 -","- C54 H76 Mg2 N6 Si2 -","- C216 H304 Mg8 N24 Si8 -","4","1","","Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.","Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers","Dalton Transactions","2022","","","","","10.1039/D1DT03990C","","","0.71073","MoKα","","0.0409","0.0393","","","0.103","0.1042","","","","","","1.038","","","","has coordinates","271457","2021-12-16","00:04:52",""
"7709111","10.117","0.0011","31.818","0.003","12.8882","0.0016","90","","94.567","0.01","90","","4135.6","0.8","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 I2 N4 P2 -","- C42 H50 I2 N4 P2 -","- C168 H200 I8 N16 P8 -","4","1","","Cicac-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","A PH-functionalized dicationic bis(imidazolio)diphosphine","Dalton Transactions","2022","","","","","10.1039/D1DT03978D","","","1.54178","CuKα","","0.0771","0.0438","","","0.0864","0.0995","","","","","","1.027","","","","has coordinates","271485","2021-12-16","23:55:02",""
"7709112","9.5667","0.0006","18.9885","0.0012","14.5915","0.0009","90","","96.065","0.002","90","","2635.8","0.3","153","2","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cl4 Co N4 O2 -","- C28 H16 Cl4 Co N4 O2 -","- C112 H64 Cl16 Co4 N16 O8 -","4","0.5","","Shao, Dong; Moorthy, Shruti; Yang, Xiaodong; Yang, Jiong; Shi, Le; Singh, Saurabh Kumar; Tian, Zhengfang","Tuning the structure and magnetic properties via distinct pyridine derivatives in cobalt(ii) coordination polymers","Dalton Transactions","2022","","","","","10.1039/D1DT03489H","","","0.71073","MoKα","","0.056","0.0403","","","0.1125","0.1258","","","","","","1.019","","","","has coordinates","271486","2021-12-16","23:55:41",""
"7709113","13.1978","0.0006","14.2062","0.0006","16.6293","0.0007","106.618","0.002","91.972","0.002","93.195","0.002","2978.8","0.2","111.98","","111.98","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H34 Cl8 Co2 N8 O4 -","- C62 H34 Cl8 Co2 N8 O4 -","- C124 H68 Cl16 Co4 N16 O8 -","2","1","","Shao, Dong; Moorthy, Shruti; Yang, Xiaodong; Yang, Jiong; Shi, Le; Singh, Saurabh Kumar; Tian, Zhengfang","Tuning the structure and magnetic properties via distinct pyridine derivatives in cobalt(ii) coordination polymers","Dalton Transactions","2022","","","","","10.1039/D1DT03489H","","","0.71073","MoKα","","0.1078","0.0624","","","0.1486","0.1802","","","","","","1.039","","","","has coordinates","271486","2021-12-16","23:55:51",""
"7709114","13.2066","0.0002","23.2676","0.0004","14.0442","0.0003","90","","90","","90","","4315.58","0.14","93","","93","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C44 H45 Cl4 N7 O0.5 Pd2 -","- C44 H45 Cl4 N7 O0.5 Pd2 -","- C176 H180 Cl16 N28 O2 Pd8 -","4","0.5","","Yamashita, Yutaro; Tashiro, Shohei; Ishii, Yoshiki; Uchihashi, Takayuki; Matsushita, Nobuyuki; Kubota, Ryou; Shionoya, Mitsuhiko","Shape-selective one-step synthesis of branched gold nanoparticles on the crystal surface of redox-active Pd<sup>II</sup>-macrocycles.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1318","1324","10.1039/d1dt03973c","","x-ray","1.54184","CuKα","","0.0783","0.0685","","","0.2022","0.2127","","","","","","1.077","","","","has coordinates,has disorder","272691","2022-02-04","19:46:07",""
"7709115","9.884","0.0006","15.1727","0.001","19.1312","0.0012","90","","96.075","0.002","90","","2852.9","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Carbonyl-bromide-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}-(η2-C,C?-2-propinylpyridine)-tungsten(II)","","- C27 H35 B Br N7 O W -","- C27 H35 B Br N7 O W -","- C108 H140 B4 Br4 N28 O4 W4 -","4","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.0737","0.0385","","","0.0579","0.0669","","","","","","1.058","","","","has coordinates","271549","2021-12-20","23:55:14",""
"7709116","44.299","0.016","10.596","0.004","16.986","0.006","90","","102.482","0.012","90","","7785","5","123","2","123","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","Carbonyl-iodido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}-(η2-C,C?-2-propinyldiphenylphosphine)-tungsten(II)","","- C36.8 H47.61 B Cl0.61 I N6 O P W -","- C36.803 H47.606 B Cl0.606 I N6 O P W -","- C294.424 H380.848 B8 Cl4.848 I8 N48 O8 P8 W8 -","8","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.0783","0.0527","","","0.1288","0.1465","","","","","","1.101","","","","has coordinates,has disorder","271549","2021-12-20","23:55:15",""
"7709117","13.1304","0.0009","10.529","0.0007","35.658","0.002","90","","100.466","0.002","90","","4847.7","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,3-diphenylphosphinyl)propane-ruthenium(I)chloride","","- C57.57 H59.14 Cl1.23 O0.89 P4 Ru -","- C57.572 H59.144 Cl1.226 O0.893 P4 Ru -","- C230.288 H236.576 Cl4.904 O3.572 P16 Ru4 -","4","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.068","0.0522","","","0.1017","0.1062","","","","","","1.196","","","","has coordinates,has disorder","271549","2021-12-20","23:55:15",""
"7709118","10.103","0.002","16.208","0.004","18.094","0.004","85.391","0.006","75.116","0.005","75.734","0.005","2774.7","1.1","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","Carbonyl-bromido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}tungsten(II)-(μ-η2-C,C?-κ2-C,N-prop-1-in-1,3-diylpyridine)-bis(2,2-phendiylpyridine)iridium(III)","","- C53 H58 B Br Cl8 Ir N9 O W -","- C49 H50 B Br Ir N9 O W -","- C98 H100 B2 Br2 Ir2 N18 O2 W2 -","2","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.1042","0.0631","","","0.1384","0.1518","","","","","","0.962","","","","has coordinates","271549","2021-12-20","23:55:15",""
"7709119","10.9589","0.0009","11.3595","0.0009","32.95","0.003","97.652","0.003","93.12","0.003","92.069","0.003","4055.4","0.6","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","like-Bis[carbonyl-iodido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}-(η2-C,C?-2-propin-1,3-diyldiphenylphosphine)-digold(I)","","- C70.89 H84.95 Au2 B2 Cl5.77 I2 N12 O2 P2 W2 -","- C70.878 H84.93 Au1.9999 B2 Cl5.756 I2 N12 O2 P2 W2 -","- C141.756 H169.86 Au3.9998 B4 Cl11.512 I4 N24 O4 P4 W4 -","2","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.0778","0.0458","","","0.0885","0.1004","","","","","","1.033","","","","has coordinates,has disorder","271549","2021-12-20","23:55:15",""
"7709120","30.5669","0.0019","18.0426","0.0012","19.5693","0.001","90","","90","","90","","10792.6","1.1","123","2","123","2","","","","","","","","11","P b c n","-P 2n 2ab","60","","Carbonyl-bromido-tris{hydrido(3,4,5-trimethylpyrazolyl)borato}tungsten(II)-(μ-η2-C,C?-κ2-C,N-prop-1-in-1,3-diylpyridine)-bis(2,2?-bipyridine)ruthenium(II)-hexafluorophosphate","","- C48.38 H52.75 B Br Cl2.75 F6 N11 O P Ru W -","- C47.5 H51 B Br Cl F6 N11 O P Ru W -","- C380 H408 B8 Br8 Cl8 F48 N88 O8 P8 Ru8 W8 -","8","1","","Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy","Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02393D","","","0.71073","MoKα","","0.0643","0.0479","","","0.0701","0.0743","","","","","","1.161","","","","has coordinates,has disorder","271549","2021-12-20","23:55:16",""
"7709121","7.6525","0.0003","13.5408","0.0006","17.703","0.0006","74.093","0.003","88.444","0.003","87.655","0.003","1762.44","0.12","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Dy N7 O16 -","- C34 H26 Dy N7 O16 -","- C68 H52 Dy2 N14 O32 -","2","1","","Yang, Hui; Liu, Shan-Shan; Meng, Yin-Shan; Zhang, Yi-Quan; Pu, Lin; Wang, Xincheng; Lin, Shijing","Four mononuclear dysprosium complexes with neutral Schiff-base ligands: syntheses, crystal structures and slow magnetic relaxation behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03701C","","x-ray","1.54184","CuKα","","0.0628","0.0591","","","0.1481","0.1534","","","","","","1.054","","","","has coordinates","271550","2021-12-20","23:57:05",""
"7709122","9.159","0.0003","13.0834","0.0004","16.2171","0.0004","74.391","0.003","75.603","0.003","88.261","0.003","1811.47","0.1","294.3","0.7","294.3","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl2 Dy N5 O12 -","- C35 H28 Cl2 Dy N5 O12 -","- C70 H56 Cl4 Dy2 N10 O24 -","2","1","","Yang, Hui; Liu, Shan-Shan; Meng, Yin-Shan; Zhang, Yi-Quan; Pu, Lin; Wang, Xincheng; Lin, Shijing","Four mononuclear dysprosium complexes with neutral Schiff-base ligands: syntheses, crystal structures and slow magnetic relaxation behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03701C","","x-ray","1.54184","CuKα","","0.045","0.0429","","","0.1098","0.1124","","","","","","1.0401","","","","has coordinates","271550","2021-12-20","23:57:05",""
"7709123","16.6705","0.0005","19.3672","0.0005","17.533","0.0007","90","","116.048","0.004","90","","5085.7","0.3","285","16","285","16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H36 Dy I3 N6 O12 -","- C51 H36 Dy I3 N6 O12 -","- C204 H144 Dy4 I12 N24 O48 -","4","1","","Yang, Hui; Liu, Shan-Shan; Meng, Yin-Shan; Zhang, Yi-Quan; Pu, Lin; Wang, Xincheng; Lin, Shijing","Four mononuclear dysprosium complexes with neutral Schiff-base ligands: syntheses, crystal structures and slow magnetic relaxation behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03701C","","x-ray","1.54184","CuKα","","0.0852","0.0679","","","0.1779","0.2039","","","","","","1.0368","","","","has coordinates","271550","2021-12-20","23:57:05",""
"7709124","13.8649","0.0004","14.6451","0.0005","14.8049","0.0004","84.285","0.003","73.708","0.003","71.392","0.003","2734.45","0.16","295.3","0.5","295.3","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Dy N7 O15 -","- C56 H48 Dy N7 O15 -","- C112 H96 Dy2 N14 O30 -","2","1","","Yang, Hui; Liu, Shan-Shan; Meng, Yin-Shan; Zhang, Yi-Quan; Pu, Lin; Wang, Xincheng; Lin, Shijing","Four mononuclear dysprosium complexes with neutral Schiff-base ligands: syntheses, crystal structures and slow magnetic relaxation behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03701C","","x-ray","1.54184","CuKα","","0.0775","0.0695","","","0.1746","0.1833","","","","","","1.013","","","","has coordinates","271550","2021-12-20","23:57:05",""
"7709125","11.7933","0.0003","17.2288","0.0004","18.8687","0.0005","63.799","0.002","81.414","0.002","83.195","0.002","3395.37","0.16","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H172 F36 Mn3 N24 O16 P6 Pt6 -","- C76 H172 F36 Mn3 N24 O16 P6 Pt6 -","- C76 H172 F36 Mn3 N24 O16 P6 Pt6 -","1","0.5","","Uemura, Kazuhiro; Aoki, Yusuke; Takamori, Atsushi","Paramagnetic one-dimensional chains containing high-spin manganese atoms showing antiferromagnetic interaction through –Pt–Rh–Rh–Pt– bonds","Dalton Transactions","2022","","","","","10.1039/D1DT03537A","","","0.71073","MoKα","","0.0452","0.0348","","","0.0996","0.1116","","","","","","0.835","","","","has coordinates,has disorder","271551","2021-12-20","23:57:46",""
"7709126","13.3429","0.0006","14.0834","0.0006","17.3084","0.0008","105.038","0.004","102.407","0.004","94.234","0.004","3038.7","0.3","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H140 F24 Mn2 N16 O27 P4 Pt4 Rh4 -","- C62 H140 F24 Mn2 N16 O27 P4 Pt4 Rh4 -","- C62 H140 F24 Mn2 N16 O27 P4 Pt4 Rh4 -","1","0.5","","Uemura, Kazuhiro; Aoki, Yusuke; Takamori, Atsushi","Paramagnetic one-dimensional chains containing high-spin manganese atoms showing antiferromagnetic interaction through –Pt–Rh–Rh–Pt– bonds","Dalton Transactions","2022","","","","","10.1039/D1DT03537A","","","0.71073","MoKα","","0.0758","0.0572","","","0.1466","0.1714","","","","","","1.062","","","","has coordinates","271551","2021-12-20","23:57:46",""
"7709128","13.211","0.002","9.615","0.002","23.311","0.003","90","","95.76","0.02","90","","2946.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br0.17 Cl0.83 Sb -","- C30 H46 Br0.1721 Cl0.828 Sb -","- C120 H184 Br0.6884 Cl3.312 Sb4 -","4","1","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.71073","MoKα","","0.0229","0.0194","","","0.0447","0.0461","","","","","","1.051","","","","has coordinates,has disorder","272664","2022-02-04","19:37:03",""
"7709129","11.492","0.002","12.81","0.002","13.501","0.003","97.01","0.02","107.72","0.02","98.91","0.02","1839.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H96 Br3.42 Cl10.58 Mg4 O12 Sb2 -","- C48 H96 Br3.416 Cl10.584 Mg4 O12 Sb2 -","- C48 H96 Br3.416 Cl10.584 Mg4 O12 Sb2 -","1","0.5","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.56086","AgKα","","0.0408","0.0261","","","0.0573","0.0633","","","","","","1.018","","","","has coordinates,has disorder","272664","2022-02-04","19:37:04",""
"7709130","11.723","0.002","12.824","0.002","13.869","0.003","81.53","0.02","89.9","0.02","69.05","0.02","1923","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H62 Li O2 Sb -","- C38 H62 Li O2 Sb -","- C76 H124 Li2 O4 Sb2 -","2","1","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.71073","MoKα","","0.0236","0.021","","","0.0534","0.0562","","","","","","1.139","","","","has coordinates,has disorder","272664","2022-02-04","19:37:04",""
"7709131","14.024","0.003","14.249","0.003","14.446","0.002","66.86","0.02","61.49","0.02","78.69","0.02","2332.4","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 Na O Sb -","- C48 H70 Na O Sb -","- C96 H140 Na2 O2 Sb2 -","2","1","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.71073","MoKα","","0.0431","0.0337","","","0.0719","0.0816","","","","","","1.153","","","","has coordinates,has disorder","272664","2022-02-04","19:37:04",""
"7709132","13.255","0.002","19.142","0.003","25.81","0.004","108.36","0.03","92.72","0.02","90.1","0.02","6207","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H106 Sb2 -","- C66 H106 Sb2 -","- C264 H424 Sb8 -","4","2","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.71073","MoKα","","0.0426","0.0363","","","0.0777","0.0803","","","","","","1.169","","","","has coordinates,has disorder","272664","2022-02-04","19:37:04",""
"7709133","14.898","0.002","36.172","0.003","23.327","0.003","90","","101.37","0.02","90","","12324","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 H199 K3 O5 Sb3 -","- C119 H199 K3 O5 Sb3 -","- C476 H796 K12 O20 Sb12 -","4","1","","Nag, Ekta; Kulkarni, Aditya; Gorantla, Sai Manoj N. V. T.; Graw, Nico; Francis, Maria; Herbst-Irmer, Regine; Stalke, Dietmar; Roesky, Herbert W.; Mondal, Kartik Chandra; Roy, Sudipta","Fluorescent organo-antimony compounds as precursors for syntheses of redox-active trimeric and dimeric alkali metal antimonides: an insight into electron transfer reduction processes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1791","1805","10.1039/d1dt03398k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0657","0.0731","","","","","","1.061","","","","has coordinates,has disorder","272664","2022-02-04","19:37:04",""
"7709134","25.0768","0.0012","17.7222","0.0008","30.3551","0.0015","90","","106.586","0.002","90","","12929","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H81 N41 Nd6 O39 -","- C83 H73 N41 Nd6 O39 -","- C332 H292 N164 Nd24 O156 -","4","0.5","","Das, Krishna Sundar; Saha, Sayan; Pal, Baishakhi; Adhikary, Amit; Moorthy, Shruti; Bala, Sukhen; Akhtar, Sohel; Ghose, Pradeepta Kumar; Singh, Saurabh Kumar; Ray, Partha Pratim; Mondal, Raju","A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1617","1633","10.1039/d1dt02364k","","","0.71073","MoKα","","0.1422","0.0836","","","0.2226","0.2582","","","","","","1.57","","","","has coordinates","272698","2022-02-04","19:50:01",""
"7709135","10.2101","0.0002","13.2214","0.0002","22.7451","0.0004","90","","90","","90","","3070.4","0.09","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H52 N O Sc Si2 -","- C27 H52 N O Sc Si2 -","- C108 H208 N4 O4 Sc4 Si8 -","4","1","","Münster, Katharina; Raeder, Jan; Walter, Marc D.","Synthesis and characterisation of an enantiomerically pure scandium pentadienyl complex and its application in the polymerisation of rac-lactide","Dalton Transactions","2022","","","","","10.1039/D1DT03920B","","x-ray","1.54184","CuKα","","0.0401","0.0368","","","0.0945","0.0963","","","","","","1.066","","","","has coordinates","271571","2021-12-22","00:02:45",""
"7709136","10.4836","0.0007","19.3332","0.0013","13.532","0.0009","90","","99.614","0.002","90","","2704.2","0.3","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Co F12 N6 O4 P2 -","- C15 H28 Co F12 N6 O4 P2 -","- C60 H112 Co4 F48 N24 O16 P8 -","4","1","","Pérez-Lourido, Paulo; Madarasi, Enikő; Antal, Fanni; Esteban-Gómez, David; Wang, Gaoji; Angelovski, Goran; Platas-Iglesias, Carlos; Tircsó, Gyula; Valencia, Laura","Stable and inert macrocyclic cobalt(II) and nickel(II) complexes with paraCEST response.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1580","1593","10.1039/d1dt03217h","","","0.71073","MoKα","","0.0611","0.0517","","","0.1284","0.1341","","","","","","1.034","","","","has coordinates","272684","2022-02-04","19:44:13",""
"7709137","10.2809","0.0006","10.4879","0.0006","11.4557","0.0007","66.997","0.002","78.831","0.002","85.433","0.002","1115.45","0.12","116","2","115.92","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl2 N6 Ni O10 -","- C15 H24 Cl2 N6 Ni O10 -","- C30 H48 Cl4 N12 Ni2 O20 -","2","1","","Pérez-Lourido, Paulo; Madarasi, Enikő; Antal, Fanni; Esteban-Gómez, David; Wang, Gaoji; Angelovski, Goran; Platas-Iglesias, Carlos; Tircsó, Gyula; Valencia, Laura","Stable and inert macrocyclic cobalt(II) and nickel(II) complexes with paraCEST response.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1580","1593","10.1039/d1dt03217h","","","0.71073","MoKα","","0.0334","0.0324","","","0.0792","0.0798","","","","","","1.03","","","","has coordinates","272684","2022-02-04","19:44:14",""
"7709138","15.9022","0.0006","12.0154","0.0004","16.8911","0.0005","90","","90","","90","","3227.4","0.19","100","2","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H40 F12 N6 Ni O2 P2 -","- C23 H40 F12 N6 Ni O2 P2 -","- C92 H160 F48 N24 Ni4 O8 P8 -","4","1","","Pérez-Lourido, Paulo; Madarasi, Enikő; Antal, Fanni; Esteban-Gómez, David; Wang, Gaoji; Angelovski, Goran; Platas-Iglesias, Carlos; Tircsó, Gyula; Valencia, Laura","Stable and inert macrocyclic cobalt(II) and nickel(II) complexes with paraCEST response.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1580","1593","10.1039/d1dt03217h","","","0.71073","MoKα","","0.0266","0.0242","","","0.0559","0.0568","","","","","","1.033","","","","has coordinates","272684","2022-02-04","19:44:14",""
"7709139","11.7343","0.0011","33.137","0.003","17.0102","0.0017","90","","90.496","0.003","90","","6614","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Co2 F24 N12 O4 P4 -","- C46 H80 Co2 F24 N12 O4 P4 -","- C184 H320 Co8 F96 N48 O16 P16 -","4","1","","Pérez-Lourido, Paulo; Madarasi, Enikő; Antal, Fanni; Esteban-Gómez, David; Wang, Gaoji; Angelovski, Goran; Platas-Iglesias, Carlos; Tircsó, Gyula; Valencia, Laura","Stable and inert macrocyclic cobalt(II) and nickel(II) complexes with paraCEST response.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1580","1593","10.1039/d1dt03217h","","","0.71073","MoKα","","0.0792","0.0697","","","0.1758","0.1836","","","","","","1.015","","","","has coordinates","272684","2022-02-04","19:44:14",""
"7709140","10.47","","10.47","","8.819","","90","","90","","120","","837.227","","","","","","","","","","","","","3","P 63","P 6c","173","","Barium Dialuminium Oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al16 Ba8 O32 -","8","1.33333","","Yin, Xiaomeng; Lin, Hui; Zhang, Dawei; Hong, Ruijin; Tao, Chunxian; Han, Zhaoxia; Zhou, Shengming; Zhang, Zhi-Jun; Zheng, Guanhaoije","BaAl<sub>2</sub>O<sub>4</sub>:Eu<sup>2+</sup>-Al<sub>2</sub>O<sub>3</sub> ceramics for wide range optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1784","1790","10.1039/d1dt03416b","","","","","","0.12","","","","","","","","","","","","","","","has coordinates","272665","2022-02-04","19:37:11",""
"7709141","20.5783","0.0007","18.5015","0.0005","33.6485","0.0009","90","","106.977","0.003","90","","12252.7","0.7","150","0.1","150","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C42.5 H49.5 As B Cl9.5 Ir N6 O2 W -","- C42.5 H49.5 As B Cl9.5 Ir N6 O2 W -","- C340 H396 As8 B8 Cl76 Ir8 N48 O16 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.078","0.0524","","","0.1232","0.1352","","","","","","0.991","","","","has coordinates,has disorder","272672","2022-02-04","19:40:24",""
"7709142","10.3361","0.001","14.4715","0.0011","14.753","0.0014","60.653","0.009","72.213","0.008","88.996","0.007","1808.2","0.4","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C62 H66 As2 B2 Cl8 N12 O4 Pt W2 -","- C62 H66 As2 B2 Cl8 N12 O4 Pt W2 -","- C62 H66 As2 B2 Cl8 N12 O4 Pt W2 -","1","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.1119","0.0602","","","0.1267","0.1622","","","","","","0.893","","","","has coordinates","272672","2022-02-04","19:40:24",""
"7709143","18.6734","0.0006","10.6507","0.0003","33.0022","0.0011","90","","97.722","0.003","90","","6504.1","0.4","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 As2 B2 Cl2 N12 O4 Pt W2 -","- C60 H64 As2 B2 Cl2 N12 O4 Pt W2 -","- C240 H256 As8 B8 Cl8 N48 O16 Pt4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.0698","0.0498","","","0.0983","0.1057","","","","","","1.151","","","","has coordinates","272672","2022-02-04","19:40:24",""
"7709144","19.4992","0.0005","12.8152","0.0002","18.741","0.0004","90","","117.454","0.003","90","","4155.71","0.19","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 As B Cl2 N6 O2 Os W -","- C40 H46 As B Cl2 N6 O2 Os W -","- C160 H184 As4 B4 Cl8 N24 O8 Os4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.0396","0.0327","","","0.0821","0.0871","","","","","","1.025","","","","has coordinates","272672","2022-02-04","19:40:24",""
"7709145","7.9239","0.0002","19.436","0.0006","25.6769","0.0011","90","","90","","90","","3954.5","0.2","150.01","0.1","150.01","0.1","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 As B Cl2 F3 N6 O5 S W -","- C33 H37 As B Cl2 F3 N6 O5 S W -","- C132 H148 As4 B4 Cl8 F12 N24 O20 S4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.0563","0.0467","","","0.104","0.11","","","","","","1.029","","","","has coordinates","272672","2022-02-04","19:40:24",""
"7709146","23.5578","0.0009","16.1269","0.0006","23.1612","0.0009","90","","106.357","0.004","90","","8443.1","0.6","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H33.5 As Au2 B Cl6.5 N6 O2 W -","- C31.5 H33.5 As Au2 B Cl6.5 N6 O2 W -","- C252 H268 As8 Au16 B8 Cl52 N48 O16 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","0.71073","MoKα","","0.0414","0.0327","","","0.071","0.0749","","","","","","1.05","","","","has coordinates,has disorder","272672","2022-02-04","19:40:24",""
"7709147","24.203","0.002","7.732","0.0003","21.929","0.0016","90","","116.143","0.01","90","","3683.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 Cs3 Cu S8 -","- As4 Cs3 Cu S8 -","- As32 Cs24 Cu8 S64 -","8","1","","Liu, Chang; Yang, He-Di; Hou, Pei-Pei; Xiao, Yu; Liu, Yi; Lin, Hua","Cs3CuAs4Q8 (Q = S, Se): unique two-dimensional layered inorganic thioarsenates with the lowest Cu-to-As ratio and remarkable photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D1DT03801J","","","0.71073","MoKα","","0.0619","0.054","","","0.1547","0.1649","","","","","","1.104","","","","has coordinates","271591","2021-12-22","23:54:01",""
"7709148","24.856","0.005","8.0456","0.0016","22.602","0.005","90","","116.93","0.03","90","","4029.8","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 Cs3 Cu Se8 -","- As4 Cs3 Cu Se8 -","- As32 Cs24 Cu8 Se64 -","8","1","","Liu, Chang; Yang, He-Di; Hou, Pei-Pei; Xiao, Yu; Liu, Yi; Lin, Hua","Cs3CuAs4Q8 (Q = S, Se): unique two-dimensional layered inorganic thioarsenates with the lowest Cu-to-As ratio and remarkable photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D1DT03801J","","","0.71073","MoKα","","0.0533","0.0445","","","0.1088","0.115","","","","","","1.047","","","","has coordinates","271591","2021-12-22","23:54:02",""
"7709149","19.6528","0.0004","18.6233","0.0003","19.0075","0.0004","90","","95.49","0.0018","90","","6924.8","0.2","93","","93","","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C61 H66 B F27 Mo N2 O3 P2 S -","- C61 H66 B F27 Mo N2 O4 P2 S -","- C244 H264 B4 F108 Mo4 N8 O16 P8 S4 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0677","0.063","","","0.1626","0.167","","","","","","1.033","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709150","15.8268","0.0006","15.8794","0.0005","12.0854","0.0004","90","","104.863","0.004","90","","2935.68","0.18","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 I Mo N2 O P2 -","- C24 H43 I Mo N2 O P2 -","- C96 H172 I4 Mo4 N8 O4 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0753","0.0509","","","0.1255","0.1361","","","","","","1.082","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709151","14.8514","0.0003","14.5855","0.0003","20.1014","0.0005","90","","102.659","0.002","90","","4248.42","0.17","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 I Mo N4 O3 P2 -","- C41 H61 I Mo N4 O3 P2 -","- C164 H244 I4 Mo4 N16 O12 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0723","0.0546","","","0.1314","0.143","","","","","","0.992","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709152","13.3884","0.0003","14.0757","0.0004","37.3799","0.0008","90","","90","","90","","7044.3","0.3","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H65 B F24 Mo N2 O3 P2 -","- C69 H65 B F24 Mo N2 O3 P2 -","- C276 H260 B4 F96 Mo4 N8 O12 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0993","0.0764","","","0.1866","0.2002","","","","","","0.987","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709153","16.1322","0.0004","10.9355","0.0004","15.4225","0.0005","90","","98.881","0.003","90","","2688.12","0.15","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Mo N2 O P2 -","- C24 H42 Mo N2 O P2 -","- C96 H168 Mo4 N8 O4 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0968","0.0766","","","0.2015","0.2131","","","","","","1.091","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709154","13.0791","0.0005","15.0104","0.0004","15.3134","0.0005","90","","106.185","0.004","90","","2887.21","0.17","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 Cl I Mo N O P2 -","- C23 H43 Cl I Mo N O P2 -","- C92 H172 Cl4 I4 Mo4 N4 O4 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0682","0.0516","","","0.131","0.1412","","","","","","1.07","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709155","11.3993","0.0003","24.5388","0.0004","15.2165","0.0003","90","","106.053","0.002","90","","4090.46","0.16","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 Cl I Mo N2 O P2 -","- C37 H54 Cl I Mo N2 O P2 -","- C148 H216 Cl4 I4 Mo4 N8 O4 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0721","0.0589","","","0.1626","0.1739","","","","","","1.112","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709156","12.6123","0.0005","17.4852","0.0005","23.5748","0.0008","90","","102.857","0.004","90","","5068.6","0.3","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 I Mo N2 O2 P2 -","- C51 H63 I Mo N2 O2 P2 -","- C204 H252 I4 Mo4 N8 O8 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0826","0.0607","","","0.1645","0.178","","","","","","1.041","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709157","7.3682","0.0007","7.3765","0.0007","9.1496","0.0009","77.206","0.004","77.592","0.004","69.48","0.003","449.02","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C22 H16 N8 -","2","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0738","0.0514","","","0.1127","0.1222","","","","","","1.039","","","","has coordinates","271593","2021-12-22","23:58:42",""
"7709158","6.9365","0.0003","10.1955","0.0005","12.7905","0.0006","90","","99.289","0.001","90","","892.7","0.07","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.048","0.0413","","","0.0997","0.1032","","","","","","1.13","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709159","15.9545","0.0009","9.4496","0.0005","11.2888","0.0005","90","","110.631","0.002","90","","1592.79","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N4 O3 Zn -","- C16 H15 N4 O3 Zn -","- C64 H60 N16 O12 Zn4 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0779","0.045","","","0.1068","0.1202","","","","","","1.03","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709160","6.8153","0.0003","18.8138","0.0009","7.7716","0.0004","90","","113.895","0.001","90","","911.08","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0629","0.054","","","0.1281","0.1324","","","","","","1.133","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709161","8.5507","0.0003","11.2088","0.0004","13.9264","0.0006","90","","91.24","0.001","90","","1334.44","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N6 O6 Zn -","- C11 H8 N6 O6 Zn -","- C44 H32 N24 O24 Zn4 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0326","0.0262","","","0.0623","0.0646","","","","","","1.058","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709162","10.9868","0.0007","4.5407","0.0003","18.0875","0.0012","90","","90","","90","","902.34","0.1","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0436","0.0399","","","0.0906","0.0923","","","","","","1.078","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709163","24.908","0.003","7.1377","0.0007","16.5359","0.0017","90","","90","","90","","2939.8","0.5","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H10 N6 O7 Zn -","- C11 H10 N6 O7 Zn -","- C88 H80 N48 O56 Zn8 -","8","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0765","0.0549","","","0.0991","0.1059","","","","","","1.112","","","","has coordinates","271593","2021-12-22","23:58:43",""
"7709164","13.5157","0.0009","23.5974","0.0016","10.2149","0.0007","90","","109.652","0.002","90","","3068.1","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H50 N26 O14 Zn2 -","- C59 H50 N26 O14 Zn2 -","- C118 H100 N52 O28 Zn4 -","2","0.5","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.1628","0.0939","","","0.1304","0.1515","","","","","","1.075","","","","has coordinates,has disorder","271593","2021-12-22","23:58:43",""
"7709165","6.9228","0.0007","15.0043","0.0014","17.534","0.0015","90","","98.558","0.002","90","","1801","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N6 O11 Zn -","- C11 H18 N6 O11 Zn -","- C44 H72 N24 O44 Zn4 -","4","1","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0953","0.0631","","","0.1132","0.122","","","","","","1.144","","","","has coordinates","271593","2021-12-22","23:58:44",""
"7709166","26.481","0.002","9.7011","0.0009","16.5236","0.0015","90","","124.005","0.002","90","","3518.9","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N15 O12 Zn2 -","- C28 H25 N15 O12 Zn2 -","- C112 H100 N60 O48 Zn8 -","4","0.5","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0829","0.0538","","","0.1188","0.1303","","","","","","1.098","","","","has coordinates,has disorder","271593","2021-12-22","23:58:44",""
"7709167","35.314","0.004","9.6459","0.001","11.2289","0.0011","90","","102.392","0.003","90","","3735.8","0.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O4 Zn2 -","- C26 H16 N6 O4 Zn2 -","- C104 H64 N24 O16 Zn8 -","4","0.5","","Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S.","Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines","Dalton Transactions","2022","","","","","10.1039/D1DT04007C","","","0.71073","MoKα","","0.0756","0.0514","","","0.1219","0.1302","","","","","","1.025","","","","has coordinates,has disorder","271593","2021-12-22","23:58:44",""
"7709168","24.28388","0.00012","22.79629","0.00011","14.35553","0.00007","90","","90","","90","","7946.97","0.07","130","1","130","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C72 H76 O14 Si12 -","- C72 H76 O14 Si12 -","- C288 H304 O56 Si48 -","4","1","","Mrzygłód, Aleksandra; Kubicki, Maciej; Dudziec, Beata","Vinyl- and chloromethyl-substituted mono-T8 and double-decker silsesquioxanes as specific cores to low generation dendritic systems","Dalton Transactions","2022","","","","","10.1039/D1DT04012J","","x-ray","1.54184","CuKα","","0.0418","0.0411","","","0.1146","0.1156","","","","","","1.036","","","","has coordinates","271611","2021-12-23","23:51:07",""
"7709169","14.3315","0.00008","21.30979","0.00012","21.06412","0.00011","90","","98.1972","0.0005","90","","6367.28","0.06","130","1","130","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 O13 Si10 -","- C60 H58 O13 Si10 -","- C240 H232 O52 Si40 -","4","1","","Mrzygłód, Aleksandra; Kubicki, Maciej; Dudziec, Beata","Vinyl- and chloromethyl-substituted mono-T8 and double-decker silsesquioxanes as specific cores to low generation dendritic systems","Dalton Transactions","2022","","","","","10.1039/D1DT04012J","","x-ray","1.54184","CuKα","","0.0421","0.039","","","0.1031","0.105","","","","","","1.051","","","","has coordinates","271611","2021-12-23","23:51:08",""
"7709170","26.912","0.004","7.1244","0.0009","28.323","0.004","90","","109.957","0.005","90","","5104.3","1.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C37 H50 B20 Cu2 N O11 -","- C33 H41 B20 Cu2 O10 -","- C132 H164 B80 Cu8 O40 -","4","1","","Li, Zhen; Choquesillo-Lazarte, Duane; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Planas, José G.","Rational design of carborane-based Cu2-paddle wheel coordination polymers for increased hydrolytic stability","Dalton Transactions","2022","","","","","10.1039/D1DT04065K","","","1.54178","CuKα","","0.1436","0.0694","","","0.1695","0.2078","","","","","","0.95","","","","has coordinates,has disorder","271612","2021-12-23","23:51:40",""
"7709171","10.7707","0.0005","10.8284","0.0006","12.2278","0.0006","110.589","0.002","103.611","0.002","96.697","0.002","1266","0.11","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Mn N4 P2 -","- C54 H76 Mn N4 P2 -","- C54 H76 Mn N4 P2 -","1","0.5","","Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.","Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1765","1768","10.1039/d1dt03805b","","","0.71073","MoKα","","0.0784","0.0469","","","0.0854","0.0937","","","","","","1.023","","","","has coordinates","272669","2022-02-04","19:38:25",""
"7709172","11.4888","0.0009","15.4353","0.0012","16.6387","0.0012","84.19","0.006","77.76","0.006","89.53","0.006","2868.4","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H180 K2 Mn2 N10 O12 Si12 -","- C72 H180 K2 Mn2 N10 O12 Si12 -","- C72 H180 K2 Mn2 N10 O12 Si12 -","1","0.5","","Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.","Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1765","1768","10.1039/d1dt03805b","","x-ray","0.71073","MoKα","K-L~2,3~","0.0466","0.0323","","","0.0805","0.0842","","","","","","1.016","","","","has coordinates","272669","2022-02-04","19:38:25",""
"7709173","16.9431","0.0012","26.5429","0.0014","18.8061","0.0013","90","","102.993","0.006","90","","8240.9","0.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H132 K2 Mn N5 O4 P Si6 -","- C61 H132 K2 Mn N5 O4 P Si6 -","- C244 H528 K8 Mn4 N20 O16 P4 Si24 -","4","1","","Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.","Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1765","1768","10.1039/d1dt03805b","","","0.71073","MoKα","","0.0887","0.0407","","","0.0813","0.0906","","","","","","0.908","","","","has coordinates,has disorder","272669","2022-02-04","19:38:25",""
"7709174","16.989","0.0017","26.471","0.003","18.6846","0.0019","90","","103.571","0.008","90","","8168.2","1.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H132 Fe K2 N5 O4 P Si6 -","- C61 H132 Fe K2 N5 O4 P Si6 -","- C244 H528 Fe4 K8 N20 O16 P4 Si24 -","4","1","","Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.","Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}<sub>2</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1765","1768","10.1039/d1dt03805b","","","0.71073","MoKα","","0.1261","0.059","","","0.1338","0.1525","","","","","","0.896","","","","has coordinates,has disorder","272669","2022-02-04","19:38:25",""
"7709175","15.901","0.0006","14.1221","0.0005","17.6833","0.0009","90","","90","","90","","3970.9","0.3","174","2","174","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H25.6 Cl2 N6 O8 Zr -","- C11 H25.6 Cl2 N6 O8 Zr -","- C88 H204.8 Cl16 N48 O64 Zr8 -","8","1","","Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.","Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1806","1818","10.1039/d1dt03641f","","","0.71073","MoKα","","0.0538","0.0345","","","0.0733","0.0801","","","","","","1.041","","","","has coordinates,has disorder","272675","2022-02-04","19:40:51",""
"7709176","14.456","0.004","40.268","0.01","14.682","0.004","90","","91.042","0.004","90","","8545","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85.85 H112 Cl9.6 K8.6 N48 O69.94 Zr10 -","- C85.86 H112 Cl9.6 K8.6 N48 O69.946 Zr10 -","- C171.72 H224 Cl19.2 K17.2 N96 O139.892 Zr20 -","2","0.5","","Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.","Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1806","1818","10.1039/d1dt03641f","","","0.71073","MoKα","","0.1086","0.0581","","","0.1233","0.1508","","","","","","1.02","","","","has coordinates,has disorder","272675","2022-02-04","19:40:51",""
"7709177","23.6153","0.0016","12.3232","0.0008","24.0156","0.0017","90","","117.754","0.003","90","","6184.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H93 Cl Ga2 N5 P -","- C61.5 H89 Cl Ga2 N5 P -","- C246 H356 Cl4 Ga8 N20 P4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","1.54178","CuKα","","0.0331","0.0304","","","0.0826","0.0853","","","","","","1.044","","","","has coordinates,has disorder","272693","2022-02-04","19:46:56",""
"7709178","21.415","0.002","39.087","0.004","16.2869","0.0017","90","","90","","90","","13633","2","120","2","120","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C66 H92 Cl Ga2 N4 O P -","- C66 H91 Cl Ga2 N4 O P -","- C528 H728 Cl8 Ga16 N32 O8 P8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","0.71073","MoKα","","0.04","0.0316","","","0.0878","0.092","","","","","","1.036","","","","has coordinates","272693","2022-02-04","19:46:56",""
"7709179","23.424","0.003","17.838","0.002","17.24","0.0019","90","","97.743","0.003","90","","7137.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H104 Cl Ga2 N4 P Se -","- C78 H104 Cl Ga2 N4 P Se -","- C312 H416 Cl4 Ga8 N16 P4 Se4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","0.71073","MoKα","","0.0627","0.0367","","","0.0778","0.0868","","","","","","1.042","","","","has coordinates,has disorder","272693","2022-02-04","19:46:56",""
"7709180","42.1677","0.0008","18.8932","0.0004","16.6565","0.0003","90","","90","","90","","13269.9","0.4","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H96 Cl Ga2 N4 P S -","- C71 H96 Cl Ga2 N4 P S -","- C568 H768 Cl8 Ga16 N32 P8 S8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","0.71073","MoKα","","0.0581","0.0392","","","0.0827","0.0896","","","","","","1.132","","","","has coordinates,has disorder","272693","2022-02-04","19:46:56",""
"7709181","18.4348","0.0008","16.878","0.0008","41.2991","0.0018","90","","90","","90","","12849.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H99 Cl Ga2 N5 P -","- C68 H99 Cl Ga2 N5 P -","- C544 H792 Cl8 Ga16 N40 P8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","1.54178","CuKα","","0.0311","0.0305","","","0.0804","0.0808","","","","","","1.061","","","","has coordinates","272693","2022-02-04","19:46:56",""
"7709182","14.0881","0.0015","14.8425","0.0016","17.753","0.002","88.012","0.005","85.678","0.005","78.942","0.005","3632.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 Cl Ga2 N5 P -","- C78 H105 Cl Ga2 N5 P -","- C156 H210 Cl2 Ga4 N10 P2 -","2","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","1.54178","CuKα","","0.044","0.0392","","","0.1045","0.1082","","","","","","1.073","","","","has coordinates,has disorder","272693","2022-02-04","19:46:56",""
"7709183","11.6525","0.0006","10.4312","0.0006","24.2415","0.0012","90","","98.454","0.003","90","","2914.5","0.3","190","","190","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B Cu F9 N3 -","- C30 H26 B Cu F9 N3 -","- C120 H104 B4 Cu4 F36 N12 -","4","1","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.0764","0.0586","","","0.1268","0.1345","","","","","","1.072","","","","has coordinates,has disorder","272688","2022-02-04","19:45:37",""
"7709184","10.2339","0.0004","12.0369","0.0004","12.9756","0.0004","72.074","0.001","89.298","0.001","73.739","0.001","1455.17","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Ag B F9 N3 -","- C30 H26 Ag B F9 N3 -","- C60 H52 Ag2 B2 F18 N6 -","2","1","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.0462","0.0398","","","0.082","0.0859","","","","","","1.026","","","","has coordinates,has disorder","272688","2022-02-04","19:45:37",""
"7709185","10.44","0.0006","20.0684","0.0012","13.0151","0.0008","90","","101.246","0.002","90","","2674.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B F9 N3 -","- C28 H23 B F9 N3 -","- C112 H92 B4 F36 N12 -","4","1","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.1169","0.0707","","","0.1817","0.248","","","","","","1.167","","","","has coordinates","272688","2022-02-04","19:45:37",""
"7709186","11.6718","0.001","10.5613","0.0009","12.8825","0.001","90","","107.638","0.004","90","","1513.4","0.2","289","","289","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H26 Au B F9 N3 -","- C30 H26 Au B F9 N3 -","- C60 H52 Au2 B2 F18 N6 -","2","0.5","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.0377","0.0292","","","0.0805","0.0854","","","","","","1.066","","","","has coordinates,has disorder","272688","2022-02-04","19:45:37",""
"7709187","11.6594","0.0004","10.3878","0.0004","24.1447","0.0008","90","","97.334","0.002","90","","2900.37","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Au B F9 N3 -","- C30 H26 Au B F9 N3 -","- C120 H104 Au4 B4 F36 N12 -","4","1","","Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Fluorinated tris(pyridyl)borate ligand support on coinage metals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1308","1312","10.1039/d1dt04136c","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0226","","","0.0414","0.0485","","","","","","1.012","","","","has coordinates","272688","2022-02-04","19:45:37",""
"7709188","7.78125","0.0001","10.56152","0.00012","16.2469","0.0002","90","","99.6724","0.0012","90","","1316.22","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 P Sn -","- C11 H19 P Sn -","- C44 H76 P4 Sn4 -","4","1","","Müller, Felix; Wickemeyer, Lucas; Schwabedissen, Jan; Ertl, Martin; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Mitzel, Norbert W.","Synthesis, structural and photophysical properties of dimethylphosphino(perfluoro-)phenylene-based gold(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1955","1967","10.1039/d1dt03658k","","x-ray","0.71073","MoKα","","0.039","0.0252","","","0.0515","0.056","","","","","","1.063","","","","has coordinates,has disorder","272668","2022-02-04","19:37:59",""
"7709189","9.1778","0.0003","11.0554","0.0003","11.4165","0.0003","87.267","0.002","67.328","0.003","68.529","0.003","988.78","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Au2 Cl2 P2 -","- C17 H22 Au2 Cl2 P2 -","- C34 H44 Au4 Cl4 P4 -","2","1","","Müller, Felix; Wickemeyer, Lucas; Schwabedissen, Jan; Ertl, Martin; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Mitzel, Norbert W.","Synthesis, structural and photophysical properties of dimethylphosphino(perfluoro-)phenylene-based gold(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1955","1967","10.1039/d1dt03658k","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0624","0.0629","","","","","","1.171","","","","has coordinates","272668","2022-02-04","19:38:00",""
"7709190","15.16837","0.00019","6.99146","0.0001","8.7622","0.00011","90","","97.2703","0.0012","90","","921.75","0.02","200","0.1","200","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H12 Au2 F8 P2 -","- C16 H12 Au2 F8 P2 -","- C32 H24 Au4 F16 P4 -","2","0.25","","Müller, Felix; Wickemeyer, Lucas; Schwabedissen, Jan; Ertl, Martin; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Mitzel, Norbert W.","Synthesis, structural and photophysical properties of dimethylphosphino(perfluoro-)phenylene-based gold(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1955","1967","10.1039/d1dt03658k","","x-ray","0.71073","MoKα","","0.0179","0.0148","","","0.0336","0.0343","","","","","","1.111","","","","has coordinates","272668","2022-02-04","19:38:00",""
"7709191","12.146","0.0001","7.1602","0.0001","32.5086","0.0003","90","","100.118","0.001","90","","2783.23","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 F4 P Sn -","- C11 H15 F4 P Sn -","- C88 H120 F32 P8 Sn8 -","8","2","","Müller, Felix; Wickemeyer, Lucas; Schwabedissen, Jan; Ertl, Martin; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Mitzel, Norbert W.","Synthesis, structural and photophysical properties of dimethylphosphino(perfluoro-)phenylene-based gold(I) dimers.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1955","1967","10.1039/d1dt03658k","","x-ray","0.71073","MoKα","","0.0615","0.058","","","0.0927","0.0938","","","","","","1.373","","","","has coordinates","272668","2022-02-04","19:38:00",""
"7709192","10.2155","0.0003","10.9297","0.0003","12.9935","0.0003","90","","106.622","0.003","90","","1390.13","0.07","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 O2 Zn -","- C30 H24 Br4 N2 O2 Zn -","- C60 H48 Br8 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","0.71073","MoKα","","0.0138","0.0134","","","0.033","0.0332","","","","","","1.058","","","","has coordinates","271644","2021-12-28","23:47:48",""
"7709193","10.2247","0.0002","10.894","0.0003","12.9214","0.0003","90","","107.216","0.003","90","","1374.8","0.06","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 O2 Zn -","- C30 H24 Br2 Cl2 N2 O2 Zn -","- C60 H48 Br4 Cl4 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","1.54184","CuKα","","0.0224","0.0222","","","0.0587","0.0589","","","","","","1.057","","","","has coordinates","271644","2021-12-28","23:47:49",""
"7709194","10.21573","0.00014","10.8824","0.00013","12.90981","0.00018","90","","107.218","0.0014","90","","1370.89","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 O2 Zn -","- C30 H24 Br2 Cl2 N2 O2 Zn -","- C60 H48 Br4 Cl4 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","0.71073","MoKα","","0.0186","0.0185","","","0.0472","0.0473","","","","","","1.056","","","","has coordinates","271644","2021-12-28","23:47:49",""
"7709195","10.08126","0.00012","10.86962","0.00012","12.7656","0.00016","90","","106.563","0.0013","90","","1340.81","0.03","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 O2 Zn -","- C30 H24 Cl4 N2 O2 Zn -","- C60 H48 Cl8 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","0.71073","MoKα","","0.0192","0.0189","","","0.0511","0.0512","","","","","","1.066","","","","has coordinates","271644","2021-12-28","23:47:49",""
"7709196","10.089","0.0003","10.8821","0.0003","12.7748","0.0003","90","","106.586","0.003","90","","1344.18","0.07","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 O2 Zn -","- C30 H24 Cl4 N2 O2 Zn -","- C60 H48 Cl8 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","0.71073","MoKα","","0.0265","0.0238","","","0.0558","0.0572","","","","","","1.034","","","","has coordinates","271644","2021-12-28","23:47:49",""
"7709197","10.2179","0.0003","10.9275","0.0003","12.9953","0.0004","90","","106.617","0.003","90","","1390.41","0.07","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 O2 Zn -","- C30 H24 Br4 N2 O2 Zn -","- C60 H48 Br8 N4 O4 Zn2 -","2","0.5","","Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed","Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal","Dalton Transactions","2022","","","","","10.1039/D1DT04220C","","x-ray","0.71073","MoKα","","0.0193","0.018","","","0.0416","0.0418","","","","","","0.997","","","","has coordinates","271644","2021-12-28","23:47:49",""
"7709198","20.6518","0.0004","9.8071","0.0002","15.1637","0.0003","90","","90","","90","","3071.17","0.11","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H9 Cu N6 O4 S -","- C12 H9 Cu N6 O4 S -","- C96 H72 Cu8 N48 O32 S8 -","8","1","","Mi, Fu-Qi; Ma, Fa-Xue; Zou, Shui-Xiang; Zhan, Dong-Sun; Zhang, Teng","A proton-conductive metal-organic framework based on imidazole and sulphate ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1313","1317","10.1039/d1dt04129k","","","1.54184","CuKα","","0.0811","0.0757","","","0.2535","0.2619","","","","","","1.101","","","","has coordinates","272686","2022-02-04","19:44:45",""
"7709199","9.946","0.003","16.293","0.005","6.924","0.002","90","","91.321","0.015","90","","1121.7","0.6","250","2","249.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Cu0.25 N2 O3 S0.5 -","- C4 H4 Cu0.25 N2 O3 S0.5 -","- C32 H32 Cu2 N16 O24 S4 -","8","2","","Mi, Fu-Qi; Ma, Fa-Xue; Zou, Shui-Xiang; Zhan, Dong-Sun; Zhang, Teng","A proton-conductive metal-organic framework based on imidazole and sulphate ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1313","1317","10.1039/d1dt04129k","","","0.71073","MoKα","","0.1538","0.0924","","","0.2373","0.277","","","","","","1.127","","","","has coordinates","272686","2022-02-04","19:44:46",""
"7709200","23.9498","0.0005","15.1713","0.0002","14.5364","0.0004","90","","97.584","0.002","90","","5235.6","0.2","129.9","0.6","129.9","0.6","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C53 H31 Cr0.5 Ir4 N8 O11 Sn -","- C53 H31 Cr0.5 Ir4 N8 O11 Sn -","- C212 H124 Cr2 Ir16 N32 O44 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.072","0.0565","","","0.122","0.1376","","","","","","1.107","","","","has coordinates","271648","2021-12-29","23:50:10",""
"7709201","12.9161","0.0001","30.5606","0.0003","10.9495","0.0001","90","","107.391","0.001","90","","4124.46","0.07","110","1","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H16 Co4 N8 O11 Sn -","- C43 H16 Co4 N8 O11 Sn -","- C172 H64 Co16 N32 O44 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","","0.71073","MoKα","","0.0279","0.0223","","","0.0525","0.055","","","","","","1.041","","","","has coordinates","271648","2021-12-29","23:50:11",""
"7709202","16.8961","0.0004","20.0969","0.0004","19.6999","0.0004","90","","96.102","0.002","90","","6651.4","0.2","130","4","130","4","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 Cl3 Cr N8 O10 Os3 Sn -","- C68 H50 Cl3 Cr N8 O10 Os3 Sn -","- C272 H200 Cl12 Cr4 N32 O40 Os12 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.0511","0.0448","","","0.1092","0.113","","","","","","1.031","","","","has coordinates,has disorder","271648","2021-12-29","23:50:12",""
"7709203","17.3563","0.0008","14.6148","0.0007","25.198","0.0012","90","","96.146","0.001","90","","6355","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 N10 Na O17 Ru3 Sn -","- C61 H52 N10 Na O17 Ru3 Sn -","- C244 H208 N40 Na4 O68 Ru12 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.0536","0.0368","","","0.0814","0.0941","","","","","","1.168","","","","has coordinates","271648","2021-12-29","23:50:12",""
"7709204","26.2701","0.0004","22.9467","0.0005","22.6093","0.0003","90","","90","","90","","13629.2","0.4","101","2","101","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C134 H120 Cl8 Cs K N20 O22 Ru3 Sn2 -","- C128 H116 Cl6 Cs K N20 O22 Ru3 Sn2 -","- C512 H464 Cl24 Cs4 K4 N80 O88 Ru12 Sn8 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.117","0.0882","","","0.2218","0.2455","","","","","","1.038","","","","has coordinates","271648","2021-12-29","23:50:12",""
"7709205","16.7801","0.0001","20.0593","0.0001","19.7671","0.0001","90","","94.872","0.001","90","","6629.51","0.06","119.95","0.1","119.95","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr N8 O11 Ru3 Sn -","- C69 H50 Cl2 Cr N8 O11 Ru3 Sn -","- C276 H200 Cl8 Cr4 N32 O44 Ru12 Sn4 -","4","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties","Dalton Transactions","2022","","","","","10.1039/D1DT04061H","","x-ray","0.71073","MoKα","","0.0409","0.0267","","","0.055","0.0603","","","","","","1.046","","","","has coordinates","271648","2021-12-29","23:50:12",""
"7709210","7.7511","0.0005","23.9217","0.0013","8.4244","0.0006","90","","110.099","0.008","90","","1466.92","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N O3 Se -","- C17 H13 N O3 Se -","- C68 H52 N4 O12 Se4 -","4","1","","Deshmukh, Pratiksha P.; Malankar, Gauri S.; Arunima, S.; Navalkar, Ambuja; Maji, Samir Kumar; Murale, Dhiraj P.; Saravanan, R.; Manjare, Sudesh T.","Efficient Chemodosimeter for Hg(II) Via Diselenide Oxidation","Dalton Transactions","2022","","","","","10.1039/D1DT04038C","","","0.71073","MoKα","","0.1093","0.0677","","","0.1495","0.1771","","","","","","1.049","","","","has coordinates","271771","2022-01-03","23:42:27",""
"7709211","8.2727","0.0005","8.2567","0.0004","19.3526","0.0014","90","","97.498","0.006","90","","1310.58","0.14","100","0.14","100","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F2 Fe N4 -","- C14 H8 F2 Fe N4 -","- C56 H32 F8 Fe4 N16 -","4","0.5","","López-Cabrelles, Javier; Mañas-Valero, Samuel; Vitórica-Yrezábal, Iñigo J; Bereciartua, Pablo J.; Coronado, Eugenio; Mínguez Espallargas, Guillermo","A fluorinated 2D magnetic coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1861","1865","10.1039/d1dt03734j","","x-ray","0.71073","MoKα","","0.0594","0.0585","","","0.1524","0.1529","","","","","","1.222","","","","has coordinates,has disorder","272667","2022-02-04","19:37:37",""
"7709212","12.3458","0.001","11.7217","0.0009","17.4163","0.0015","90","","97.81","0.003","90","","2497","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O11 Ru3 -","- C19 H21 N O11 Ru3 -","- C76 H84 N4 O44 Ru12 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion","Dalton Transactions","2022","","","","","10.1039/D1DT03622J","","","0.71073","MoKα","","0.0603","0.0403","","","0.0748","0.0837","","","","","","1.042","","","","has coordinates","271804","2022-01-05","00:04:17",""
"7709213","11.1727","0.0011","11.9062","0.0012","14.3383","0.0014","90.095","0.003","99.075","0.003","100.292","0.003","1852.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 N2 O9 P Ru3 -","- C35 H35 N2 O9 P Ru3 -","- C70 H70 N4 O18 P2 Ru6 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion","Dalton Transactions","2022","","","","","10.1039/D1DT03622J","","","0.71073","MoKα","","0.0622","0.0521","","","0.0964","0.0993","","","","","","1.172","","","","has coordinates,has disorder","271804","2022-01-05","00:04:17",""
"7709214","16.5638","0.0016","10.2807","0.001","19.807","0.0019","90","","105.465","0.003","90","","3250.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O12 Ru3 -","- C26 H40 N2 O12 Ru3 -","- C104 H160 N8 O48 Ru12 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion","Dalton Transactions","2022","","","","","10.1039/D1DT03622J","","","0.71073","MoKα","","0.1481","0.1398","","","0.3229","0.326","","","","","","1.33","","","","has coordinates,has disorder","271804","2022-01-05","00:04:17",""
"7709215","9.5198","0.0006","13.787","0.0008","11.862","0.0007","90","","113.085","0.002","90","","1432.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 N2 O8 Ru2 -","- C24 H40 N2 O8 Ru2 -","- C48 H80 N4 O16 Ru4 -","2","0.5","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion","Dalton Transactions","2022","","","","","10.1039/D1DT03622J","","","0.71073","MoKα","","0.0161","0.0145","","","0.0351","0.0355","","","","","","1.084","","","","has coordinates","271804","2022-01-05","00:04:17",""
"7709216","12.9763","0.0008","19.4012","0.0012","18.037","0.0011","90","","97.884","0.002","90","","4498","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 N3 O12 Ru4 -","- C36 H61 N3 O12 Ru4 -","- C144 H244 N12 O48 Ru16 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Synthesis, molecular structure and fluxional behavior of the elusive [HRu4(CO)12]3– carbonyl anion","Dalton Transactions","2022","","","","","10.1039/D1DT03622J","","","0.71073","MoKα","","0.0993","0.0879","","","0.192","0.1983","","","","","","1.157","","","","has coordinates,has disorder","271804","2022-01-05","00:04:17",""
"7709225","11.2128","0.0004","16.0056","0.0007","18.6715","0.0009","78.035","0.004","75.762","0.004","72.617","0.004","3067","0.2","106.8","0.2","106.8","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H62 Dy2 O14 -","- C74 H62 Dy2 O14 -","- C148 H124 Dy4 O28 -","2","1","","Lalioti, Nikolia; Nastopoulos, Vassilis; Panagiotou, Nikos; Tasiopoulos, Anastasios; Ioannidis, Nikolaos; van Slageren, Joris; Zhang, Peng; Rajaraman, Gopalan; Swain, Abinash; Tangoulis, Vassilis","A nonsymmetric Dy<sub>2</sub> single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1985","1994","10.1039/d1dt04089h","","","1.54184","CuKα","","0.0454","0.0382","","","0.0969","0.1022","","","","","","1.037","","","","has coordinates","272663","2022-02-04","19:36:40",""
"7709226","11.1868","0.0004","16.0404","0.0006","18.662","0.0006","78.186","0.003","75.862","0.003","72.605","0.003","3067.2","0.2","107.7","0.6","107.7","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 Dy0.14 O14 Y1.86 -","- C74 H62 Dy0.138 O14 Y1.862 -","- C148 H124 Dy0.276 O28 Y3.724 -","2","1","","Lalioti, Nikolia; Nastopoulos, Vassilis; Panagiotou, Nikos; Tasiopoulos, Anastasios; Ioannidis, Nikolaos; van Slageren, Joris; Zhang, Peng; Rajaraman, Gopalan; Swain, Abinash; Tangoulis, Vassilis","A nonsymmetric Dy<sub>2</sub> single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1985","1994","10.1039/d1dt04089h","","","1.54184","CuKα","","0.056","0.0444","","","0.1129","0.1225","","","","","","1.019","","","","has coordinates","272663","2022-02-04","19:36:41",""
"7709227","18.2","0.003","18.2","0.003","16.17","0.003","90","","90","","120","","4638.6","1.4","98","2","98","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C33 Fe N6 O12 -","- C33 Fe N6 O12 -","- C132 Fe4 N24 O48 -","4","0.333333","","Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif","Metal-hydrogen-pi-bonded organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1927","1935","10.1039/d1dt04278e","","","0.0251","electrons","","0.3285","0.2092","","","0.4527","0.5176","","","","","","1.324","","","","has coordinates","272676","2022-02-04","19:40:59",""
"7709228","18.2","0.003","18.2","0.003","16.17","0.003","90","","90","","120","","4638.6","1.4","98","2","98","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C11 Fe0.17 Ga0.17 N2 O4 -","- C11 Fe0.166667 Ga0.166667 N2 O4 -","- C132 Fe2 Ga2 N24 O48 -","12","1","","Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif","Metal-hydrogen-pi-bonded organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1927","1935","10.1039/d1dt04278e","","","0.0251","electrons","","0.3547","0.2025","","","0.451","0.5265","","","","","","1.219","","","","has coordinates","272676","2022-02-04","19:41:00",""
"7709229","15.4787","0.0006","22.7556","0.0009","17.7148","0.0007","90","","97.002","0.001","90","","6193.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H67 Cl2 Cu3 Mn N6 O24 -","- C56 H67 Cl2 Cu3 Mn N6 O24 -","- C224 H268 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Pilichos, Evangelos; Bhunia, Pradip; Font-Bardia, Mercè; Ghosh, Ashutosh; Mayans, Júlia; Escuer, Albert","Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear Cu<sup>II</sup>/Mn<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1779","1783","10.1039/d1dt04074j","","","0.71073","MoKα","","0.079","0.0482","","","0.1099","0.1315","","","","","","1.099","","","","has coordinates,has disorder","272680","2022-02-04","19:42:25",""
"7709230","16.8389","0.0018","16.637","0.0018","16.4775","0.0018","90","","99.467","0.002","90","","4553.3","0.9","296","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cu2 Mn N10 O6 -","- C40 H44 Cu2 Mn N10 O6 -","- C160 H176 Cu8 Mn4 N40 O24 -","4","0.5","","Pilichos, Evangelos; Bhunia, Pradip; Font-Bardia, Mercè; Ghosh, Ashutosh; Mayans, Júlia; Escuer, Albert","Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear Cu<sup>II</sup>/Mn<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1779","1783","10.1039/d1dt04074j","","","0.71073","MoKα","","0.1212","0.0787","","","0.2294","0.2775","","","","","","1.1","","","","has coordinates","272680","2022-02-04","19:42:26",""
"7709231","12.35","0.0006","13.0272","0.0007","13.9308","0.0007","107.897","0.002","91.793","0.002","94.147","0.002","2123.85","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","1","0.5","","Pilichos, Evangelos; Bhunia, Pradip; Font-Bardia, Mercè; Ghosh, Ashutosh; Mayans, Júlia; Escuer, Albert","Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear Cu<sup>II</sup>/Mn<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1779","1783","10.1039/d1dt04074j","","","0.71073","MoKα","","0.0375","0.0334","","","0.0889","0.0927","","","","","","1.034","","","","has coordinates,has disorder","272680","2022-02-04","19:42:26",""
"7709232","9.4345","0.0004","27.7952","0.0012","13.3794","0.0006","90","","106.686","0.001","90","","3360.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H106 Au2 F12 N2 P6 -","- C56 H106 Au2 F12 N2 P6 -","- C112 H212 Au4 F24 N4 P12 -","2","0.5","","Abogosh , Ahmed K.; Alghanem, Meshal; Ahmad, Saeed; Alasmari, Abdullah; As Sobeai , Homood M.; Sulaiman, Adam A. A.; Fettouhi, Mohammed; Popoola , Saheed A.; Alhoshani, Ali; Isab, Anvarhusein","A Novel Cyclic Dinuclear Gold(I) Complex Induces Anticancer Activity via Oxidative Stress-Mediated Intrinsic Apoptotic Pathway in MDA-MB-231 Cancer Cells","Dalton Transactions","2022","","","","","10.1039/D1DT03546K","","","0.71073","MoKα","","0.0449","0.0358","","","0.0707","0.0742","","","","","","1.008","","","","has coordinates","271821","2022-01-05","23:53:26",""
"7709233","14.5511","0.0004","14.5511","0.0004","39","0.002","90","","90","","120","","7151.3","0.5","295.15","","295.15","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 B3 F12 Fe N6 O6 -","- C36 H42 B3 F12 Fe N6 O6 -","- C216 H252 B18 F72 Fe6 N36 O36 -","6","0.166667","","Garg, Nitish Kumar; Goriya, Yogesh; Seetharaman, Manojveer; Muratović, Senada; Pajić, Damir; Cetina, Mario; Petreska, Irina; Krupskaya, Yulia; Kataev, Vladislav; Johnson, Magnus T.; Wendt, Ola F.; Žilić, Dijana","Mononuclear Iron(III) Complex with Unusual Temperature Change of Color and Magneto-Structural Properties: Synthesis, Structure, Magnetization, Multi-frequency ESR and DFT Study","Dalton Transactions","2022","","","","","10.1039/D1DT03751J","","x-ray","0.71073","MoKα","","0.058","0.0494","","","0.1503","0.1607","","","","","","1.073","","","","has coordinates,has disorder","271822","2022-01-05","23:53:55",""
"7709234","14.3913","0.0007","14.3913","0.0007","38.125","0.004","90","","90","","120","","6838.2","0.9","125","","125","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H42 B3 F12 Fe N6 O6 -","- C36 H42 B3 F12 Fe N6 O6 -","- C216 H252 B18 F72 Fe6 N36 O36 -","6","0.166667","","Garg, Nitish Kumar; Goriya, Yogesh; Seetharaman, Manojveer; Muratović, Senada; Pajić, Damir; Cetina, Mario; Petreska, Irina; Krupskaya, Yulia; Kataev, Vladislav; Johnson, Magnus T.; Wendt, Ola F.; Žilić, Dijana","Mononuclear Iron(III) Complex with Unusual Temperature Change of Color and Magneto-Structural Properties: Synthesis, Structure, Magnetization, Multi-frequency ESR and DFT Study","Dalton Transactions","2022","","","","","10.1039/D1DT03751J","","x-ray","0.71073","MoKα","","0.136","0.0826","","","0.2167","0.2693","","","","","","1.04","","","","has coordinates","271822","2022-01-05","23:53:55",""
"7709235","10.4295","0.0008","19.2819","0.0015","24.0313","0.0018","90","","102.277","0.003","90","","4722.2","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 La N3 Ni3 O33 -","- C38 H46 La N3 Ni3 O33 -","- C152 H184 La4 N12 Ni12 O132 -","4","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Self-assembly of non-macrocyclic triangular Ni<sub>3</sub>Ln clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1446","1453","10.1039/d1dt03742k","","","1.54178","CuKα","","0.0607","0.058","","","0.1659","0.1719","","","","","","1.081","","","","has coordinates","272692","2022-02-04","19:46:31",""
"7709236","11.0862","0.0006","15.529","0.0009","16.8872","0.0009","115.311","0.004","101.491","0.004","97.235","0.004","2501.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H49.5 Ba N2 Ni3 O28 -","- C39.5 H41.5 Ba N2 Ni3 O26 -","- C79 H83 Ba2 N4 Ni6 O52 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Self-assembly of non-macrocyclic triangular Ni<sub>3</sub>Ln clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1446","1453","10.1039/d1dt03742k","","x-ray","1.54178","CuKα","","0.0926","0.0711","","","0.1515","0.1625","","","","","","1.052","","","","has coordinates,has disorder","272692","2022-02-04","19:46:31",""
"7709237","12.7986","0.0012","16.5467","0.0016","39.972","0.004","90","","90.203","0.003","90","","8465","1.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H36 Eu N3 Ni3 O28.5 -","- C37.5 H36 Eu N3 Ni3 O28.5 -","- C300 H288 Eu8 N24 Ni24 O228 -","8","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Self-assembly of non-macrocyclic triangular Ni<sub>3</sub>Ln clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1446","1453","10.1039/d1dt03742k","","x-ray","1.54178","CuKα","","0.025","0.0249","","","0.0675","0.0676","","","","","","1.048","","","","has coordinates","272692","2022-02-04","19:46:31",""
"7709238","17.0721","0.001","18.7861","0.0011","17.1302","0.001","90","","106.716","0.003","90","","5261.8","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 Gd N3 Ni3 O30 -","- C45 H54 Gd N3 Ni3 O30 -","- C180 H216 Gd4 N12 Ni12 O120 -","4","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Self-assembly of non-macrocyclic triangular Ni<sub>3</sub>Ln clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1446","1453","10.1039/d1dt03742k","","","1.54178","CuKα","","0.0242","0.0232","","","0.0607","0.0614","","","","","","1.026","","","","has coordinates,has disorder","272692","2022-02-04","19:46:31",""
"7709239","6.8147","0.0002","26.3293","0.0008","11.0322","0.0003","90","","101.043","0.003","90","","1942.81","0.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetracyanorutenium(II)","","","- C14 H18 Ca N6 O5 Ru -","- C14 H18 Ca N6 O5 Ru -","- C56 H72 Ca4 N24 O20 Ru4 -","4","1","","Hattori, Shingo; Nagai, Tomoya; Sekine, Akiko; Otsuka, Takuhiro; Shinozaki, Kazuteru","Reversible colour/luminescence colour changes of tetracyanoruthenium(II) complexes by sorption/desorption of water molecules in crystals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1474","1480","10.1039/d1dt03666a","","","0.71073","MoKα","","0.0361","0.0277","","","0.0587","0.0617","","","","","","1.037","","","","has coordinates","272690","2022-02-04","19:45:58",""
"7709240","6.5582","0.0003","11.2775","0.0005","13.6233","0.0006","87.538","0.003","77.166","0.004","89.309","0.004","981.5","0.08","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Tetracyanorutenium(II)","","","- C14 H20 N6 O6 Ru Sr -","- C14 H20 N6 O6 Ru Sr -","- C28 H40 N12 O12 Ru2 Sr2 -","2","1","","Hattori, Shingo; Nagai, Tomoya; Sekine, Akiko; Otsuka, Takuhiro; Shinozaki, Kazuteru","Reversible colour/luminescence colour changes of tetracyanoruthenium(II) complexes by sorption/desorption of water molecules in crystals.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1474","1480","10.1039/d1dt03666a","","","0.71073","MoKα","","0.0365","0.0285","","","0.06","0.0624","","","","","","1.033","","","","has coordinates","272690","2022-02-04","19:45:58",""
"7709241","10.385","0.004","12.958","0.005","16.648","0.007","90","","107.358","0.016","90","","2138.3","1.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H64 Cl4 N20 O28.17 Zn4 -","- C80 H64 Cl4 N20 O28.144 Zn4 -","- C80 H64 Cl4 N20 O28.144 Zn4 -","1","0.25","","Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar","De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications","Dalton Transactions","2022","","","","","10.1039/D1DT02722K","","","0.71075","MoKα","","0.079","0.0645","","","0.1699","0.1848","","","","","","1.07","","","","has coordinates,has disorder","271927","2022-01-06","23:57:28",""
"7709242","10.6305","0.0004","11.1191","0.0004","12.8841","0.0006","77.466","0.007","87.974","0.009","80.305","0.009","1465.39","0.12","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Ce0.5 N8 O12 Zn -","- C24 H16 Ce0.5 N8 O12 Zn -","- C48 H32 Ce N16 O24 Zn2 -","2","1","","Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar","De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications","Dalton Transactions","2022","","","","","10.1039/D1DT02722K","","","0.71075","MoKα","","0.0486","0.0449","","","0.1258","0.1315","","","","","","1.052","","","","has coordinates","271927","2022-01-06","23:57:29",""
"7709243","10.5189","0.0007","10.9751","0.0004","12.8796","0.0007","77.538","0.008","88.428","0.008","80.416","0.008","1431.55","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 Ce Cu2 N17 O27 -","- C48 H33 Ce Cu2 N17 O27 -","- C48 H33 Ce Cu2 N17 O27 -","1","0.5","","Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar","De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications","Dalton Transactions","2022","","","","","10.1039/D1DT02722K","","","0.71075","MoKα","","0.0551","0.0525","","","0.1338","0.1367","","","","","","1.025","","","","has coordinates,has disorder","271927","2022-01-06","23:57:29",""
"7709244","18.183","0.004","16.108","0.003","20.453","0.004","90","","91.45","0.009","90","","5989","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Ce Cu N10 O18 -","- C20 H16 Ce Cu N10 O18 -","- C160 H128 Ce8 Cu8 N80 O144 -","8","2","","Mahato, Shreya; Mondal, Amit; Das, Mainak; Joshi, Mayank; Ray, Partha Pratim; Roy Choudhury, Angshuman; Reddy, C. Malla; Biswas, Bhaskar","De novo synthesis of hybrid d–f block metal complex salts for electronic charge transport applications","Dalton Transactions","2022","","","","","10.1039/D1DT02722K","","","0.71075","MoKα","","0.1019","0.0749","","","0.17","0.1906","","","","","","1.082","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7709245","7.6683","0.0006","10.3179","0.0013","33.709","0.002","90","","95.667","0.007","90","","2654","0.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H18 Cd O5 -","- C28 H18 Cd O5 -","- C112 H72 Cd4 O20 -","4","0.5","","Zhang, Ji-Rui; Zhang, Hao-Yi; Guo, Jia-Hui; Liu, Zi-Han; Ma, Cheng-Yu; Yang, Xiao-Gang; Lu, Xiao-Yan; Qin, Jian-Hua; Ma, Lu-Fang","An anthracene based metal-organic framework showing efficient angle-dependent polarized emission, luminescence thermometry, and photoelectronic response.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1769","1774","10.1039/d1dt04077d","","x-ray","0.71073","MoKα","","0.1538","0.1011","","","0.2764","0.324","","","","","","1.0525","","","","has coordinates","272673","2022-02-04","19:40:31",""
"7709246","19.3556","0.0004","22.3068","0.0004","23.0775","0.0004","90","","90","","90","","9964","0.3","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C54 H45 F6 N4 O3 P3 Ru S -","- C54 H45 F6 N4 O3 P3 Ru S -","- C432 H360 F48 N32 O24 P24 Ru8 S8 -","8","1","","Grawe, Gregory F.; Oliveira, Katia M.; Leite, Celisnolia M.; de Oliveira, Tamires D.; Honorato, João; Ferreira, Antonio G.; Castellano, Eduardo E.; Cominetti, Marcia R.; Correa, Rodrigo S.; Batista, Alzir A.","Ruthenium(II)-diphosphine complexes containing acylthiourea ligands are effective against lung and breast cancers.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1489","1501","10.1039/d1dt02851k","","x-ray","0.71073","MoKα","","0.0796","0.05","","","0.0961","0.1252","","","","","","1.288","","","","has coordinates,has disorder","272695","2022-02-04","19:48:32",""
"7709247","8.394","0.007","9.376","0.008","25.31","0.02","90","","90","","90","","1992","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mo O9 P2 -","- Cs2 Mo O9 P2 -","- Cs16 Mo8 O72 P16 -","8","1","","Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna","A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1481","1488","10.1039/d1dt03756k","","","0.71073","MoKα","","0.056","0.0363","","","0.0694","0.0759","","","","","","1.022","","","","has coordinates","272685","2022-02-04","19:44:27",""
"7709248","10.6912","0.0005","7.7144","0.0003","14.5582","0.0006","90","","90.06","0.02","90","","1200.7","0.09","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs6 Mo2 O19 P4 -","- Cs6 Mo2 O19 P4 -","- Cs12 Mo4 O38 P8 -","2","0.5","","Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna","A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1481","1488","10.1039/d1dt03756k","","","0.71073","MoKα","","0.0304","0.0231","","","0.0447","0.0465","","","","","","1.128","","","","has coordinates","272685","2022-02-04","19:44:37",""
"7709249","10.4134","0.0006","7.391","0.0005","13.9812","0.0009","90","","90.775","0.003","90","","1075.97","0.12","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Mo2 O19 P4 Rb6 -","- Mo2 O19 P4 Rb6 -","- Mo4 O38 P8 Rb12 -","2","0.5","","Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna","A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1481","1488","10.1039/d1dt03756k","","","0.71073","MoKα","","0.0592","0.0396","","","0.0829","0.0914","","","","","","1.047","","","","has coordinates","272685","2022-02-04","19:44:37",""
"7709250","19.181","0.0005","8.1739","0.0002","17.0553","0.0005","90","","98.348","0.001","90","","2645.66","0.12","302","","302","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo O9 P2 Rb2 -","- Mo O9 P2 Rb2 -","- Mo12 O108 P24 Rb24 -","12","1.5","","Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna","A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1481","1488","10.1039/d1dt03756k","","","0.71073","MoKα","","0.0238","0.0204","","","0.0468","0.0482","","","","","","1.043","","","","has coordinates","272685","2022-02-04","19:44:37",""
"7709251","17.9942","0.0003","7.55123","0.00011","20.98","0.0003","90","","95.3962","0.0014","90","","2838.09","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H28 Cl3 N6 O2.5 Ru -","- C27.5 H28 Cl3 N6 O2.5 Ru -","- C110 H112 Cl12 N24 O10 Ru4 -","4","1","","Gu, Yun-Qiong; Shen, Wen-Ying; Yang, Qi-Yuan; Chen, Zhen-Feng; Liang, Hong","Ru(III) complexes with pyrazolopyrimidines as anticancer agents: bioactivities and the underlying mechanisms.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1333","1343","10.1039/d1dt02765d","","","1.54184","CuKα","","0.0625","0.0575","","","0.1509","0.1549","","","","","","1.033","","","","has coordinates,has disorder","272687","2022-02-04","19:45:20",""
"7709252","15.1044","0.0006","11.9266","0.0004","24.2173","0.0011","90","","105.309","0.005","90","","4207.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl3 N6 O Ru -","- C17 H20 Cl3 N6 O Ru -","- C136 H160 Cl24 N48 O8 Ru8 -","8","1","","Gu, Yun-Qiong; Shen, Wen-Ying; Yang, Qi-Yuan; Chen, Zhen-Feng; Liang, Hong","Ru(III) complexes with pyrazolopyrimidines as anticancer agents: bioactivities and the underlying mechanisms.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1333","1343","10.1039/d1dt02765d","","","0.71073","MoKα","","0.0706","0.0525","","","0.1233","0.1362","","","","","","1.075","","","","has coordinates","272687","2022-02-04","19:45:20",""
"7709253","13.334","0.0003","14.3744","0.0003","15.7555","0.0004","78.483","0.002","83.943","0.002","81.607","0.002","2918.24","0.12","292","5","292","5","","","","","","","","6","P -1","-P 1","2","","","","- C50 H73 Cl6 N12 O2.5 Ru2 -","- C50 H73 Cl6 N12 O2.5 Ru2 -","- C100 H146 Cl12 N24 O5 Ru4 -","2","1","","Gu, Yun-Qiong; Shen, Wen-Ying; Yang, Qi-Yuan; Chen, Zhen-Feng; Liang, Hong","Ru(III) complexes with pyrazolopyrimidines as anticancer agents: bioactivities and the underlying mechanisms.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1333","1343","10.1039/d1dt02765d","","x-ray","1.54184","CuKα","","0.0632","0.0521","","","0.1396","0.1478","","","","","","1.018","","","","has coordinates,has disorder","272687","2022-02-04","19:45:20",""
"7709254","10.2074","0.0002","16.3078","0.0004","12.9494","0.0003","90","","99.749","0.001","90","","2124.43","0.08","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Au I N3 O -","- C20 H23 Au I N3 O -","- C80 H92 Au4 I4 N12 O4 -","4","1","","Goetzfried, Sina Katharina; Kapitza, Paul; Gallati, Caroline Marie; Nindl, Anna; Cziferszky, Monika; Hermann, Martin; Wurst, Klaus; Kircher, Brigitte; Gust, Ronald","Investigations of the reactivity, stability and biological activity of halido (NHC)gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1395","1406","10.1039/d1dt03528b","","","0.71073","MoKα","","0.0356","0.0312","","","0.0713","0.0731","","","","","","1.057","","","","has coordinates","272699","2022-02-04","19:50:08",""
"7709255","11.798","0.002","23.649","0.004","15.577","0.003","90","","94.344","0.005","90","","4333.7","1.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Au B F4 Fe2 N4 -","- C46 H48 Au B F4 Fe2 N4 -","- C184 H192 Au4 B4 F16 Fe8 N16 -","4","1","","Reinhard, Garrett L.; Jayaraman, Selvakumar; Prybil, Joshua W.; Arambula, Jonathan F.; Arumugam, Kuppuswamy","Detailed structural and spectroscopic elucidation of ferrocenium coupled N-heterocyclic carbene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1533","1541","10.1039/d1dt03174k","","","0.71073","MoKα","","0.0571","0.0374","","","0.0879","0.0995","","","","","","1.0561","","","","has coordinates","272689","2022-02-04","19:45:49",""
"7709256","18.112","0.005","12.733","0.004","19.212","0.005","90","","104.134","0.007","90","","4297","2","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Au B F4 Fe4 N4 -","- C50 H48 Au B F4 Fe4 N4 -","- C200 H192 Au4 B4 F16 Fe16 N16 -","4","0.5","","Reinhard, Garrett L.; Jayaraman, Selvakumar; Prybil, Joshua W.; Arambula, Jonathan F.; Arumugam, Kuppuswamy","Detailed structural and spectroscopic elucidation of ferrocenium coupled N-heterocyclic carbene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1533","1541","10.1039/d1dt03174k","","","0.71073","MoKα","","0.027","0.0214","","","0.0578","0.06","","","","","","1.0493","","","","has coordinates","272689","2022-02-04","19:45:49",""
"7709257","14.447","0.002","24.404","0.004","14.886","0.002","90","","99.088","0.004","90","","5182.4","1.3","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au B3 Cl2 F12 Fe2 N4 -","- C48 H52 Au B3 Cl2 F12 Fe2 N4 -","- C192 H208 Au4 B12 Cl8 F48 Fe8 N16 -","4","1","","Reinhard, Garrett L.; Jayaraman, Selvakumar; Prybil, Joshua W.; Arambula, Jonathan F.; Arumugam, Kuppuswamy","Detailed structural and spectroscopic elucidation of ferrocenium coupled N-heterocyclic carbene gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1533","1541","10.1039/d1dt03174k","","","0.71073","MoKα","","0.055","0.0394","","","0.0856","0.0955","","","","","","1.0437","","","","has coordinates","272689","2022-02-04","19:45:49",""
"7709258","14.0861","0.0004","12.5731","0.0003","26.9707","0.0006","90","","101.918","0.003","90","","4673.7","0.2","183","1","183","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H90 Cl6 N8 O8 P2 Re2 -","- C83 H90 Cl6 N8 O8 P2 Re2 -","- C166 H180 Cl12 N16 O16 P4 Re4 -","2","0.5","","Grieco, G.; Blacque, O.","The reaction of rhenium nitrosyl with a sterically hindered NHC-carbene.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1521","1526","10.1039/d1dt03966k","","x-ray","0.71073","MoKα","","0.0807","0.0633","","","0.1541","0.1673","","","","","","1.122","","","","has coordinates,has disorder","272696","2022-02-04","19:48:42",""
"7709259","11.0987","0.0002","9.0183","0.0001","30.432","0.0005","90","","97.87","0.001","90","","3017.29","0.08","183","1","183","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H54 Cl6 N4 O6 P2 Re2 -","- C57 H54 Cl6 N4 O6 P2 Re2 -","- C114 H108 Cl12 N8 O12 P4 Re4 -","2","0.5","","Grieco, G.; Blacque, O.","The reaction of rhenium nitrosyl with a sterically hindered NHC-carbene.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1521","1526","10.1039/d1dt03966k","","x-ray","0.71073","MoKα","","0.0469","0.0311","","","0.0565","0.0616","","","","","","1.029","","","","has coordinates,has disorder","272696","2022-02-04","19:48:42",""
"7709260","12.7325","0.0008","13.4053","0.0009","16.4281","0.001","85.829","0.002","69.6571","0.0017","89.197","0.0019","2622","0.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H42 B F20 N S Si -","- C57 H42 B F20 N S Si -","- C114 H84 B2 F40 N2 S2 Si2 -","2","1","","Dajnak, Aymeric; Özpınar, Gül Altınbaş; Lenk, Romaric; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Kato, Tsuyoshi; Müller, Thomas; Maerten, Eddy","Norbornene based-sulfide-stabilized silylium ions: synthesis, structure and application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1407","1414","10.1039/d1dt04009j","","","0.71073","MoKα","","0.0939","0.0507","","","0.1057","0.1242","","","","","","1.025","","","","has coordinates,has disorder","272683","2022-02-04","19:43:22",""
"7709261","11.758","0.002","11.781","0.003","13.237","0.003","78.686","0.007","74.91","0.007","66.246","0.007","1611.7","0.6","100.07","","100.07","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Cl2 Fe N6 O8 -","- C33 H28 Cl2 Fe N6 O8 -","- C66 H56 Cl4 Fe2 N12 O16 -","2","1","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","0.71073","MoKα","","0.1048","0.0927","","","0.2466","0.2581","","","","","","1.052","","","","has coordinates","271948","2022-01-07","23:47:23",""
"7709262","12.4606","0.0013","17.2148","0.0019","13.1304","0.0013","90","","99.235","0.004","90","","2780.1","0.5","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H100 Cl8 Fe4 N20 O40 -","- C108 H100 Cl8 Fe4 N20 O40 -","- C108 H100 Cl8 Fe4 N20 O40 -","1","0.25","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","0.71073","MoKα","","0.1354","0.0928","","","0.215","0.2321","","","","","","1.291","","","","has coordinates,has disorder","271948","2022-01-07","23:47:24",""
"7709263","10.045","0.002","15.049","0.004","15.944","0.004","74.903","0.007","85.255","0.007","74.213","0.007","2239.1","0.9","100.05","","100.05","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H90 Cl4 Fe2 N10 O8 -","- C104 H90 Cl4 Fe2 N10 O8 -","- C104 H90 Cl4 Fe2 N10 O8 -","1","0.5","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","0.71073","MoKα","","0.1713","0.0915","","","0.2166","0.2819","","","","","","1.074","","","","has coordinates","271948","2022-01-07","23:47:24",""
"7709264","13.0414","0.001","13.187","0.0009","21.1873","0.0019","90","","94.15","0.008","90","","3634.2","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 F6 Fe N5 O9 S2 -","- C33 H31 F6 Fe N5 O9 S2 -","- C132 H124 F24 Fe4 N20 O36 S8 -","4","1","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","1.54184","CuKα","","0.1067","0.0685","","","0.1652","0.1945","","","","","","1.02","","","","has coordinates","271948","2022-01-07","23:47:24",""
"7709265","10.6887","0.0002","15.5556","0.0003","21.2702","0.0005","90","","96.547","0.002","90","","3513.51","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 B2 F8 Fe N6 -","- C29 H26 B2 F8 Fe N6 -","- C116 H104 B8 F32 Fe4 N24 -","4","1","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","0.71073","MoKα","","0.0749","0.0581","","","0.1533","0.1663","","","","","","1.024","","","","has coordinates","271948","2022-01-07","23:47:24",""
"7709266","27.777","0.002","10.3493","0.0005","28.717","0.003","90","","117.92","0.012","90","","7294.4","1.3","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C62 H54 Cl4 Fe2 N10 O19 -","- C62 H54 Cl4 Fe2 N10 O19 -","- C248 H216 Cl16 Fe8 N40 O76 -","4","1","","Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe","Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands","Dalton Transactions","2022","","","","","10.1039/D1DT03381F","","","0.71073","MoKα","","0.2001","0.0919","","","0.2302","0.3029","","","","","","0.993","","","","has coordinates,has disorder","271948","2022-01-07","23:47:24",""
"7709267","13.3983","0.0004","10.3191","0.0003","16.2707","0.0005","90","","104.988","0.001","90","","2173.03","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Cd3 N7 O16 -","- C36 H46 Cd3 N7 O16 -","- C72 H92 Cd6 N14 O32 -","2","0.5","","Mondal, Udayan; Bej, Sourav; Hazra, Abhijit; Mandal, Sukdeb; Pal, Tapan K.; Banerjee, Priyabrata","Amine-substituent induced highly selective and rapid ""turn-on"" detection of carcinogenic 1,4-dioxane from purely aqueous and vapour phase with novel post-synthetically modified d<sup>10</sup>-MOFs.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2083","2093","10.1039/d1dt03976h","","","0.71073","MoKα","","0.043","0.0346","","","0.0828","0.0926","","","","","","1.126","","","","has coordinates,has disorder","272666","2022-02-04","19:37:26",""
"7709268","9.187","0.0002","20.1121","0.0004","19.8588","0.0005","90","","101.834","0.002","90","","3591.32","0.14","150","0.3","150","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H43 Cu N2 Sn -","- C40 H43 Cu N2 Sn -","- C160 H172 Cu4 N8 Sn4 -","4","1","","Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.","The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes","Dalton Transactions","2022","","","","","10.1039/D1DT03109K","","x-ray","0.71073","MoKα","","0.0573","0.0416","","","0.084","0.0895","","","","","","1.147","","","","has coordinates","271950","2022-01-07","23:48:55",""
"7709269","11.9889","0.0003","17.2083","0.0004","20.1914","0.0004","90","","90","","90","","4165.66","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu N2 Sn -","- C46 H55 Cu N2 Sn -","- C184 H220 Cu4 N8 Sn4 -","4","1","","Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.","The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes","Dalton Transactions","2022","","","","","10.1039/D1DT03109K","","x-ray","0.71073","MoKα","","0.0368","0.0293","","","0.0646","0.0679","","","","","","1.061","","","","has coordinates","271950","2022-01-07","23:48:55",""
"7709270","12.30344","0.00005","16.9976","0.00006","20.11837","0.00007","90","","90","","90","","4207.33","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H57 Cu N2 Sn -","- C47 H57 Cu N2 Sn -","- C188 H228 Cu4 N8 Sn4 -","4","1","","Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.","The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes","Dalton Transactions","2022","","","","","10.1039/D1DT03109K","","x-ray","1.54184","CuKα","","0.0178","0.0177","","","0.0461","0.0461","","","","","","1.086","","","","has coordinates","271950","2022-01-07","23:48:55",""
"7709271","5.9693","0.0004","10.4799","0.0006","20.652","0.0011","90","","90.804","0.006","90","","1291.81","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 K N2 P -","- C10 H18 K N2 P -","- C40 H72 K4 N8 P4 -","4","1","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.0846","0.0523","","","0.1412","0.1549","","","","","","1.095","","","","has coordinates","272694","2022-02-04","19:48:12",""
"7709272","12.4944","0.0005","12.9078","0.0006","13.8901","0.0006","112.737","0.004","108.856","0.004","101.438","0.004","1816.16","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 K2 N4 O2 P2 -","- C36 H36 K2 N4 O2 P2 -","- C72 H72 K4 N8 O4 P4 -","2","1","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.0957","0.0565","","","0.1428","0.1642","","","","","","1.039","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709273","10.3502","0.0006","12.2677","0.0007","12.9852","0.001","112.772","0.006","107.548","0.006","98.919","0.005","1378.53","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 K2 N4 O P2 -","- C20 H36 K2 N4 O P2 -","- C40 H72 K4 N8 O2 P4 -","2","1","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.0905","0.0524","","","0.1304","0.1535","","","","","","1.027","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709274","6.1441","0.0004","12.5092","0.0008","16.686","0.0009","90","","99.25","0.006","90","","1265.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 Na P -","- C10 H18 N2 Na P -","- C40 H72 N8 Na4 P4 -","4","1","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.0897","0.052","","","0.1106","0.1309","","","","","","1.022","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709275","14.3048","0.0004","14.3048","0.0004","9.9886","0.0006","90","","90","","90","","2043.94","0.15","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C32 H60 Li2 N4 O4 P2 -","- C32 H60 Li2 N4 O4 P2 -","- C64 H120 Li4 N8 O8 P4 -","2","0.25","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.073","0.0577","","","0.1553","0.1666","","","","","","1.05","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709276","17.1551","0.0009","13.4665","0.0007","13.0108","0.0006","90","","90","","90","","3005.7","0.3","150","0.1","150","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H42 K N2 O6 P Se2 -","- C22 H42 K N2 O6 P Se2 -","- C88 H168 K4 N8 O24 P4 Se8 -","4","0.5","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","1.54184","CuKα","","0.1124","0.1088","","","0.2542","0.2558","","","","","","1.118","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709277","17.2868","0.0005","13.3235","0.0003","13.0097","0.0003","90","","90","","90","","2996.4","0.13","230.01","0.1","230.01","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H42 K N2 O6 P S2 -","- C22 H42 K N2 O6 P S2 -","- C88 H168 K4 N8 O24 P4 S8 -","4","0.5","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","1.54184","CuKα","","0.0545","0.0463","","","0.1191","0.1274","","","","","","1.054","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709278","27.335","0.001","27.335","0.001","12.7837","0.0009","90","","90","","90","","9552","0.8","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C200 H208 N16 Na8 O8 P8 -","- C200 H208 N16 Na8 O8 P8 -","- C400 H416 N32 Na16 O16 P16 -","2","0.125","","Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun","Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1634","1645","10.1039/d1dt03601g","","x-ray","0.71073","MoKα","","0.0976","0.0785","","","0.2344","0.2576","","","","","","1.037","","","","has coordinates","272694","2022-02-04","19:48:13",""
"7709279","29.8216","0.0012","5.7535","0.0003","8.0262","0.0004","90","","92.646","0.004","90","","1375.66","0.11","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N6 -","- C16 H14 N6 -","- C64 H56 N24 -","4","0.5","","Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita","Inner-sphere electron transfer at the ruthenium-azo interface","Dalton Transactions","2022","","","","","10.1039/D1DT03934B","","x-ray","0.71073","MoKα","","0.0549","0.0453","","","0.1154","0.1232","","","","","","1.068","","","","has coordinates","271994","2022-01-11","23:48:13",""
"7709280","10.0985","0.0003","12.252","0.0003","12.9961","0.0003","104.342","0.002","98.741","0.002","94.354","0.002","1528.89","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","C32H35N6O4Ru","","- C32 H34 N6 O4 Ru -","- C32 H34 N6 O4 Ru -","- C64 H68 N12 O8 Ru2 -","2","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita","Inner-sphere electron transfer at the ruthenium-azo interface","Dalton Transactions","2022","","","","","10.1039/D1DT03934B","","x-ray","1.54184","CuKα","","0.0544","0.0514","","","0.1302","0.1339","","","","","","1.079","","","","has coordinates","271994","2022-01-11","23:48:14",""
"7709281","27.467","0.0004","18.9358","0.0003","15.8522","0.0003","90","","91.1157","0.0015","90","","8243.3","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cl N6 O12 Ru2 -","- C36 H42 Cl N6 O12 Ru2 -","- C288 H336 Cl8 N48 O96 Ru16 -","8","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita","Inner-sphere electron transfer at the ruthenium-azo interface","Dalton Transactions","2022","","","","","10.1039/D1DT03934B","","x-ray","1.54184","CuKα","","0.0788","0.0649","","","0.1706","0.1867","","","","","","1.044","","","","has coordinates","271994","2022-01-11","23:48:14",""
"7709282","11.6157","0.0002","11.8944","0.0003","15.6228","0.0003","68.586","0.002","89.761","0.002","76.019","0.002","1941.48","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N6 O8 Ru2 -","- C36 H42 N6 O8 Ru2 -","- C72 H84 N12 O16 Ru4 -","2","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita","Inner-sphere electron transfer at the ruthenium-azo interface","Dalton Transactions","2022","","","","","10.1039/D1DT03934B","","x-ray","0.71073","MoKα","","0.0629","0.0444","","","0.1066","0.1167","","","","","","1.049","","","","has coordinates","271994","2022-01-11","23:48:14",""
"7709283","12.0872","0.0006","12.9737","0.0004","18.0164","0.0007","107.07","0.003","101.629","0.004","90.142","0.003","2639.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 B2 Cu2 F8 N18 -","- C48 H42 B2 Cu2 F8 N18 -","- C96 H84 B4 Cu4 F16 N36 -","2","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita","Inner-sphere electron transfer at the ruthenium-azo interface","Dalton Transactions","2022","","","","","10.1039/D1DT03934B","","x-ray","0.71073","MoKα","","0.1064","0.0622","","","0.1485","0.1723","","","","","","1.04","","","","has coordinates,has disorder","271994","2022-01-11","23:48:14",""
"7709284","9.0308","0.0004","9.5157","0.0004","14.3909","0.0007","82.575","0.002","78.701","0.002","63.403","0.001","1083.16","0.09","150","","150","","","","","","","","","8","P -1","-P 1","2","","3","","- C20 H20 B Cl F4 N4 O2 Ru -","- C20 H20 B Cl F4 N4 O2 Ru -","- C40 H40 B2 Cl2 F8 N8 O4 Ru2 -","2","1","","Tran, Hoang-Van; Haghdoost, Mohammad Mehdi; Poulet, Sylvain; Tcherkawsky, Paul; Castonguay, Annie","Exploiting exo and endo furan-maleimide Diels–Alder linkages for the functionalization of organoruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02766B","","x-ray","1.34139","GaKα","","0.0247","0.0246","","","0.0643","0.0643","","","","","","1.1","","","","has coordinates,has disorder","271995","2022-01-11","23:49:08",""
"7709285","14.619","0.005","14.258","0.004","21.155","0.007","90","","106.214","0.012","90","","4234","2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","4a_exo","","- C36 H46 B Cl F4 N5 O6 Ru -","- C36 H46 B Cl F4 N5 O6 Ru -","- C144 H184 B4 Cl4 F16 N20 O24 Ru4 -","4","1","","Tran, Hoang-Van; Haghdoost, Mohammad Mehdi; Poulet, Sylvain; Tcherkawsky, Paul; Castonguay, Annie","Exploiting exo and endo furan-maleimide Diels–Alder linkages for the functionalization of organoruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02766B","","x-ray","1.34139","GaKα","","0.139","0.096","","","0.2704","0.3197","","","","","","1.051","","","","has coordinates,has disorder","271995","2022-01-11","23:49:09",""
"7709286","14.7548","0.0007","14.9919","0.0008","33.94","0.0017","90","","90","","90","","7507.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C31 H48 N4 O12 Pd S2 -","- C31 H48 N4 O12 Pd S2 -","- C248 H384 N32 O96 Pd8 S16 -","8","1","","Serrano, Jose Luis; Gaware, Sujeet; Pérez de Haro, Jose Antonio; Pérez, Jose; Lozano, Pedro; Kori, Santosh; Dandela, Rambabu; Sanghvi, Yogesh S.; Kapdi, Anant R.","Quadrol-Pd(II) complexes: phosphine-free precatalysts for the room-temperature Suzuki-Miyaura synthesis of nucleoside analogues in aqueous media","Dalton Transactions","2022","","","","","10.1039/D1DT03778A","","","0.71073","MoKα","","0.0721","0.059","","","0.1407","0.1467","","","","","","1.21","","","","has coordinates","271996","2022-01-11","23:49:55",""
"7709287","9.0082","0.0005","11.6508","0.0008","18.8174","0.0012","90","","90.478","0.003","90","","1974.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cl2 N2 O4 Pd -","- C14 H32 Cl2 N2 O4 Pd -","- C56 H128 Cl8 N8 O16 Pd4 -","4","1","","Serrano, Jose Luis; Gaware, Sujeet; Pérez de Haro, Jose Antonio; Pérez, Jose; Lozano, Pedro; Kori, Santosh; Dandela, Rambabu; Sanghvi, Yogesh S.; Kapdi, Anant R.","Quadrol-Pd(II) complexes: phosphine-free precatalysts for the room-temperature Suzuki-Miyaura synthesis of nucleoside analogues in aqueous media","Dalton Transactions","2022","","","","","10.1039/D1DT03778A","","","0.71073","MoKα","","0.0704","0.0569","","","0.1391","0.1474","","","","","","1.079","","","","has coordinates,has disorder","271996","2022-01-11","23:49:56",""
"7709288","14.9053","0.0013","10.0058","0.0009","40.988","0.004","90","","96.581","0.003","90","","6072.6","1","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 Cl2 Ga N2 -","- C30 H43 Cl2 Ga N2 -","- C240 H344 Cl16 Ga8 N16 -","8","2","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","1.54178","CuKα","","0.0482","0.0449","","","0.1224","0.1258","","","","","","1.017","","","","has coordinates,has disorder","272670","2022-02-04","19:39:08",""
"7709289","21.398","0.003","12.377","0.0015","24.247","0.003","90","","106.591","0.002","90","","6154.3","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H98 Cl2 Ga2 N4 -","- C65 H98 Cl2 Ga2 N4 -","- C260 H392 Cl8 Ga8 N16 -","4","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0508","0.0334","","","0.075","0.0812","","","","","","1.055","","","","has coordinates,has disorder","272670","2022-02-04","19:39:09",""
"7709290","9.0298","0.0008","20.455","0.002","9.5707","0.0009","90","","117.7","0.005","90","","1565.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C30 H41 Cl4 Ga N2 -","- C30 H41 Cl4 Ga N2 -","- C60 H82 Cl8 Ga2 N4 -","2","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0381","0.0305","","","0.0756","0.0795","","","","","","1.046","","","","has coordinates","272670","2022-02-04","19:39:09",""
"7709291","14.7721","0.0012","21.3648","0.0019","9.6684","0.0008","90","","90","","90","","3051.4","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H42 Cl3 Ga N2 -","- C30 H42 Cl3 Ga N2 -","- C120 H168 Cl12 Ga4 N8 -","4","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0598","0.0461","","","0.1049","0.11","","","","","","1.08","","","","has coordinates","272670","2022-02-04","19:39:09",""
"7709292","13.931","0.002","24.762","0.004","18.434","0.003","90","","92.86","0.007","90","","6351.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H89 Cl3 Ga2 N4 Si -","- C64 H89 Cl3 Ga2 N4 Si -","- C256 H356 Cl12 Ga8 N16 Si4 -","4","1","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.063","0.0371","","","0.085","0.0971","","","","","","1.017","","","","has coordinates,has disorder","272670","2022-02-04","19:39:09",""
"7709293","12.8721","0.0012","15.8286","0.0015","20.983","0.002","92.951","0.005","91.421","0.005","109.252","0.004","4026.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H109 Cl4 Ga2 N4 Si -","- C85 H109 Cl4 Ga2 N4 Si -","- C170 H218 Cl8 Ga4 N8 Si2 -","2","1","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0442","0.0319","","","0.0789","0.0892","","","","","","1.069","","","","has coordinates,has disorder","272670","2022-02-04","19:39:09",""
"7709294","15.7276","0.0013","21.0688","0.0017","9.4846","0.0008","90","","90","","90","","3142.8","0.4","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Cl3 Ga N2 Si -","- C29 H42 Cl3 Ga N2 Si -","- C116 H168 Cl12 Ga4 N8 Si4 -","4","0.5","","Helling, Christoph; Ganesamoorthy, Chelladurai; Wölper, Christoph; Schulz, Stephan","Geminal C-Cl and Si-Cl bond activation of chloromethanes and chlorosilanes by gallanediyl LGa.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","2050","2058","10.1039/d1dt04192d","","","0.71073","MoKα","","0.0385","0.0309","","","0.0764","0.0823","","","","","","1.089","","","","has coordinates,has disorder","272670","2022-02-04","19:39:09",""
"7709295","14.5164","0.0006","27.949","0.001","24.4264","0.001","90","","102.955","0.0012","90","","9658","0.7","129","","129","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H55 B2 F48 N2 Pd3 -","- C101 H55 B2 F48 N2 Pd3 -","- C404 H220 B8 F192 N8 Pd12 -","4","1","","Yamamoto, Koji; Sugawa, Tsuyoshi; Kondo, Mio; Masaoka, Shigeyuki; Murahashi, Tetsuro","Bridging coordination of acenaphthylene to a Pd<sub>3</sub> chain or a Pd<sub>4</sub> sheet cluster.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1901","1906","10.1039/d1dt04071e","","","0.71075","MoKα","","0.107","0.0763","","","0.1944","0.2171","","","","","","1.061","","","","has coordinates","272671","2022-02-04","19:39:27",""
"7709296","10.7362","0.0004","18.4776","0.0006","19.2924","0.0006","115.372","0.0009","97.035","0.0012","90.4714","0.0012","3424.2","0.2","165","","165","","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H62 Cl F12 P4 Pd4 -","- C71.5 H62 Cl F12 P4 Pd4 -","- C143 H124 Cl2 F24 P8 Pd8 -","2","1","","Yamamoto, Koji; Sugawa, Tsuyoshi; Kondo, Mio; Masaoka, Shigeyuki; Murahashi, Tetsuro","Bridging coordination of acenaphthylene to a Pd<sub>3</sub> chain or a Pd<sub>4</sub> sheet cluster.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1901","1906","10.1039/d1dt04071e","","","0.71075","MoKα","","0.0823","0.0668","","","0.1996","0.2125","","","","","","1.041","","","","has coordinates,has disorder","272671","2022-02-04","19:39:27",""
"7709297","9.0058","0.0012","24.672","0.003","7.7615","0.0011","90","","114.513","0.005","90","","1569.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H18 Fe2 N2 O2 -","- C18 H18 Fe2 N2 O2 -","- C72 H72 Fe8 N8 O8 -","4","1","","Bresciani, Giulio; Schoch, Silvia; Biancalana, Lorenzo; Zacchini, Stefano; Bortoluzzi, Marco; Pampaloni, Guido; Marchetti, Fabio","Cyanide-alkene competition in a diiron complex and isolation of a multisite (cyano)alkylidene-alkene species.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1936","1945","10.1039/d1dt03781a","","","0.71073","MoKα","","0.0954","0.0847","","","0.2126","0.2166","","","","","","1.242","","","","has coordinates","272677","2022-02-04","19:41:14",""
"7709298","6.6406","0.0006","22.157","0.002","8.7863","0.0006","90","","101.98","0.004","90","","1264.62","0.18","301","","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B5 Ba2 H8 N O16 -","- B5 Ba2 H8 N O16 -","- B20 Ba8 H32 N4 O64 -","4","1","","Hu, Huaiyu; Huang, Junben; Guo, Zhiyong; Zhang, Min; Yang, Zhihua; Pan, Shilie","Ba<sub>2</sub>B<sub>5</sub>O<sub>8</sub>(OH)<sub>2</sub>(NO<sub>3</sub>)·3H<sub>2</sub>O: the design of an alkaline earth metal borate-nitrate optimized from a hydroxylic borate.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1979","1984","10.1039/d1dt03660b","","","0.71073","MoKα","","0.0502","0.0398","","","0.0899","0.1012","","","","","","1.079","","","","has coordinates","272674","2022-02-04","19:40:40",""
"7709299","15.1288","0.0018","15.8035","0.0018","22.479","0.003","90","","101.07","0.002","90","","5274.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H83 N3 O4.5 Si2 Yb -","- C46 H83 N3 O4.5 Si2 Yb -","- C184 H332 N12 O18 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.","2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1995","2004","10.1039/d1dt04139h","","","0.71073","MoKα","","0.0923","0.048","","","0.1068","0.1264","","","","","","1","","","","has coordinates,has disorder","272678","2022-02-04","19:41:39",""
"7709300","14.7864","0.0002","18.1974","0.0002","18.7593","0.0003","90","","98.668","0.001","90","","4989.99","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H84 N2 O5.5 Si Y -","- C47 H84 N2 O5.5 Si Y -","- C188 H336 N8 O22 Si4 Y4 -","4","1","","Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.","2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1995","2004","10.1039/d1dt04139h","","","0.71073","MoKα","","0.0881","0.0556","","","0.1118","0.124","","","","","","1.034","","","","has coordinates,has disorder","272678","2022-02-04","19:41:41",""
"7709301","23.397","0.0013","17.8742","0.001","20.0635","0.0011","90","","110.496","0.001","90","","7859.5","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H130 Ca N4 Na2 O6 -","- C82 H130 Ca N4 Na2 O6 -","- C328 H520 Ca4 N16 Na8 O24 -","4","0.5","","Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.","2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1995","2004","10.1039/d1dt04139h","","","0.71073","MoKα","","0.0603","0.0473","","","0.122","0.1316","","","","","","1.014","","","","has coordinates,has disorder","272678","2022-02-04","19:41:41",""
"7709302","19.1393","0.0014","17.1302","0.0013","13.5419","0.001","90","","130.556","0.001","90","","3373.3","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H108 Ca2 N4 O5 -","- C72 H108 Ca2 N4 O5 -","- C144 H216 Ca4 N8 O10 -","2","0.5","","Basalov, Ivan V.; Kissel, Alexander A.; Nikolaevskaya, Elena N.; Druzhkov, Nikolai O.; Cherkasov, Anton V.; Long, Jérôme; Larionova, Joulia; Fukin, Georgy K.; Trifonov, Alexander A.","2-Imino-2,3-dihydrobenzoxazole-a useful platform for designing rare- and alkaline earth complexes with variable di- and trianionic O,N,N, ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1995","2004","10.1039/d1dt04139h","","","0.71073","MoKα","","0.0712","0.064","","","0.1606","0.1657","","","","","","1.061","","","","has coordinates,has disorder","272678","2022-02-04","19:41:41",""
"7709303","13.0683","0.0007","15.7834","0.001","16.6333","0.0011","114.266","0.003","99.41","0.003","102.907","0.003","2920.1","0.3","293","2","293.04","","","","","","","","","7","P 1","P 1","1","","","","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","- C49.7 H42.62 Cu8 K4 Mn13 Na6 O101.7 -","1","1","","Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian","Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets","Dalton Transactions","2022","","","","","10.1039/D1DT04291B","","","0.71073","MoKα","","0.0847","0.0619","","","0.1543","0.1688","","","","","","1.041","","","","has coordinates,has disorder","272061","2022-01-15","23:39:03",""
"7709304","13.0061","0.0005","15.9364","0.0006","16.6526","0.0006","114.136","0.001","99.411","0.001","102.301","0.001","2953.4","0.2","293","2","293.04","","","","","","","","","7","P 1","P 1","1","","","","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","- C49.7 H45.63 Cu8 K4 Mn13 Na6 O104.6 -","1","1","","Peng, Zhiwei; Li, Shu; Li, Ao; Liao, Jiaming; Wang, Yiman; Li, Xudong; Meng, Wei; Zhang, Jian","Heterometallic Chiral [Mn13Cu8] Single-Molecule Magnets","Dalton Transactions","2022","","","","","10.1039/D1DT04291B","","","0.71073","MoKα","","0.0525","0.0491","","","0.1366","0.1412","","","","","","1.033","","","","has coordinates,has disorder","272061","2022-01-15","23:39:04",""
"7709305","10.603","0.004","13.87","0.005","13.974","0.005","101.884","0.004","96.491","0.002","105.675","0.002","1904.9","1.2","103","2","103","2","","","","","","","","3","P 1","P 1","1","","1,2-bis(2-(2,4-6-tri-tert-butylphenyl)diphosphenyl)-[1,1'-binaphthalen]-3-yl)ethane","","- C92 H102 P4 -","- C92 H102 P4 -","- C92 H102 P4 -","1","1","","Ura, Rikako; Tsurusaki, Akihiro; Kamikawa, Ken","Palladium(II) Complexes of Bis(diphosphene) with the Different Coordination Behavior","Dalton Transactions","2022","","","","","10.1039/D1DT03806K","","","0.71075","MoKα","","0.0431","0.0373","","","0.0936","0.0966","","","","","","1.018","","","","has coordinates","272089","2022-01-17","23:45:43",""
"7709306","11.8984","0.001","12.8002","0.001","11.1706","0.0009","90","","101.831","0.002","90","","1665.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C80 H60 N12 O12 -","4","1","","Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan","Idiosyncatic recognition of Zn<sup>2+</sup> and CN<sup>-</sup> using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3198","3212","10.1039/d1dt03654h","","","0.71073","MoKα","","0.0671","0.053","","","0.1442","0.1595","","","","","","1.215","","","","has coordinates","273369","2022-03-04","22:13:58",""
"7709307","17.5384","0.0014","17.6613","0.0012","24.5865","0.0016","97.163","0.002","100.276","0.002","106.205","0.002","7072.1","0.9","100.4","","100.4","","","","","","","","","6","P -1","-P 1","2","","","","- C245.78 H168.66 N36 O39.78 S1.57 Zn12 -","- C245.778 H168.666 N36 O39.778 S1.572 Zn12 -","- C245.778 H168.666 N36 O39.778 S1.572 Zn12 -","1","0.5","","Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan","Idiosyncatic recognition of Zn<sup>2+</sup> and CN<sup>-</sup> using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3198","3212","10.1039/d1dt03654h","","","0.71073","MoKα","","0.1108","0.0612","","","0.1451","0.1656","","","","","","1.043","","","","has coordinates,has disorder","273369","2022-03-04","22:13:59",""
"7709308","17.0191","0.0009","11.9932","0.0006","17.223","0.0009","90","","108.585","0.002","90","","3332.1","0.3","110","2","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 Cl4 N P2 Re -","- C35 H32 Cl4 N P2 Re -","- C140 H128 Cl16 N4 P8 Re4 -","4","1","","Wang, Yilun; Sun, Yue; Bai, Wei; Zhou, Yan; Bao, Xiao; Yang, Li","Synthesis, Structure and Aromaticity of Metallapyridinium Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04096K","","","0.71073","MoKα","","0.0173","0.0159","","","0.0386","0.0391","","","","","","1.036","","","","has coordinates","272114","2022-01-18","23:53:13",""
"7709309","19.2784","0.0008","22.0302","0.0009","17.072","0.0007","90","","106.164","0.001","90","","6964","0.5","190","2","190","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C75 H71 B Cl3 N O P3 Re -","- C75 H71 B Cl3 N O P3 Re -","- C300 H284 B4 Cl12 N4 O4 P12 Re4 -","4","1","","Wang, Yilun; Sun, Yue; Bai, Wei; Zhou, Yan; Bao, Xiao; Yang, Li","Synthesis, Structure and Aromaticity of Metallapyridinium Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04096K","","","0.71073","MoKα","","0.107","0.0507","","","0.1013","0.1156","","","","","","0.95","","","","has coordinates","272114","2022-01-18","23:53:14",""
"7709310","21.593","0.013","17.946","0.012","15.446","0.01","90","","112.98","0.03","90","","5510","6","199","2","199","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 B3 F6 N8 -","- C22 H21 B3 F6 N8 -","- C176 H168 B24 F48 N64 -","8","1","","Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion","Dalton Transactions","2022","","","","","10.1039/D1DT04203C","","","1.34139","GaKα","","0.1521","0.0617","","","0.1495","0.1908","","","","","","0.983","","","","has coordinates,has disorder","272115","2022-01-18","23:54:09",""
"7709311","8.3897","0.0002","21.0157","0.0006","13.7432","0.0004","90","","100.331","0.001","90","","2383.85","0.11","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B4 F6 N8 O -","- C22 H20 B4 F6 N8 O -","- C88 H80 B16 F24 N32 O4 -","4","1","","Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion","Dalton Transactions","2022","","","","","10.1039/D1DT04203C","","","1.34139","GaKα","","0.0433","0.0363","","","0.0966","0.1035","","","","","","1.056","","","","has coordinates","272115","2022-01-18","23:54:10",""
"7709312","12.673","0.001","24.2903","0.0019","8.7967","0.0008","90","","107.285","0.005","90","","2585.6","0.4","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 B4 Br2 F6 N8 O -","- C22 H18 B4 Br2 F6 N8 O -","- C88 H72 B16 Br8 F24 N32 O4 -","4","0.5","","Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion","Dalton Transactions","2022","","","","","10.1039/D1DT04203C","","","1.34139","GaKα","","0.0471","0.0352","","","0.0849","0.0902","","","","","","1.059","","","","has coordinates","272115","2022-01-18","23:54:10",""
"7709313","9.2437","0.0008","12.7062","0.001","13.7867","0.001","107.288","0.002","98.865","0.003","96.501","0.003","1505.8","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 B4 Br2 F6 N8 O -","- C22 H18 B4 Br2 F6 N8 O -","- C44 H36 B8 Br4 F12 N16 O2 -","2","1","","Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion","Dalton Transactions","2022","","","","","10.1039/D1DT04203C","","","0.71073","MoKα","","0.0517","0.0425","","","0.1117","0.1173","","","","","","1.04","","","","has coordinates","272115","2022-01-18","23:54:10",""
"7709314","21.593","0.013","17.946","0.012","15.446","0.01","90","","112.98","0.03","90","","5510","6","199","2","199","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 B3 F6 N8 -","- C22 H21 B3 F6 N8 -","- C176 H168 B24 F48 N64 -","8","1","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","1.34139","GaKα","","0.1521","0.0617","","","0.1495","0.1908","","","","","","0.983","","","","has coordinates,has disorder","273363","2022-03-04","22:12:09",""
"7709315","12.673","0.001","24.2903","0.0019","8.7967","0.0008","90","","107.285","0.005","90","","2585.6","0.4","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 B4 Br2 F6 N8 O -","- C22 H18 B4 Br2 F6 N8 O -","- C88 H72 B16 Br8 F24 N32 O4 -","4","0.5","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","1.34139","GaKα","","0.0471","0.0352","","","0.0849","0.0902","","","","","","1.059","","","","has coordinates","273363","2022-03-04","22:12:10",""
"7709316","8.3897","0.0002","21.0157","0.0006","13.7432","0.0004","90","","100.331","0.001","90","","2383.85","0.11","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B4 F6 N8 O -","- C22 H20 B4 F6 N8 O -","- C88 H80 B16 F24 N32 O4 -","4","1","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","1.34139","GaKα","","0.0433","0.0363","","","0.0966","0.1035","","","","","","1.056","","","","has coordinates","273363","2022-03-04","22:12:10",""
"7709317","9.2437","0.0008","12.7062","0.001","13.7867","0.001","107.288","0.002","98.865","0.003","96.501","0.003","1505.8","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 B4 Br2 F6 N8 O -","- C22 H18 B4 Br2 F6 N8 O -","- C44 H36 B8 Br4 F12 N16 O2 -","2","1","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","0.71073","MoKα","","0.0517","0.0425","","","0.1117","0.1173","","","","","","1.04","","","","has coordinates","273363","2022-03-04","22:12:10",""
"7709318","12.0127","0.0001","14.4319","0.0002","32.144","0.0005","90","","90","","90","","5572.68","0.13","150","0.3","150","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBu-PBP-Pt-SH","","- C24 H45 B N2 P2 Pt S -","- C24 H45 B N2 P2 Pt S -","- C192 H360 B8 N16 P16 Pt8 S8 -","8","1","","Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04179G","","x-ray","1.54184","CuKα","","0.0597","0.0416","","","0.108","0.1174","","","","","","1.088","","","","has coordinates","272117","2022-01-18","23:56:18",""
"7709319","8.3204","0.0003","12.0711","0.0004","13.4168","0.0004","100.588","0.003","95.692","0.003","104.316","0.003","1268.58","0.08","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","tBu-POCOP-Pt-SH","","- C22 H40 O2 P2 Pt S -","- C22 H40 O2 P2 Pt S -","- C44 H80 O4 P4 Pt2 S2 -","2","1","","Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04179G","","x-ray","1.54184","CuKα","","0.0224","0.0204","","","0.0484","0.0491","","","","","","1.049","","","","has coordinates","272117","2022-01-18","23:56:18",""
"7709320","12.7901","0.0001","12.6583","0.0002","20.848","0.0002","90","","106.518","0.001","90","","3236.01","0.07","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 O2 P2 Pt S -","- C28 H44 O2 P2 Pt S -","- C112 H176 O8 P8 Pt4 S4 -","4","1","","Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04179G","","x-ray","1.54184","CuKα","","0.0354","0.0327","","","0.0887","0.0902","","","","","","1.074","","","","has coordinates","272117","2022-01-18","23:56:18",""
"7709321","12.8734","0.0001","17.4918","0.0002","14.8878","0.0002","90","","103.578","0.001","90","","3258.72","0.06","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","tBu-PBP-Pt-SPh","","- C30 H45 B N2 P2 Pt S -","- C30 H45 B N2 P2 Pt S -","- C120 H180 B4 N8 P8 Pt4 S4 -","4","1","","Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04179G","","x-ray","1.54184","CuKα","","0.0632","0.0567","","","0.1682","0.1732","","","","","","1.158","","","","has coordinates","272117","2022-01-18","23:56:19",""
"7709322","10.6648","0.0004","10.9074","0.0004","17.4597","0.0007","97.479","0.001","101.032","0.001","97.923","0.001","1948.68","0.13","213","","212.97","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Eu N O11 -","- C37 H30 Eu N O11 -","- C74 H60 Eu2 N2 O22 -","2","1","","Wu, Jiaqi; Ma, Xin-Yue; Liang, Chenglong; Lu, Jian-Mei; shi, qian; Shao, Li-Xiong","Design of an antenna effective Eu(III)-based metal-organic framework for highly selective sensing of Fe3+","Dalton Transactions","2022","","","","","10.1039/D1DT03995D","","","0.71073","MoKα","","0.054","0.044","","","0.1094","0.1161","","","","","","1.09","","","","has coordinates","272118","2022-01-18","23:56:58",""
"7709323","8.8639","0.0002","12.4149","0.0002","12.1003","0.0003","90","","111.125","0.002","90","","1242.08","0.05","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cl4 Se W -","- Cl4 Se W -","- Cl32 Se8 W8 -","8","2","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","1.54184","CuKα","","0.0183","0.0162","","","0.0392","0.0398","","","","","","1.017","","","","has coordinates","272142","2022-01-19","23:52:28",""
"7709324","5.8784","0.0002","7.8378","0.0004","14.814","0.0006","90","","88.834","0.003","90","","682.39","0.05","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H3 Cl4 N Se W -","- C2 H3 Cl4 N Se W -","- C4 H6 Cl8 N2 Se2 W2 -","2","0.5","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.039","","","0.1029","0.1089","","","","","","1.059","","","","has coordinates,has disorder","272142","2022-01-19","23:52:29",""
"7709325","18.8765","0.001","7.3681","0.0003","22.871","0.0013","90","","104.559","0.006","90","","3078.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 Cl4 N O Se W -","- C9 H13 Cl4 N O Se W -","- C72 H104 Cl32 N8 O8 Se8 W8 -","8","1","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71075","MoKα","K-L~3~","0.0515","0.0395","","","0.0888","0.0931","","","","","","1.053","","","","has coordinates,has disorder","272142","2022-01-19","23:52:29",""
"7709326","6.6025","0.0002","10.2899","0.0005","12.2583","0.0006","89.211","0.004","85.388","0.003","81.076","0.003","820.07","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C2 H6 Cl8 Se3 W2 -","- C2 H6 Cl8 Se3 W2 -","- C4 H12 Cl16 Se6 W4 -","2","1","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","K-L~3~","0.0459","0.0363","","","0.072","0.0786","","","","","","1.011","","","","has coordinates","272142","2022-01-19","23:52:29",""
"7709327","22.117","0.0004","6.514","0.0001","11.5767","0.0002","90","","90.841","0.002","90","","1667.68","0.05","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Cl8 O2 Se2 W2 -","- C4 H8 Cl8 O2 Se2 W2 -","- C16 H32 Cl32 O8 Se8 W8 -","4","0.5","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","","0.0226","0.0207","","","0.0487","0.0494","","","","","","1.071","","","","has coordinates","272142","2022-01-19","23:52:29",""
"7709328","13.5882","0.00013","19.5279","0.0002","6.69716","0.00007","90","","90","","90","","1777.08","0.03","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl6 S2 Se3 W2 -","- C4 H12 Cl6 S2 Se3 W2 -","- C16 H48 Cl24 S8 Se12 W8 -","4","0.5","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","1.54184","CuKα","","0.0295","0.0295","","","0.0705","0.0706","","","","","","1.188","","","","has coordinates","272142","2022-01-19","23:52:29",""
"7709329","6.03153","0.00011","15.4384","0.0004","20.1476","0.0005","103.815","0.002","94.9132","0.0017","98.3755","0.0017","1788.17","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl8 N2 Se2 W2 -","- C28 H26 Cl8 N2 Se2 W2 -","- C56 H52 Cl16 N4 Se4 W4 -","2","1","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","K-L~3~","0.0503","0.0414","","","0.0959","0.0996","","","","","","1.057","","","","has coordinates","272142","2022-01-19","23:52:30",""
"7709330","12.59105","0.00017","11.06907","0.00014","15.00109","0.00019","90","","96.3449","0.0012","90","","2077.91","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl4 O P Se W -","- C18 H15 Cl4 O P Se W -","- C72 H60 Cl16 O4 P4 Se4 W4 -","4","1","","Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian","Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT03980F","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.0205","","","0.0368","0.038","","","","","","1.019","","","","has coordinates","272142","2022-01-19","23:52:30",""
"7709331","23.936","0.002","18.22","0.002","19.26","0.002","90","","106.755","0.002","90","","8043","1.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H58 Mo12 N12 O40.5 P Zn2 -","- C55 H56 Mo12 N12 O40.5 P Zn2 -","- C220 H224 Mo48 N48 O162 P4 Zn8 -","4","0.5","","Zhu, Yinhua; Yang, Jianbo; Liu, Xiaomei; Wang, Jilei; Ping, Qingdong; Du, Zeyu; Li, Jianian; Zang, Tingting; Mei, Hua; Xu, Yan","Two POM-based compounds containing Zn-capped Keggin anions as decent heterogeneous catalysts for sulfur oxidation and cycloaddition of CO2 reactions","Dalton Transactions","2022","","","","","10.1039/D1DT04348J","","","0.71073","MoKα","","0.0301","0.0253","","","0.0595","0.0612","","","","","","1.011","","","","has coordinates","272143","2022-01-19","23:54:10",""
"7709332","32.635","0.002","32.635","0.002","34.282","0.003","90","","90","","90","","36512","4","296","2","296","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C59 H99 Mo12 N8 O40 P Zn4 -","- C59 H95 Mo12 N8 O40 P Zn4 -","- C944 H1520 Mo192 N128 O640 P16 Zn64 -","16","1","","Zhu, Yinhua; Yang, Jianbo; Liu, Xiaomei; Wang, Jilei; Ping, Qingdong; Du, Zeyu; Li, Jianian; Zang, Tingting; Mei, Hua; Xu, Yan","Two POM-based compounds containing Zn-capped Keggin anions as decent heterogeneous catalysts for sulfur oxidation and cycloaddition of CO2 reactions","Dalton Transactions","2022","","","","","10.1039/D1DT04348J","","","0.71073","MoKα","","0.0428","0.0339","","","0.0751","0.0791","","","","","","1.064","","","","has coordinates","272143","2022-01-19","23:54:11",""
"7709333","12.8596","0.0013","19.9924","0.0013","11.5815","0.0009","90","","105.584","0.002","90","","2868.1","0.4","296.15","","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C10 H32 Cu5.83 N12 O56 P W11.18 -","- C10 H20 Cu5.82 N12 O50 P W11.18 -","- C20 H40 Cu11.64 N24 O100 P2 W22.36 -","2","0.25","","Wang, Yue; Xu, Na; Zhang, Yue; Zhang, Tong; Zhang, Zhong; Li, Xiao-Hui; Wang, Xiu-Li","A Keggin-type polyoxometalate-based metal–organic complex as a highly efficient heterogeneous catalyst for the selective oxidation of alkylbenzenes","Dalton Transactions","2022","","","","","10.1039/D1DT03823K","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.0353","","","0.0723","0.0753","","","","","","1.1","","","","has coordinates,has disorder","272144","2022-01-19","23:55:58",""
"7709334","23.112","0.002","13.4449","0.0012","11.1997","0.001","90","","90","","90","","3480.2","0.5","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Z)-2,2-dimethyl-1-((triphenylsilyl)oxy)propylidene)(triphenylsilyl)","","- C10.25 H9.75 O0.25 P0.25 Si0.5 -","- C10.25 H9.75 O0.25 P0.25 Si0.5 -","- C164 H156 O4 P4 Si8 -","16","4","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0363","0.0328","","","0.0799","0.0852","","","","","","1.064","","","","has coordinates","272145","2022-01-19","23:58:08",""
"7709335","21.8306","0.0007","10.5494","0.0003","18.6773","0.0006","90","","90","","90","","4301.4","0.2","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(I)","","- C9.68 H10.74 Au0.21 N0.63 P0.21 Si0.21 -","- C9.68421 H10.7368 Au0.210526 N0.631579 P0.210526 Si0.210526 -","- C184 H204 Au4 N12 P4 Si4 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0238","0.0191","","","0.0373","0.0388","","","","","","1.008","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709336","12.2084","0.0003","12.5732","0.0004","16.8295","0.0005","98.695","0.002","107.907","0.002","101.613","0.002","2344.09","0.13","100.01","0.15","100","","","","","","","","","6","P -1","-P 1","2","","Bis(triphenylsilyl)phosphanide sodium(18-crown-6)(1,2-dimethoxyethane)1/2 salt","","- C50 H59 Na O7 P Si2 -","- C50 H59 Na O7 P Si2 -","- C100 H118 Na2 O14 P2 Si4 -","2","1","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0564","0.0393","","","0.0861","0.0938","","","","","","1.018","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709337","9.8439","0.0002","17.8101","0.0003","21.7832","0.0004","90","","90","","90","","3819.05","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-(mesityl((triphenylsilyl)oxy)methylene)(triphenylsilyl)phosphane","","- C9.68 H8.63 O0.21 P0.21 Si0.42 -","- C9.68421 H8.63158 O0.210526 P0.210526 Si0.421053 -","- C184 H164 O4 P4 Si8 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","1.54178","CuKα","","0.0362","0.0312","","","0.0762","0.0806","","","","","","1.041","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709338","9.5649","0.0002","20.049","0.0003","21.8272","0.0003","90","","90","","90","","4185.73","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I)","","- C10.22 H11.33 Ag0.22 N0.67 P0.22 Si0.22 -","- C10.2222 H11.3333 Ag0.222222 N0.666667 P0.222222 Si0.222222 -","- C184 H204 Ag4 N12 P4 Si4 -","18","4.5","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","x-ray","0.71073","MoKα","","0.0316","0.0278","","","0.0574","0.059","","","","","","1.037","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709339","13.2251","0.0005","14.2041","0.0005","15.3777","0.0005","90","","100.501","0.001","90","","2840.33","0.17","100","","100.02","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(trichlorosilyl)phoshanide tetraphenylphosphonium salt","","- C1.81 H1.51 Cl0.45 P0.15 Si0.15 -","- C1.81132 H1.50943 Cl0.45283 P0.150943 Si0.150943 -","- C96 H80 Cl24 P8 Si8 -","53","13.25","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0631","0.0366","","","0.07","0.0811","","","","","","1.076","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709340","21.5909","0.0006","10.7125","0.0003","18.4005","0.0004","90","","90","","90","","4255.9","0.19","100","2","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)","","- C9.68 H10.74 Cu0.21 N0.63 P0.21 Si0.21 -","- C9.68421 H10.7368 Cu0.210526 N0.631579 P0.210526 Si0.210526 -","- C184 H204 Cu4 N12 P4 Si4 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","0.71073","MoKα","","0.0311","0.0242","","","0.05","0.0547","","","","","","1.049","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709341","13.7572","0.0004","19.9652","0.0006","10.5884","0.0003","90","","108.704","0.003","90","","2754.67","0.15","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl4 Mo8 O28 S4 -","- C32 H44 Cl4 Mo8 O28 S4 -","- C64 H88 Cl8 Mo16 O56 S8 -","2","0.5","","Singh, Mahender; Pradeep, Chullikkattil P.","Modulation of photocatalytic properties through counter-ion substitution: tuning the bandgaps of aromatic sulfonium octamolybdates for efficient photo-degradation of rhodamine B.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3122","3136","10.1039/d1dt03609b","","x-ray","0.71073","MoKα","","0.0566","0.0367","","","0.0705","0.0894","","","","","","1.0409","","","","has coordinates","273366","2022-03-04","22:13:13",""
"7709342","14.05","0.0009","5.0906","0.0003","26.2723","0.0016","90","","104.268","0.006","90","","1821.1","0.2","173.2","0.1","173.2","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cu N O5 -","- C10 H6 Cu N O5 -","- C80 H48 Cu8 N8 O40 -","8","1","","Yu, XinXin; Cheng, Hao; Li, Xuan; Li, YaJun; Song, Xue-Qin","A hydrostable CuII coordination network prepared hydrothermally as “turn–on” fluorescent sensor for S2– and selective adsorbent for methylene blue","Dalton Transactions","2022","","","","","10.1039/D1DT04283A","","x-ray","1.54184","CuKα","","0.0456","0.0447","","","0.1248","0.1257","","","","","","1.055","","","","has coordinates,has disorder","272171","2022-01-20","23:58:12",""
"7709343","22.8908","0.0004","22.8908","0.0004","13.8848","0.0003","90","","90","","120","","6300.7","0.2","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C6.58 H10 Cu0.44 F2.67 N3.33 P0.44 -","- C6.58311 H10 Cu0.444444 F2.66667 N3.33333 P0.444444 -","- C177.744 H270 Cu12 F72 N90 P12 -","27","4.5","","Chen, Chih-Yu; Tsai, Ming-Li","Tris(imidazolyl) dicopper(i) complex and its reactivity to exert the catalytic oxidation of sterically hindered phenol substrates via a [Cu2O]2+ core","Dalton Transactions","2022","","","","","10.1039/D1DT04084G","","x-ray","0.71073","MoKα","","0.138","0.0874","","","0.217","0.247","","","","","","1.026","","","","has coordinates,has disorder","272172","2022-01-20","23:58:42",""
"7709344","21.6102","0.0019","9.4202","0.0008","21.831","0.002","90","","94.067","0.002","90","","4433","0.7","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C208 H196 B4 Co4 N16 O8 -","- C208 H196 B4 Co4 N16 O8 -","- C208 H196 B4 Co4 N16 O8 -","1","0.25","","Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti","Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02235K","","","0.71073","MoKα","","0.0732","0.0436","","","0.0943","0.1069","","","","","","1.04","","","","has coordinates","272173","2022-01-20","23:59:42",""
"7709345","18.507","0.005","20.425","0.005","25.548","0.007","102.515","0.007","95.986","0.007","106.785","0.007","8881","4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C424.2 H399.3 B8 Co8 N32 O28 -","- C424.2 H399.3 B8 Co8 N32 O28 -","- C424.2 H399.3 B8 Co8 N32 O28 -","1","0.5","","Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti","Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02235K","","","0.71073","MoKα","","0.2723","0.1287","","","0.3226","0.4134","","","","","","1.081","","","","has coordinates,has disorder","272173","2022-01-20","23:59:42",""
"7709346","11.211","0.002","14.094","0.003","14.988","0.003","86.897","0.004","88.338","0.004","70.768","0.004","2232.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H53 B Co N4 O3 -","- C54 H53 B Co N4 O3 -","- C108 H106 B2 Co2 N8 O6 -","2","1","","Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti","Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02235K","","","0.71073","MoKα","","0.0539","0.0368","","","0.0809","0.0879","","","","","","1.071","","","","has coordinates,has disorder","272173","2022-01-20","23:59:43",""
"7709347","16.5064","0.0006","11.9166","0.0004","27.6323","0.0008","90","","119.47","0.002","90","","4732","0.3","293","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H55 B Co N4 O3 -","- C59 H55 B Co N4 O3 -","- C236 H220 B4 Co4 N16 O12 -","4","1","","Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti","Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT02235K","","","0.71073","MoKα","","0.039","0.0309","","","0.0738","0.0782","","","","","","1.035","","","","has coordinates","272173","2022-01-20","23:59:43",""
"7709348","15.059","0.0016","15.3717","0.0016","22.448","0.002","90","","93.002","0.005","90","","5189.2","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H60.5 Cl2 N6 Ni2 O16.75 P -","- C46 H60.5 Cl2 N6 Ni2 O16.75 P -","- C184 H242 Cl8 N24 Ni8 O67 P4 -","4","1","","Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone","Dalton Transactions","2022","","","","","10.1039/D1DT03813C","","","0.71073","MoKα","","0.0426","0.0351","","","0.0888","0.0921","","","","","","1.022","","","","has coordinates,has disorder","272215","2022-01-24","23:52:37",""
"7709349","18.9153","0.0006","13.8331","0.0004","16.2657","0.0005","90","","114.705","0.0012","90","","3866.5","0.2","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C88 H85 B N6 Ni2 O12 P2 -","- C88 H85 B N6 Ni2 O12 P2 -","- C176 H170 B2 N12 Ni4 O24 P4 -","2","0.5","","Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone","Dalton Transactions","2022","","","","","10.1039/D1DT03813C","","x-ray","1.54178","CuKα","","0.0298","0.0271","","","0.0704","0.072","","","","","","1.051","","","","has coordinates","272215","2022-01-24","23:52:38",""
"7709350","46.05","0.002","11.391","0.0005","28.5228","0.0013","90","","125.491","0.002","90","","12182","1","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H63 Cl2 N10 Ni2 O14 P -","- C60 H63 Cl2 N10 Ni2 O14 P -","- C480 H504 Cl16 N80 Ni16 O112 P8 -","8","1","","Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten","Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone","Dalton Transactions","2022","","","","","10.1039/D1DT03813C","","x-ray","0.71073","MoKα","","0.0511","0.0404","","","0.0917","0.0964","","","","","","1.084","","","","has coordinates,has disorder","272215","2022-01-24","23:52:38",""
"7709351","19.8695","0.0014","20.1675","0.0014","21.5072","0.0015","68.2219","0.001","84.2175","0.001","61.4812","0.0009","7001.2","0.9","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 Nd3 O7 Si6 -","- C97 H152 Cl Li N9 Nd3 O7 Si6 -","- C194 H304 Cl2 Li2 N18 Nd6 O14 Si12 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1627","0.0705","","","0.1612","0.2029","","","","","","0.963","","","","has coordinates","272216","2022-01-24","23:55:10",""
"7709352","19.7356","0.0017","20.0788","0.0018","21.4057","0.0019","68.002","0.001","84.065","0.001","61.686","0.001","6895.2","1.1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Yb3 -","- C97 H152 Cl Li N9 O7 Si6 Yb3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Yb6 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1491","0.0687","","","0.1591","0.1959","","","","","","1.022","","","","has coordinates","272216","2022-01-24","23:55:11",""
"7709353","19.8493","0.0016","20.2615","0.0017","21.6207","0.0018","67.224","0.001","83.793","0.001","61.753","0.001","7032.3","1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Gd3 Li N9 O7 Si6 -","- C97 H152 Cl Gd3 Li N9 O7 Si6 -","- C194 H304 Cl2 Gd6 Li2 N18 O14 Si12 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1749","0.0701","","","0.1509","0.1922","","","","","","0.938","","","","has coordinates","272216","2022-01-24","23:55:11",""
"7709354","19.827","0.003","20.177","0.003","21.529","0.003","67.638","0.002","83.935","0.002","61.667","0.002","6981.1","1.8","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Dy3 Li N9 O7 Si6 -","- C97 H152 Cl Dy3 Li N9 O7 Si6 -","- C194 H304 Cl2 Dy6 Li2 N18 O14 Si12 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1751","0.0787","","","0.177","0.2199","","","","","","1.017","","","","has coordinates","272216","2022-01-24","23:55:11",""
"7709355","19.8895","0.0016","20.3112","0.0017","21.6747","0.0018","67.074","0.001","83.823","0.001","61.8","0.001","7075.6","1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Sm3 -","- C97 H152 Cl Li N9 O7 Si6 Sm3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Sm6 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1265","0.0587","","","0.1378","0.1675","","","","","","0.995","","","","has coordinates","272216","2022-01-24","23:55:11",""
"7709356","19.816","0.002","20.172","0.002","21.517","0.002","67.643","0.001","83.979","0.002","61.661","0.001","6970.8","1.2","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Y3 -","- C97 H152 Cl Li N9 O7 Si6 Y3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Y6 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1939","0.0774","","","0.1811","0.2275","","","","","","0.956","","","","has coordinates,has disorder","272216","2022-01-24","23:55:11",""
"7709357","19.7581","0.0015","20.089","0.0015","21.4239","0.0016","67.998","0.001","84.06","0.001","61.627","0.001","6908.1","0.9","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Er3 Li N9 O7 Si6 -","- C97 H152 Cl Er3 Li N9 O7 Si6 -","- C194 H304 Cl2 Er6 Li2 N18 O14 Si12 -","2","1","","Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong","Synthesis and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane","Dalton Transactions","2022","","","","","10.1039/D1DT03384K","","","0.71073","MoKα","","0.1425","0.0641","","","0.1405","0.1763","","","","","","1.007","","","","has coordinates,has disorder","272216","2022-01-24","23:55:11",""
"7709358","14.0062","0.0006","11.928","0.0004","20.481","0.0012","90","","97.006","0.005","90","","3396.1","0.3","113.15","","113.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 B2 Ce F3 N12 O3 S -","- C25 H32 B2 Ce F3 N12 O3 S -","- C100 H128 B8 Ce4 F12 N48 O12 S4 -","4","1","","Yan, Wenchao; Cai, Zelun; Qi, Hao; Guo, Ruoyao; Liu, Zhiwei; Bian, Zuqiang","Deep-blue emitting cerium(III) complexes with tris(pyrazolyl)borate and triflate ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3234","3240","10.1039/d1dt04072c","","x-ray","0.71073","MoKα","","0.0779","0.0465","","","0.0858","0.0982","","","","","","1.027","","","","has coordinates","273371","2022-03-04","22:14:32",""
"7709359","13.9849","0.0002","16.0016","0.0003","34.7914","0.0006","90","","93.747","0.002","90","","7769","0.2","113.15","","113.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 B2 Ce F3 N12 O3 S -","- C31 H44 B2 Ce F3 N12 O3 S -","- C248 H352 B16 Ce8 F24 N96 O24 S8 -","8","2","","Yan, Wenchao; Cai, Zelun; Qi, Hao; Guo, Ruoyao; Liu, Zhiwei; Bian, Zuqiang","Deep-blue emitting cerium(III) complexes with tris(pyrazolyl)borate and triflate ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3234","3240","10.1039/d1dt04072c","","x-ray","0.71073","MoKα","","0.0723","0.0474","","","0.0901","0.1003","","","","","","1.044","","","","has coordinates","273371","2022-03-04","22:14:32",""
"7709360","20.788","0.004","19.333","0.003","44.011","0.008","90","","98.456","0.003","90","","17495","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H85 Cd4 N15 O56 Si6 V15 -","- C20 H63 Cd4 N15 O49 Si6 V15 -","- C160 H504 Cd32 N120 O392 Si48 V120 -","8","1","","Shi, Yu; Zhou, Tong; Di, Jia-Qi; Wang, Wenhui; Ma, Li; Zhang, Heng; Gao, Yuanzhe","Three Si-substituted polyoxovanadates as efficient catalysts for Knoevenagel condensation and selective oxidation of styrene to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3304","3313","10.1039/d1dt03862a","","","0.71073","MoKα","","0.1329","0.1091","","","0.253","0.2612","","","","","","1.084","","","","has coordinates,has disorder","273367","2022-03-04","22:13:27",""
"7709361","12.8549","0.0013","13.2678","0.0013","14.8024","0.0014","69.796","0.002","64.329","0.002","81.152","0.002","2135.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H98 Co4 N16 O57 Si4 V16 -","- C24 H72 Co4 N16 O47 Si4 V16 -","- C24 H72 Co4 N16 O47 Si4 V16 -","1","0.5","","Shi, Yu; Zhou, Tong; Di, Jia-Qi; Wang, Wenhui; Ma, Li; Zhang, Heng; Gao, Yuanzhe","Three Si-substituted polyoxovanadates as efficient catalysts for Knoevenagel condensation and selective oxidation of styrene to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3304","3313","10.1039/d1dt03862a","","","0.71073","MoKα","","0.0704","0.0463","","","0.1181","0.1313","","","","","","1.069","","","","has coordinates","273367","2022-03-04","22:13:27",""
"7709362","12.9632","0.0009","13.8288","0.001","14.4745","0.0011","91.784","0.001","98.765","0.001","96.339","0.001","2545.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H100 Co5 N16 O54 Si4 V16 -","- C24 H72 Co5 N16 O49 Si4 V16 -","- C24 H72 Co5 N16 O49 Si4 V16 -","1","0.5","","Shi, Yu; Zhou, Tong; Di, Jia-Qi; Wang, Wenhui; Ma, Li; Zhang, Heng; Gao, Yuanzhe","Three Si-substituted polyoxovanadates as efficient catalysts for Knoevenagel condensation and selective oxidation of styrene to benzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3304","3313","10.1039/d1dt03862a","","","0.71073","MoKα","","0.0583","0.0489","","","0.1393","0.1458","","","","","","1.019","","","","has coordinates","273367","2022-03-04","22:13:27",""
"7709363","29.633","0.014","18.58","0.009","19.796","0.01","90","","90","","90","","10899","9","296","2","296.15","","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C78 H108 Ag12 F18 N6 O12 S6 -","- C78 H110 Ag12 F17.996 N6 O12 S6 -","- C312 H440 Ag48 F71.984 N24 O48 S24 -","4","0.25","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0446","0.0286","","","0.06","0.0672","","","","","","1.015","","","","has coordinates,has disorder","273374","2022-03-04","22:15:29",""
"7709364","27.392","0.004","27.392","0.004","11.302","0.003","90","","90","","120","","7344","2","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H96 Ag12 F18 N6 O12 S6 -","- C72 H96 Ag12 F18 N6 O12 S6 -","- C216 H288 Ag36 F54 N18 O36 S18 -","3","0.166667","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0377","0.0286","","","0.0676","0.0725","","","","","","1.047","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709365","21.113","0.01","21.113","0.01","18.108","0.009","90","","90","","120","","6990","6","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H84 Ag12 F18 N6 O12 S6 -","- C66 H84 Ag12 F18 N6 O12 S6 -","- C198 H252 Ag36 F54 N18 O36 S18 -","3","0.166667","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0676","0.0394","","","0.0995","0.1121","","","","","","1.082","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709366","16.886","0.001","16.886","0.001","28.799","0.003","90","","90","","120","","7111.5","1","296","2","296.15","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C54 H148 Ag12 F18 N6 O18 S6 -","- C54 H148 Ag12 F18.006 N6 O18 S6 -","- C162 H444.001 Ag36 F54.018 N18 O54 S18 -","3","0.0833333","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0531","0.0467","","","0.1279","0.1321","","","","","","1.115","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709367","15.995","0.005","17.314","0.006","18.391","0.006","90","","90.3","","90","","5093","3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H100 Ag12 F18 N6 O14 S6 -","- C72 H100 Ag12 F18 N6 O14 S6 -","- C144 H200 Ag24 F36 N12 O28 S12 -","2","0.5","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0594","0.0387","","","0.0862","0.0983","","","","","","1.015","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709368","11.933","0.003","28.031","0.008","15.304","0.004","90","","98.596","0.004","90","","5062","2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H90 Ag12 F18 N6 O16 S6 -","- C66 H90 Ag12 F18 N6 O16 S6 -","- C132 H180 Ag24 F36 N12 O32 S12 -","2","0.5","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.088","0.0566","","","0.1365","0.1551","","","","","","1.045","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709369","20.625","0.005","20.625","0.005","40.283","0.009","90","","90","","120","","14840","6","296","2","296.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C70 H92 Ag12 F18 N6 O13 S6 -","- C66 H84 Ag12 F18 N6 O12 S6 -","- C396 H504 Ag72 F108 N36 O72 S36 -","6","0.333333","","Hu, Lei; Sheng, Ming-Ming; Qin, Shun-Shun; Shi, Hua-Tian; Strømme, Maria; Zhang, Qian-Feng; Xu, Chao","Molecular surface modification of silver chalcogenolate clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3241","3247","10.1039/d2dt00016d","","","0.71073","MoKα","","0.0524","0.0316","","","0.0738","0.0838","","","","","","1.033","","","","has coordinates,has disorder","273374","2022-03-04","22:15:30",""
"7709370","11.25","0.0008","17.6853","0.0011","21.044","0.0015","90","","93.665","0.002","90","","4178.3","0.5","189","2","189","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Li2 N6 -","- C44 H56 Li2 N6 -","- C176 H224 Li8 N24 -","4","1","","Li, Yafei; Pan, Huifen; Lu, Yanhua; Luo, Yanshu; Dang, Yan; Wang, Yalan; Xia, Shengwang; Li, Yahong; Xia, Yuanzhi","Lithium and magnesium complexes from the employment of pyridyl-pendanted unsymmetrical β-diketiminates: syntheses and utilization as catalysts for the hydroboration of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT03235F","","","0.71073","MoKα","","0.113","0.0588","","","0.1481","0.1686","","","","","","1.098","","","","has coordinates","272262","2022-01-27","00:00:16",""
"7709371","17.8797","0.0011","21.1458","0.0013","24.358","0.0015","90","","96.658","0.002","90","","9147.2","1","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H63 Mg N6 -","- C49 H63 Mg N6 -","- C392 H504 Mg8 N48 -","8","1","","Li, Yafei; Pan, Huifen; Lu, Yanhua; Luo, Yanshu; Dang, Yan; Wang, Yalan; Xia, Shengwang; Li, Yahong; Xia, Yuanzhi","Lithium and magnesium complexes from the employment of pyridyl-pendanted unsymmetrical β-diketiminates: syntheses and utilization as catalysts for the hydroboration of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT03235F","","","0.71073","MoKα","","0.1147","0.0597","","","0.1332","0.1588","","","","","","1.013","","","","has coordinates","272262","2022-01-27","00:00:17",""
"7709372","90.135","0.002","4.85721","0.0001","7.52779","0.00016","90","","91.524","0.003","90","","3294.54","0.12","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mercury hexadecanoate","Mercury palmitate","","- C32 H62 Hg O4 -","- C32 H62 Hg O4 -","- C128 H248 Hg4 O16 -","4","0.5","","Barannikov, Ruslan; Kočí, Eva; Bezdička, Petr; Kobera, Libor; Mahun, Andrii; Rohlíček, Jan; Plocek, Jiri; Švarcová, Silvie","Long-chain mercury carboxylates relevant to saponification in oil and tempera paintings: XRPD and ssNMR complementary study of the crystal structures","Dalton Transactions","2022","","","","","10.1039/D1DT04160F","powder diffraction","x-ray","1.54187","CuKα","","0.0282","0.0276","","0.0346","0.0344","","","","2.08","","","","","","","has coordinates","272263","2022-01-27","00:01:09",""
"7709373","100.294","0.002","4.86437","0.00009","7.51745","0.00013","90","","91.368","0.002","90","","3666.47","0.12","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mercury ocadecanoate","Mercury stearate","","- C36 H70 Hg O4 -","- C36 H70 Hg O4 -","- C144 H280 Hg4 O16 -","4","0.5","","Barannikov, Ruslan; Kočí, Eva; Bezdička, Petr; Kobera, Libor; Mahun, Andrii; Rohlíček, Jan; Plocek, Jiri; Švarcová, Silvie","Long-chain mercury carboxylates relevant to saponification in oil and tempera paintings: XRPD and ssNMR complementary study of the crystal structures","Dalton Transactions","2022","","","","","10.1039/D1DT04160F","powder diffraction","x-ray","1.54187","CuKα","","0.0297","0.0288","","0.0369","0.0365","","","","2.28","","","","","","","has coordinates","272263","2022-01-27","00:01:10",""
"7709374","10.457","0.0004","12.0687","0.0006","14.0081","0.0007","94.967","0.004","103.974","0.004","111.457","0.004","1566.41","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H44 Eu2 F6 N4 O12 S2 -","- C68 H44 Eu2 F6 N4 O12 S2 -","- C68 H44 Eu2 F6 N4 O12 S2 -","1","0.5","","Brito-Santos, Gabriela; Hernández-Rodríguez, Cecilio; Gil-Hernández, Beatriz; González-Díaz, Benjamín; Martín, Inocencio R; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Highly luminescent mixed-ligand bimetallic lanthanoid(III) complexes for photovoltaic applications.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3146","3158","10.1039/d1dt04248c","","","1.54184","CuKα","","0.0487","0.0433","","","0.1072","0.1128","","","","","","1.003","","","","has coordinates,has disorder","273372","2022-03-04","22:14:47",""
"7709375","19.0105","0.0007","15.2571","0.0005","15.5984","0.0005","90","","98.914","0.001","90","","4469.6","0.3","200.01","","200.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl Cu N3 -","- C23 H30 Cl Cu N3 -","- C184 H240 Cl8 Cu8 N24 -","8","2","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.0383","0.0284","","","0.0673","0.0738","","","","","","1.064","","","","has coordinates,has disorder","272326","2022-01-28","23:50:43",""
"7709376","11.2503","0.0011","15.5506","0.0014","11.55","0.0009","90","","95.735","0.002","90","","2010.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl Cu N3 -","- C21 H26 Cl Cu N3 -","- C84 H104 Cl4 Cu4 N12 -","4","1","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.0565","0.0353","","","0.074","0.086","","","","","","1.067","","","","has coordinates","272326","2022-01-28","23:50:46",""
"7709377","16.368","0.003","9.646","0.002","15.503","0.003","90","","104.644","0.006","90","","2368.2","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl Cu N3 -","- C24 H32 Cl Cu N3 -","- C96 H128 Cl4 Cu4 N12 -","4","1","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.1004","0.0641","","","0.0946","0.1048","","","","","","1.067","","","","has coordinates","272326","2022-01-28","23:50:46",""
"7709378","14.978","0.0008","15.4832","0.0007","16.1862","0.0008","90","","90","","90","","3753.7","0.3","199.99","","199.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13.33 H16 Cl0.67 Cu0.67 N2 -","- C13.3333 H16 Cl0.666667 Cu0.666667 N2 -","- C160 H192 Cl8 Cu8 N24 -","12","1.5","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.0346","0.0274","","","0.0708","0.0793","","","","","","1.104","","","","has coordinates","272326","2022-01-28","23:50:46",""
"7709379","33.0788","0.001","10.1901","0.0003","15.8411","0.0005","90","","99.235","0.001","90","","5270.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl2 Cu N4 O2 -","- C24 H32 Cl2 Cu N4 O2 -","- C192 H256 Cl16 Cu8 N32 O16 -","8","2","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.0651","0.048","","","0.1254","0.1363","","","","","","1.046","","","","has coordinates,has disorder","272326","2022-01-28","23:50:46",""
"7709380","10.868","0.0014","13.7058","0.0015","15.7502","0.0019","90.405","0.014","100.814","0.015","109.515","0.014","2165.9","0.5","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H29 Cu N3 O4 -","- C23 H29 Cu N3 O4 -","- C92 H116 Cu4 N12 O16 -","4","2","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Wernsdorfer, Wolfgang","Structural determinations and magnetic properties of a “chiral at metal” complex and its resulting [Cu–Ln]2 compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04249A","","","0.71073","MoKα","","0.1013","0.0725","","","0.1887","0.2174","","","","","","0.968","","","","has coordinates","272327","2022-01-28","23:51:57",""
"7709381","11.1322","0.0003","7.6035","0.0002","13.5075","0.0004","90","","104.642","0.002","90","","1106.19","0.05","180","2","180","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C23 H31 Cu N3 O4 -","- C23 H31 Cu N3 O4 -","- C46 H62 Cu2 N6 O8 -","2","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Wernsdorfer, Wolfgang","Structural determinations and magnetic properties of a “chiral at metal” complex and its resulting [Cu–Ln]2 compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04249A","","","0.71073","MoKα","","0.0448","0.0363","","","0.0644","0.067","","","","","","1.023","","","","has coordinates","272327","2022-01-28","23:51:58",""
"7709382","11.762","0.005","13.282","0.005","14.143","0.005","110.869","0.005","94.722","0.005","93.723","0.005","2046.9","1.4","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C66 H58 Cu2 F24 N8 O18 Tb2 -","- C66 H58 Cu2 F24 N8 O18 Tb2 -","- C66 H58 Cu2 F24 N8 O18 Tb2 -","1","0.5","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Wernsdorfer, Wolfgang","Structural determinations and magnetic properties of a “chiral at metal” complex and its resulting [Cu–Ln]2 compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04249A","","","0.71073","MoKα","","0.0909","0.0827","","","0.2325","0.2421","","","","","","1.04","","","","has coordinates,has disorder","272327","2022-01-28","23:51:58",""
"7709383","32.1119","0.0008","13.6748","0.0003","17.827","0.0004","90","","91.428","0.001","90","","7825.8","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 Cu2 F24 Gd2 N8 O18 -","- C66 H62 Cu2 F24 Gd2 N8 O18 -","- C264 H248 Cu8 F96 Gd8 N32 O72 -","4","0.5","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Wernsdorfer, Wolfgang","Structural determinations and magnetic properties of a “chiral at metal” complex and its resulting [Cu–Ln]2 compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04249A","","","0.71073","MoKα","","0.0268","0.0268","","","0.0278","0.0278","","","","","","1.0888","","","","has coordinates","272327","2022-01-28","23:51:59",""
"7709384","17.662","0.008","5.3362","0.003","14.541","0.01","90","","125.056","0.012","90","","1121.8","1.1","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","- B8 Cu4 O64 S16 -","4","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","273361","2022-03-04","22:11:30",""
"7709385","5.2917","0.0003","7.3594","0.0003","8.035","0.0005","73.478","0.003","71.05","0.002","86.133","0.002","283.63","0.03","","","","","","","","","","","","4","P -1","-P 1","2","Cupperborosulfate","CuB2S4O16","","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","1","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709386","4.753","0.0002","8.5325","0.0004","7.3719","0.0003","90","","100.063","0.001","90","","294.37","0.02","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Copper(II) Hydrogen Sulfate","","","- Cu H2 O8 S2 -","- Cu H2 O8 S2 -","- Cu2 H4 O16 S4 -","2","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","0.71073","MoKα","","0.0195","0.018","","","0.0511","0.0515","","","","","","1.172","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709387","5.26356","0.00015","7.1449","0.0002","7.9352","0.0002","73.6982","0.0016","70.7367","0.0018","86.677","0.002","270.192","0.013","300","2","300","2","","","","","","","","4","P -1","-P 1","2","alpha-Cupperborosulfate","alpha-Copper(II) Borosulfate","","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","1","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0052","1.99","","","","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709388","7.72629","0.00012","8.13137","0.00012","9.06641","0.0001","90","","111.132","0.0007","90","","531.295","0.013","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","beta-Cupperborosulfate","beta-Copper(II) Borosulfate","","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","- B4 Cu2 O32 S8 -","2","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0042","1.82","","","","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709389","6.6341","0.0004","8.7302","0.0005","9.0555","0.0008","90","","104.763","0.003","90","","507.15","0.06","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Cupperdisulfate","Copper(II) Disulfate","","- Cu O7 S2 -","- Cu O7 S2 -","- Cu4 O28 S8 -","4","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","0.71073","MoKα","","0.021","0.0173","","","0.0484","0.0494","","","","","","1.076","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709390","7.712","0.003","8.149","0.003","9.092","0.003","90","","111.22","0.011","90","","532.6","0.3","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","beta-Cupperborosulfate","beta-Copper(II) Borosulfate","","- B2 Cu O16 S4 -","- B2 Cu O16 S4 -","- B4 Cu2 O32 S8 -","2","0.5","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","0.71073","MoKα","","0.0229","0.0199","","","0.0525","0.0535","","","","","","1.085","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709391","4.7988","0.0008","7.8567","0.0013","8.0566","0.0014","77.856","0.01","87.016","0.01","89.821","0.01","296.55","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Copper(II) Hydrogen Sulfate","","","- Cu H2 O8 S2 -","- Cu H2 O8 S2 -","- Cu2 H4 O16 S4 -","2","1","","Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A","Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3104","3115","10.1039/d1dt04090a","","","0.71073","MoKα","","0.0536","0.0485","","","0.1287","0.132","","","","","","1.063","","","","has coordinates","273361","2022-03-04","22:11:31",""
"7709392","45.953","0.003","6.8308","0.0004","18.9183","0.0012","90","","111.559","0.003","90","","5522.9","0.6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H52 N8 O10 Zn2 -","- C56 H38 N6 O8 Zn2 -","- C224 H152 N24 O32 Zn8 -","4","0.5","","Zhao, Shu-Man; Qiu, Zhao-Feng; Xu, Zou-Hong; huang, ziqing; Zhao, Yue; Sun, Wei-Yin","Fluorescent Zn(II) frameworks with multicarboxylate and pyridyl N-donor ligands for sensing specific anions and organic molecules","Dalton Transactions","2022","","","","","10.1039/D1DT04052A","","x-ray","1.34139","GaKα","","0.0758","0.0487","","","0.1253","0.1404","","","","","","1.074","","","","has coordinates,has disorder","272349","2022-01-29","23:44:57",""
"7709393","11.3152","0.0013","12.5444","0.0014","13.8181","0.0015","90.25","0.004","111.679","0.004","112.028","0.004","1666.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N4 O7 Zn -","- C37 H28 N4 O7 Zn -","- C74 H56 N8 O14 Zn2 -","2","1","","Zhao, Shu-Man; Qiu, Zhao-Feng; Xu, Zou-Hong; huang, ziqing; Zhao, Yue; Sun, Wei-Yin","Fluorescent Zn(II) frameworks with multicarboxylate and pyridyl N-donor ligands for sensing specific anions and organic molecules","Dalton Transactions","2022","","","","","10.1039/D1DT04052A","","x-ray","0.71073","MoKα","","0.0791","0.0657","","","0.1703","0.1782","","","","","","1.119","","","","has coordinates,has disorder","272349","2022-01-29","23:44:58",""
"7709394","14.5462","0.0009","23.5999","0.0016","15.7122","0.001","90","","105.621","0.002","90","","5194.6","0.6","193","2","193","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 N5 O16 Zn2 -","- C44 H29 N3 O10 Zn2 -","- C176 H116 N12 O40 Zn8 -","4","1","","Zhao, Shu-Man; Qiu, Zhao-Feng; Xu, Zou-Hong; huang, ziqing; Zhao, Yue; Sun, Wei-Yin","Fluorescent Zn(II) frameworks with multicarboxylate and pyridyl N-donor ligands for sensing specific anions and organic molecules","Dalton Transactions","2022","","","","","10.1039/D1DT04052A","","x-ray","1.34139","GaKα","","0.097","0.0798","","","0.2426","0.2639","","","","","","1.082","","","","has coordinates,has disorder","272349","2022-01-29","23:44:58",""
"7709395","13.0515","0.0008","15.3256","0.001","7.9289","0.0005","90","","96.283","0.002","90","","1576.43","0.17","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Cs3 O16 P4 -","- B3 Cs3 O16 P4 -","- B12 Cs12 O64 P16 -","4","1","","Zhang, Ruonan; Guo, Siru; Wang, Xuping; Yang, Rong; Chen, Zhen; Zhang, Wenyao; Zhang, Fangfang; Guo, Zhiyong; Han, Shujuan; Yang, Zhihua","Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges","Dalton Transactions","2022","","","","","10.1039/D1DT04266A","","","0.71073","MoKα","","0.0493","0.042","","","0.084","0.0867","","","","","","1.104","","","","has coordinates","272361","2022-01-31","23:54:49",""
"7709396","7.3447","0.0006","10.3803","0.0008","12.3628","0.0009","90","","94.699","0.003","90","","939.37","0.13","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 F4 O5 P Rb3 -","- B2 F4 O5 P Rb3 -","- B8 F16 O20 P4 Rb12 -","4","1","","Zhang, Ruonan; Guo, Siru; Wang, Xuping; Yang, Rong; Chen, Zhen; Zhang, Wenyao; Zhang, Fangfang; Guo, Zhiyong; Han, Shujuan; Yang, Zhihua","Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges","Dalton Transactions","2022","","","","","10.1039/D1DT04266A","","x-ray","0.71073","MoKα","","0.0451","0.0331","","","0.0703","0.076","","","","","","1.039","","","","has coordinates","272361","2022-01-31","23:54:51",""
"7709397","7.3237","0.0004","25.6466","0.0014","7.6796","0.0004","90","","119.951","0.004","90","","1249.81","0.13","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B3 H8 Li N2 O16 P4 -","- B3 H8 Li N2 O16 P4 -","- B12 H32 Li4 N8 O64 P16 -","4","1","","Zhang, Ruonan; Guo, Siru; Wang, Xuping; Yang, Rong; Chen, Zhen; Zhang, Wenyao; Zhang, Fangfang; Guo, Zhiyong; Han, Shujuan; Yang, Zhihua","Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges","Dalton Transactions","2022","","","","","10.1039/D1DT04266A","","","0.71073","MoKα","","0.0592","0.0384","","","0.0868","0.0946","","","","","","1.034","","","","has coordinates","272361","2022-01-31","23:54:51",""
"7709398","13.1574","0.0007","12.3117","0.0006","7.0252","0.0004","90","","90.351","0.002","90","","1137.99","0.1","302","","302","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B2 F2 K4 O9 P2 -","- B2 F2 K4 O9 P2 -","- B8 F8 K16 O36 P8 -","4","1","","Zhang, Ruonan; Guo, Siru; Wang, Xuping; Yang, Rong; Chen, Zhen; Zhang, Wenyao; Zhang, Fangfang; Guo, Zhiyong; Han, Shujuan; Yang, Zhihua","Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges","Dalton Transactions","2022","","","","","10.1039/D1DT04266A","","","0.71073","MoKα","","0.0704","0.0542","","","0.1588","0.1724","","","","","","1.048","","","","has coordinates","272361","2022-01-31","23:54:51",""
"7709399","11.9129","0.0008","12.1468","0.0008","11.4786","0.0008","90","","95.224","0.003","90","","1654.1","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","1","","Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B.","Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways","Dalton Transactions","2022","","","","","10.1039/D1DT04325K","","","0.71073","MoKα","","0.0496","0.0384","","","0.111","0.1188","","","","","","1.092","","","","has coordinates","272404","2022-02-01","23:56:21",""
"7709400","12.4392","0.0004","27.9531","0.0009","23.979","0.0008","90","","91.305","0.001","90","","8335.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H78 Cu4 I4 N18 -","- C88 H78 Cu4 I4 N18 -","- C352 H312 Cu16 I16 N72 -","4","1","","Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B.","Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways","Dalton Transactions","2022","","","","","10.1039/D1DT04325K","","","0.71073","MoKα","","0.0475","0.0319","","","0.0723","0.0766","","","","","","1.04","","","","has coordinates","272404","2022-02-01","23:56:22",""
"7709401","16.4327","0.0003","18.1156","0.0004","14.0323","0.0003","90","","120.7","","90","","3591.82","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu I N8 -","- C42 H36 Cu I N8 -","- C168 H144 Cu4 I4 N32 -","4","0.5","","Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B.","Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways","Dalton Transactions","2022","","","","","10.1039/D1DT04325K","","","0.71073","MoKα","","0.0214","0.0201","","","0.0537","0.0543","","","","","","1.058","","","","has coordinates","272404","2022-02-01","23:56:22",""
"7709402","14.2146","0.0002","18.7121","0.0002","15.2367","0.0003","90","","113.076","0.002","90","","3728.46","0.11","123","0.1","123","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 Cu F6 N8 P -","- C42 H36 Cu F6 N8 P -","- C168 H144 Cu4 F24 N32 P4 -","4","0.5","","Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B.","Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways","Dalton Transactions","2022","","","","","10.1039/D1DT04325K","","x-ray","1.54184","CuKα","","0.0313","0.0296","","","0.08","0.0815","","","","","","1.054","","","","has coordinates","272404","2022-02-01","23:56:23",""
"7709403","15.7127","0.0005","13.8541","0.0003","24.4276","0.0004","90","","101.591","0.005","90","","5209.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H76 N6 Si8 Sn2 -","- C32 H76 N6 Si8 Sn2 -","- C128 H304 N24 Si32 Sn8 -","4","0.5","","Chlupatý, Tomáš; Brichová, Kristýna; Samsonov, Maksim A.; R°užičková, Zdeňka; R°užička, Aleš","Reversible addition of tin(II) amides to nitriles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1879","1887","10.1039/d1dt04060j","","","0.71073","MoKα","","0.049","0.0342","","","0.0735","0.083","","","","","","1.044","","","","has coordinates,has disorder","272405","2022-02-01","23:57:10",""
"7709404","10.162","0.0004","11.219","0.0006","14.3991","0.001","68.279","0.005","73.507","0.004","80.199","0.004","1458.38","0.15","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N4 Si4 Sn -","- C20 H40 N4 Si4 Sn -","- C40 H80 N8 Si8 Sn2 -","2","1","","Chlupatý, Tomáš; Brichová, Kristýna; Samsonov, Maksim A.; R°užičková, Zdeňka; R°užička, Aleš","Reversible addition of tin(II) amides to nitriles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1879","1887","10.1039/d1dt04060j","","","0.71073","MoKα","","0.0521","0.0423","","","0.0949","0.0992","","","","","","1.233","","","","has coordinates","272405","2022-02-01","23:57:10",""
"7709405","19.1358","0.0007","15.9715","0.0006","24.4234","0.0008","90","","109.955","0.002","90","","7016.3","0.4","100","","100","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C34 H32 B Cl2 F2 N6 O4 Pt -","- C34 H32 B Cl2 F2 N6 O4 Pt -","- C272 H256 B8 Cl16 F16 N48 O32 Pt8 -","8","2","","Chakravarty, Akhil R.; Bera, Arpan; Gautam, Srishti; Raza, Md Kausar; Pal, Apurba Kumar; Kondaiah, Paturu","BODIPY-dipicolylamine complexes of platinum(II): X-ray structure, cellular imaging and organelles specific near-IR light type-II PDT","Dalton Transactions","2022","","","","","10.1039/D1DT03200C","","","0.71073","MoKα","","0.0692","0.0436","","","0.1049","0.1217","","","","","","0.963","","","","has coordinates","272406","2022-02-01","23:58:18",""
"7709406","11.0233","0.0004","17.3526","0.0006","16.4133","0.0005","90","","99.3076","0.0009","90","","3098.25","0.18","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C140 H138 Cl4 N12 O9 Ru4 S4 -","- C140 H138 Cl4 N12 O9 Ru4 S4 -","- C140 H138 Cl4 N12 O9 Ru4 S4 -","1","0.5","","Mukhopadhyay, Suman; Porwal, Pragti; Kundu, Bidyut Kumar; Upadhyay, Shrish Nath; Sinha, Nilima; Ganguly, Rakesh; Grabchev, Ivo; Pakhira, Srimanta","Pyrene based fluorescent Ru(II)-arene complexes towards significant biological applications: catalytic potential, DNA/protein binding, two photon cell imaging and in vitro cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D1DT04093F","","x-ray","0.71073","MoKα","","0.0289","0.0277","","","0.0673","0.0681","","","","","","1.027","","","","has coordinates,has disorder","272434","2022-02-02","23:52:14",""
"7709407","24.1813","0.0016","13.2549","0.0009","14.7463","0.001","90","","100.776","0.0016","90","","4643.1","0.5","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1aprc","","","- C28 H19 Cl N2 O Ru S -","- C28 H19 Cl N2 O Ru S -","- C224 H152 Cl8 N16 O8 Ru8 S8 -","8","1","","Mukhopadhyay, Suman; Porwal, Pragti; Kundu, Bidyut Kumar; Upadhyay, Shrish Nath; Sinha, Nilima; Ganguly, Rakesh; Grabchev, Ivo; Pakhira, Srimanta","Pyrene based fluorescent Ru(II)-arene complexes towards significant biological applications: catalytic potential, DNA/protein binding, two photon cell imaging and in vitro cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D1DT04093F","","x-ray","0.71073","MoKα","","0.0341","0.0293","","","0.0742","0.0789","","","","","","1.068","","","","has coordinates,has disorder","272434","2022-02-02","23:52:15",""
"7709408","4.3015","0.0001","4.3015","0.0001","4.9827","0.0002","90","","90","","90","","92.194","0.005","297","","297","","","","","","","","","2","I 4/m c m","-I 4 2c","140","VN2","","","- N2 V -","- N2 V -","- N8 V4 -","4","0.125","","Asano, Shuto; Niwa, Ken; Sasaki, Takuya; Gaida, Nico Alexander; Hasegawa, Masashi","High pressure synthesis and the valence state of vanadium ions for the novel transition metal pernitride, CuAl2-type VN2","Dalton Transactions","2022","","","","","10.1039/D1DT04310B","powder diffraction","","0.74957","Synchrotron","","0.00315","","","","","","0.00161","0.00561","0.357","","","","","","","has coordinates","272435","2022-02-02","23:52:38",""
"7709409","12.704","0.002","13.2508","0.0019","21.871","0.004","85.942","0.007","87.626","0.007","61.386","0.004","3223.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Co2 La N7 O21 -","- C60 H56 Co2 La N7 O21 -","- C120 H112 Co4 La2 N14 O42 -","2","1","","Ahmed, Naushad; Uddin Ansari, Kamal","Experimental and theoretical insights into Co-Ln magnetic exchange and the rare slow-magnetic relaxation behavior of [CoII2Pr]<sup>2+</sup> in a series of linear [CoII2Ln]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","4122","4134","10.1039/d1dt03573h","","","0.71075","MoKα","","0.0547","0.0473","","","0.0989","0.1034","","","","","","1.058","","","","has coordinates","274979","2022-05-05","20:35:23",""
"7709410","12.691","0.003","13.2","0.003","21.832","0.005","86.095","0.01","87.771","0.009","61.324","0.005","3201.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 Ce Co2 N7 O23.25 -","- C61.9999 H56 Ce Co2 N7 O23.2499 -","- C124 H112 Ce2 Co4 N14 O46.4998 -","2","1","","Ahmed, Naushad; Uddin Ansari, Kamal","Experimental and theoretical insights into Co-Ln magnetic exchange and the rare slow-magnetic relaxation behavior of [CoII2Pr]<sup>2+</sup> in a series of linear [CoII2Ln]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","4122","4134","10.1039/d1dt03573h","","","0.7107","MoKα","","0.0757","0.0617","","","0.1458","0.159","","","","","","1.076","","","","has coordinates,has disorder","274979","2022-05-05","20:35:24",""
"7709411","12.746","0.003","13.25","0.003","21.758","0.006","92.052","0.011","92.012","0.001","118.729","0.016","3214.4","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Co2 N7 O21 Pr -","- C60 H56 Co2 N7 O21 Pr -","- C120 H112 Co4 N14 O42 Pr2 -","2","1","","Ahmed, Naushad; Uddin Ansari, Kamal","Experimental and theoretical insights into Co-Ln magnetic exchange and the rare slow-magnetic relaxation behavior of [CoII2Pr]<sup>2+</sup> in a series of linear [CoII2Ln]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","4122","4134","10.1039/d1dt03573h","","","0.71075","MoKα","","0.0653","0.0571","","","0.1142","0.1205","","","","","","1.086","","","","has coordinates","274979","2022-05-05","20:35:24",""
"7709412","9.8591","0.0004","8.6238","0.0004","9.3131","0.0003","90","","90","","90","","791.83","0.06","296","","296","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Al2 B3 F3 O8 Pb2 -","- Al2 B3 F3 O8 Pb2 -","- Al8 B12 F12 O32 Pb8 -","4","0.5","","Jiang, Bao; Shu, Shan; Yang, Zhihua; Zhang, Fangfang; Zhang, Min; Pan, Shilie","Pb2Al2B3O8F3: Structure and Properties of a New Fluoroaluminoborate with Non-traditional Chain-like B3O8 Group","Dalton Transactions","2022","","","","","10.1039/D1DT04312A","","","0.71073","MoKα","","0.0256","0.0197","","","0.0408","0.0429","","","","","","1.026","","","","has coordinates,has disorder","272437","2022-02-02","23:53:55",""
"7709413","10.9811","0.0003","27.1423","0.0008","27.9453","0.0005","90","","93.546","0.002","90","","8313.2","0.4","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 F9 N4 O6 Tb -","- C44 H26 F9 N4 O6 Tb -","- C352 H208 F72 N32 O48 Tb8 -","8","2","","Zhang, Cui; Ma, Xiufang; Cen, Peipei; Yang, Huifang; He, Zixin; Guo, Yan; Tian, Danian; Liu, Xiangyu","Dual-sensitized Eu(III)/Tb(III) complexes exhibiting tunable luminescence emission and their application in cellular-imaging.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3180","3187","10.1039/d2dt00051b","","x-ray","1.54184","CuKα","","0.105","0.0657","","","0.1532","0.1734","","","","","","1.036","","","","has coordinates","273362","2022-03-04","22:11:55",""
"7709414","11.0774","0.001","27.429","0.002","28.137","0.003","90","","93.525","0.003","90","","8533","1.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 Eu F9 N4 O6 -","- C44 H26 Eu F9 N4 O6 -","- C352 H208 Eu8 F72 N32 O48 -","8","2","","Zhang, Cui; Ma, Xiufang; Cen, Peipei; Yang, Huifang; He, Zixin; Guo, Yan; Tian, Danian; Liu, Xiangyu","Dual-sensitized Eu(III)/Tb(III) complexes exhibiting tunable luminescence emission and their application in cellular-imaging.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3180","3187","10.1039/d2dt00051b","","","0.71073","MoKα","","0.0696","0.0494","","","0.1081","0.1167","","","","","","1.095","","","","has coordinates,has disorder","273362","2022-03-04","22:11:58",""
"7709415","10.5675","0.0006","16.9702","0.0011","18.6599","0.001","100.746","0.004","90.409","0.003","97.893","0.004","3254.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","AS-241","","- C33 H36 N2 O5 P2 W -","- C33 H36 N2 O5 P2 W -","- C132 H144 N8 O20 P8 W4 -","4","2","","Schmer, Alexander; García Alcaraz, Antonio; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of azadiphosphiridine complexes. Theoretical studies on ring formation, the P-to-P' metal shift and the resulting nitrogen geometry.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3275","3279","10.1039/d1dt04252a","","","0.71073","MoKα","","0.0584","0.0352","","","0.0668","0.0749","","","","","","1.027","","","","has coordinates","273373","2022-03-04","22:15:01",""
"7709416","9.2415","0.0005","13.4649","0.0008","14.4358","0.0008","86.11","0.004","76.077","0.003","72.024","0.004","1658.4","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","AS-226","","- C70 H64 N2 O11 P4 W2 -","- C70 H64 N2 O11 P4 W2 -","- C70 H64 N2 O11 P4 W2 -","1","0.5","","Schmer, Alexander; García Alcaraz, Antonio; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","Synthesis of azadiphosphiridine complexes. Theoretical studies on ring formation, the P-to-P' metal shift and the resulting nitrogen geometry.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3275","3279","10.1039/d1dt04252a","","","0.71073","MoKα","","0.0357","0.026","","","0.0528","0.0569","","","","","","1.022","","","","has coordinates,has disorder","273373","2022-03-04","22:15:01",""
"7709417","9.1855","0.0004","12.3223","0.0006","22.3693","0.0009","84.413","0.002","79.487","0.002","68.822","0.001","2319.91","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Au2 O1.45 P2 S2 -","- C54 H48 Au2 O1.45 P2 S2 -","- C108 H96 Au4 O2.9 P4 S4 -","2","1","","Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.","Hetero- and homoleptic binuclear gold(I)-thiolate and -halide complexes - ligand exchange kinetics and supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3081","3095","10.1039/d1dt04245a","","","0.71073","MoKα","","0.0335","0.0229","","","0.0447","0.0474","","","","","","1.03","","","","has coordinates,has disorder","273368","2022-03-04","22:13:46",""
"7709418","10.3625","0.0015","19.214","0.003","20.68","0.003","90","","92.121","0.003","90","","4114.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H35.5 Au2 Cl O0.5 P2 S -","- C45.5 H35.5 Au2 Cl O0.5 P2 S -","- C182 H142 Au8 Cl4 O2 P8 S4 -","4","1","","Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.","Hetero- and homoleptic binuclear gold(I)-thiolate and -halide complexes - ligand exchange kinetics and supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3081","3095","10.1039/d1dt04245a","","","0.71073","MoKα","","0.0858","0.0554","","","0.1136","0.121","","","","","","1.031","","","","has coordinates,has disorder","273368","2022-03-04","22:13:46",""
"7709419","10.3902","0.0004","19.1329","0.0007","21.1022","0.0009","90","","92.242","0.002","90","","4191.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.69 H37.91 Au2 Br1.22 O P2 S0.78 -","- C45.692 H37.91 Au2 Br1.218 O P2 S0.782 -","- C182.768 H151.64 Au8 Br4.872 O4 P8 S3.128 -","4","1","","Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.","Hetero- and homoleptic binuclear gold(I)-thiolate and -halide complexes - ligand exchange kinetics and supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3081","3095","10.1039/d1dt04245a","","","0.71073","MoKα","","0.0465","0.0334","","","0.0763","0.0811","","","","","","1.011","","","","has coordinates,has disorder","273368","2022-03-04","22:13:46",""
"7709420","15.3721","0.0011","17.8193","0.0012","17.4639","0.0012","90","","91.385","0.003","90","","4782.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 Au2 Cl2 O4 P2 S2 -","- C53 H40 Au2 Cl2 O4 P2 S2 -","- C212 H160 Au8 Cl8 O16 P8 S8 -","4","1","","Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.","Hetero- and homoleptic binuclear gold(I)-thiolate and -halide complexes - ligand exchange kinetics and supramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3081","3095","10.1039/d1dt04245a","","","0.71073","MoKα","","0.0602","0.046","","","0.1008","0.1062","","","","","","1.113","","","","has coordinates,has disorder","273368","2022-03-04","22:13:46",""
"7709421","13.39","0.002","22.927","0.004","16.646","0.003","90","","99.647","0.005","90","","5037.9","1.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Cl N3 P2 Ru -","- C56 H42 Cl N3 P2 Ru -","- C224 H168 Cl4 N12 P8 Ru4 -","4","1","","Ganguli, Kasturi; Belkova, Natalia; Kundu, Sabuj","Cyclometalated (NNC)Ru(II) complex catalyzed β-methylation of alcohols using methanol","Dalton Transactions","2022","","","","","10.1039/D1DT03967A","","","0.71073","MoKα","","0.1289","0.0674","","","0.1652","0.2058","","","","","","1.027","","","","has coordinates","272512","2022-02-04","00:02:13",""
"7709422","13.9682","0.0012","22.876","0.002","16.6453","0.0015","90","","101.007","0.002","90","","5220.9","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H44 Cl N3 O P2 Ru -","- C57 H44 Cl N3 O P2 Ru -","- C228 H176 Cl4 N12 O4 P8 Ru4 -","4","1","","Ganguli, Kasturi; Belkova, Natalia; Kundu, Sabuj","Cyclometalated (NNC)Ru(II) complex catalyzed β-methylation of alcohols using methanol","Dalton Transactions","2022","","","","","10.1039/D1DT03967A","","","0.71073","MoKα","","0.0812","0.0608","","","0.1639","0.1845","","","","","","1.06","","","","has coordinates","272512","2022-02-04","00:02:13",""
"7709423","8.7045","0.0003","12.6193","0.0005","16.8514","0.0006","108.029","0.002","91.507","0.002","100.848","0.002","1721.6","0.11","100.02","","100.02","","","","","","","","","7","P 1","P 1","1","","(1,8-bisphenyl-4,5,11,12,17,18-hexaethyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C31 H42 B2 Cl2 N6 Ni O6 -","- C31 H42 B2 Cl2 N6 Ni O6 -","- C62 H84 B4 Cl4 N12 Ni2 O12 -","2","2","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.055","0.0407","","","0.0908","0.097","","","","","","1.015","","","","has coordinates","273360","2022-03-04","22:11:12",""
"7709424","8.1747","0.001","12.442","0.002","13.2849","0.0018","96.637","0.007","103.105","0.009","108.64","0.007","1220.8","0.3","110.22","","110.22","","","","","","","","","7","P -1","-P 1","2","","(1,8-bis(phenyl)-4,5,11,12,17,18-hexachloro-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C18 H10 B2 Cl6 N6 Ni O6 -","- C18 H10 B2 Cl6 N6 Ni O6 -","- C36 H20 B4 Cl12 N12 Ni2 O12 -","2","1","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.0649","0.0428","","","0.0957","0.1043","","","","","","1.044","","","","has coordinates","273360","2022-03-04","22:11:13",""
"7709425","26.8983","0.0012","8.7226","0.0004","17.7343","0.0007","90","","117.8","0.002","90","","3680.6","0.3","100.01","","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ni-Et-OMe","(1,8-bis(3,5-dimethoxyphenyl)-4,5,11,12,17,18-hexaethyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C34 H48 B2 N6 Ni O10 -","- C34 H48 B2 N6 Ni O10 -","- C136 H192 B8 N24 Ni4 O40 -","4","0.5","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.0857","0.0653","","","0.1357","0.1458","","","","","","1.048","","","","has coordinates","273360","2022-03-04","22:11:13",""
"7709426","11.291","0.006","11.251","0.004","15.826","0.006","90","","104.49","0.02","90","","1946.5","1.5","214.44","","214.44","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,8-bis(phenyl)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C18 H16 B2 N6 Ni O6 -","- C18 H16 B2 N6 Ni O6 -","- C72 H64 B8 N24 Ni4 O24 -","4","1","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.0416","0.0305","","","0.081","0.0866","","","","","","1.061","","","","has coordinates","273360","2022-03-04","22:11:13",""
"7709427","11.7082","0.0003","12.2248","0.0003","13.9254","0.0004","67.623","0.001","88.326","0.001","71.729","0.001","1740.9","0.08","104.13","","104.13","","","","","","","","","7","P -1","-P 1","2","","(1,8-bis(pentafluorophenyl)-4,5,11,12,17,18-hexaethyl-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-1,8-diboratabicyclo[6.6.6]icosa-3,5,10,12,16,18-hexaene)-nickel","","- C30 H30 B2 F10 N6 Ni O6 -","- C30 H30 B2 F10 N6 Ni O6 -","- C60 H60 B4 F20 N12 Ni2 O12 -","2","1","","Campanella, Anthony J.; Ozvat, Tyler M.; Zadrozny, Joseph M.","Ligand design of zero-field splitting in trigonal prismatic Ni(II) cage complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3341","3348","10.1039/d1dt02156g","","","0.71073","MoKα","","0.0549","0.0428","","","0.1087","0.1173","","","","","","1.051","","","","has coordinates,has disorder","273360","2022-03-04","22:11:13",""
"7709428","14.2796","0.0002","18.0093","0.0002","28.1639","0.0004","90","","99.631","0.001","90","","7140.7","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H92 Au2 Cl2 N8 -","- C73 H92 Au2 Cl2 N8 -","- C292 H368 Au8 Cl8 N32 -","4","1","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0819","0.0529","","","0.1236","0.1403","","","","","","1.022","","","","has coordinates","272800","2022-02-04","23:52:26",""
"7709429","11.0142","0.0002","13.9263","0.0003","21.1975","0.0005","88.846","0.002","83.837","0.002","86.417","0.002","3226.02","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H65 Au N4 -","- C78 H65 Au N4 -","- C156 H130 Au2 N8 -","2","1","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","","1.54184","CuKα","","0.0628","0.0495","","","0.12","0.1276","","","","","","1.046","","","","has coordinates,has disorder","272800","2022-02-04","23:52:27",""
"7709430","16.8713","0.0002","39.1909","0.0003","11.1387","0.0001","90","","108.456","0.001","90","","6986.12","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","SNEM_EM_111","","- C39 H44 Au N3 S -","- C39 H44 Au N3 S -","- C312 H352 Au8 N24 S8 -","8","2","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0409","0.0288","","","0.0626","0.0677","","","","","","1.007","","","","has coordinates","272800","2022-02-04","23:52:27",""
"7709431","11.07582","0.00015","18.5823","0.0002","28.4054","0.0005","90","","90","","90","","5846.23","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H40 Au N3 S -","- C35 H40 Au N3 S -","- C280 H320 Au8 N24 S8 -","8","1","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0499","0.0384","","","0.098","0.1069","","","","","","1.014","","","","has coordinates","272800","2022-02-04","23:52:28",""
"7709432","20.7008","0.0001","12.4504","0.0001","27.2297","0.0002","90","","90","","90","","7018","0.08","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H35 Au N4 -","- C26 H35 Au N4 -","- C312 H420 Au12 N48 -","12","1.5","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0236","0.0194","","","0.0447","0.0462","","","","","","1.039","","","","has coordinates,has disorder","272800","2022-02-04","23:52:28",""
"7709433","17.7361","0.0001","18.8119","0.0001","25.1981","0.0001","90","","90","","90","","8407.34","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H53 Au N4 -","- C48 H53 Au N4 -","- C384 H424 Au8 N32 -","8","2","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0238","0.022","","","0.0521","0.0529","","","","","","1.031","","","","has coordinates","272800","2022-02-04","23:52:28",""
"7709434","14.7397","0.0007","18.1959","0.0009","22.9425","0.0011","90","","90","","90","","6153.2","0.5","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C38 H50 N2 Ti -","- C38 H50 N2 Ti -","- C304 H400 N16 Ti8 -","8","1","","Fischer, Malte; Roy, Matthew; Hüller, Sascha; Schmidtmann, Marc; Beckhaus, Ruediger","Reaction of a Bis(pentafulvene)titanium Complex with an N-Heterocyclic Olefin: C–H-Activation Leads to Resonance Between a Titanium Vinyl and Titanium Alkylidene Complex","Dalton Transactions","2022","","","","","10.1039/D2DT00014H","","","0.71073","MoKα","","0.0642","0.0497","","","0.1301","0.1417","","","","","","1.028","","","","has coordinates,has disorder","272849","2022-02-08","00:02:31",""
"7709435","13.8395","0.0004","19.0594","0.0006","28.7819","0.0009","90","","99.67","0.002","90","","7484","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H100 N8 Si12 -","- C67 H100 N8 Si12 -","- C268 H400 N32 Si48 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","A strongly twisted SiSi bond with resemblance to a buckled dimer in an unexpected isomer of hexasilabenzene.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3254","3262","10.1039/d2dt00259k","","","0.71073","MoKα","","0.0502","0.0441","","","0.1188","0.1233","","","","","","1.106","","","","has coordinates","273365","2022-03-04","22:12:58",""
"7709436","13.1118","0.0008","14.4194","0.0009","38.051","0.002","90","","96.277","0.004","90","","7151","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H90 I2 N6 Si12 -","- C60 H90 I2 N6 Si12 -","- C240 H360 I8 N24 Si48 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","A strongly twisted SiSi bond with resemblance to a buckled dimer in an unexpected isomer of hexasilabenzene.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3254","3262","10.1039/d2dt00259k","","","0.71073","MoKα","","0.0653","0.0532","","","0.1409","0.1487","","","","","","1.076","","","","has coordinates","273365","2022-03-04","22:12:59",""
"7709437","12.5605","0.0004","24.9675","0.0009","25.2389","0.0009","90","","102.567","0.002","90","","7725.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H103 I N6 Si12 -","- C69 H103 I N6 Si12 -","- C276 H412 I4 N24 Si48 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","A strongly twisted SiSi bond with resemblance to a buckled dimer in an unexpected isomer of hexasilabenzene.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3254","3262","10.1039/d2dt00259k","","","0.71073","MoKα","","0.0498","0.0429","","","0.1112","0.1175","","","","","","1.052","","","","has coordinates","273365","2022-03-04","22:12:59",""
"7709438","11.569","","22.606","","25.508","","90","","102.58","","90","","6510.92","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N6 Si12 -","- C54 H84 N6 Si12 -","- C216 H336 N24 Si48 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","A strongly twisted SiSi bond with resemblance to a buckled dimer in an unexpected isomer of hexasilabenzene.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3254","3262","10.1039/d2dt00259k","","","0.71073","MoKα","","0.0769","0.0552","","","0.1307","0.1418","","","","","","1.083","","","","has coordinates","273365","2022-03-04","22:12:59",""
"7709439","12.6312","0.0004","15.4277","0.0005","20.9348","0.0006","90.314","0.002","90.139","0.002","112.369","0.002","3772.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H99 B N8 Si12 -","- C61 H99 B N8 Si12 -","- C122 H198 B2 N16 Si24 -","2","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","A strongly twisted SiSi bond with resemblance to a buckled dimer in an unexpected isomer of hexasilabenzene.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3254","3262","10.1039/d2dt00259k","","","0.71073","MoKα","","0.0693","0.0559","","","0.1506","0.1598","","","","","","1.029","","","","has coordinates","273365","2022-03-04","22:12:59",""
"7709440","9.4351","0.0003","9.113","0.0003","17.3744","0.0007","90","","105.329","0.001","90","","1440.74","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Uranyl phen","","","- C28 N4 O10 U2 -","- C28 N4 O10 U2 -","- C56 N8 O20 U4 -","2","0.5","","Lu, Huangjie; Zheng, Zhaofa; Qiu, Jie; Qian, Yuan; Wang, Jian-Qiang; Lin, Jian","Unveiling the new function of uranyl molecular clusters as fluorometric sensors for UV and X-ray dosimetry.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3041","3045","10.1039/d1dt04225d","","","0.71073","MoKα","","0.0294","0.0228","","","0.0599","0.0633","","","","","","1.01","","","","has coordinates","273370","2022-03-04","22:14:18",""
"7709441","11.781","0.004","12.086","0.005","18.056","0.007","93.371","0.013","95.937","0.012","104.737","0.012","2463.3","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","Uranyl phen","","","- C74 N12 O25 U6 -","- C74 N12 O25 U6 -","- C74 N12 O25 U6 -","1","0.5","","Lu, Huangjie; Zheng, Zhaofa; Qiu, Jie; Qian, Yuan; Wang, Jian-Qiang; Lin, Jian","Unveiling the new function of uranyl molecular clusters as fluorometric sensors for UV and X-ray dosimetry.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3041","3045","10.1039/d1dt04225d","","","0.71073","MoKα","","0.0454","0.036","","","0.1007","0.1068","","","","","","1.062","","","","has coordinates","273370","2022-03-04","22:14:18",""
"7709442","19.6419","0.0018","19.642","0.01","33.131","0.017","90","","90","","90","","12782","9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5.45 H13.09 In1.82 N1.09 Se3.27 -","- In1.81818 Se3.27273 -","- In80 Se144 -","44","5.5","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.1421","0.0697","","","0.188","0.2265","","","","","","0.987","","","","has coordinates","273364","2022-03-04","22:12:30",""
"7709443","29.4109","0.0011","13.3976","0.0005","26.8483","0.0009","90","","90","","90","","10579.2","0.7","120","2","120","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C240 H576 In48 N48 Se96 -","- In48 Se96 -","- In48 Se96 -","1","0.0625","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.0399","0.03","","","0.1087","0.1254","","","","","","1.183","","","","has coordinates,has disorder","273364","2022-03-04","22:12:31",""
"7709444","10.4695","0.0012","14.4546","0.0015","7.2649","0.0008","90","","101.508","0.004","90","","1077.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H0 In N Se3 -","- C5 In N Se3 -","- C20 In4 N4 Se12 -","4","1","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.1189","0.0919","","","0.2261","0.2482","","","","","","1.055","","","","has coordinates","273364","2022-03-04","22:12:31",""
"7709445","11.9488","0.0015","23.78","0.003","27.236","0.003","90","","100.287","0.004","90","","7614.5","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H336 In28 N36 Se72 -","- In36 Se72 -","- In36 Se72 -","1","0.25","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.0858","0.0577","","","0.1536","0.1761","","","","","","1.059","","","","has coordinates","273364","2022-03-04","22:12:31",""
"7709446","18.597","0.013","13.184","0.009","19.167","0.013","90","","90","","90","","4699","6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H34 Cl Fe N7 O4 -","- C16 H34 Cl Fe N7 O4 -","- C128 H272 Cl8 Fe8 N56 O32 -","8","1","","Golovanov, Ivan; Leonov, Anton; Lesnikov, Vladislav; Pospelov, Evgeny; Frolov, Kirill V.; Korlyukov, Alexander; Nelyubina, Yulia V.; Novikov, Valentin V.; Sukhorukov, Alexey Yurievich","Iron(IV) Complexes with Tetraazaadamantane-based Ligands: Synthesis, Structure, Application in Dioxygen Activation and Labeling of Biomolecules","Dalton Transactions","2022","","","","","10.1039/D1DT04104E","","","0.71073","MoKα","","0.1855","0.0678","","","0.1217","0.1653","","","","","","0.915","","","","has coordinates","272862","2022-02-08","23:55:37",""
"7709447","7.273","0.002","8.766","0.002","9.548","0.003","79.92","0.04","67.77","0.05","69.97","0.04","528.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Ga2 O6 -","- C20 H26 Ga2 O6 -","- C20 H26 Ga2 O6 -","1","0.5","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","","1.54184","CuKα","","0.021","0.0208","","","0.0557","0.0558","","","","","","1.067","","","","has coordinates","272894","2022-02-10","00:00:43",""
"7709448","9.966","0.005","21.841","0.003","21.886","0.003","88.11","0.02","80.2","0.02","77.02","0.03","4574","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Ga Li O7 -","- C22 H28 Ga Li O7 -","- C176 H224 Ga8 Li8 O56 -","8","4","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","","1.54178","CuKα","","0.0988","0.0817","","","0.2215","0.2438","","","","","","1.163","","","","has coordinates","272894","2022-02-10","00:00:44",""
"7709449","15.235","0.004","21.548","0.005","6.698","0.002","90","","90","","90","","2198.8","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H25.5 Ga Li O9.25 -","- C18 H25.5 Ga Li O9.25 -","- C72 H102 Ga4 Li4 O37 -","4","0.5","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","x-ray","0.71073","MoKα","","0.1533","0.0757","","","0.1037","0.1309","","","","","","1.007","","","","has coordinates,has disorder","272894","2022-02-10","00:00:44",""
"7709450","13.171","0.003","13.171","0.003","8.265","0.002","90","","90","","120","","1241.7","0.5","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H27 Al O9 -","- C27 H27 Al O9 -","- C54 H54 Al2 O18 -","2","0.333333","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","x-ray","0.71073","MoKα","","0.0444","0.0366","","","0.0885","0.0951","","","","","","1.096","","","","has coordinates","272894","2022-02-10","00:00:44",""
"7709451","7.28","0.002","12.68","0.003","13.008","0.003","107.2","0.05","90.44","0.05","93.43","0.05","1144.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Al O9 -","- C24 H21 Al O9 -","- C48 H42 Al2 O18 -","2","1","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","x-ray","0.71073","MoKα","","0.147","0.0874","","","0.1958","0.2368","","","","","","1.082","","","","has coordinates,has disorder","272894","2022-02-10","00:00:45",""
"7709452","11.879","0.002","23.291","0.004","17.296","0.003","90","","105.41","0.03","90","","4613.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Al Li3 O18 -","- C48 H42 Al Li3 O18 -","- C192 H168 Al4 Li12 O72 -","4","1","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","","0.71073","MoKα","","0.0686","0.0421","","","0.0802","0.0898","","","","","","1.023","","","","has coordinates","272894","2022-02-10","00:00:45",""
"7709453","12.554","0.002","12.981","0.002","19.25","0.003","99.5","0.02","92.51","0.02","102.89","0.02","3005.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H66 Al Li3 O18 -","- C64.5 H66 Al Li3 O18 -","- C129 H132 Al2 Li6 O36 -","2","1","","Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz","Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials","Dalton Transactions","2022","","","","","10.1039/D1DT03777C","","","1.54184","CuKα","","0.0317","0.0305","","","0.0816","0.0825","","","","","","1.034","","","","has coordinates,has disorder","272894","2022-02-10","00:00:45",""
"7709454","5.7481","0.0005","9.4582","0.0009","11.277","0.0012","90","","90","","90","","613.09","0.1","273","2","273.15","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Bai, Shuo; Yang, Daqing; Zhang, Bingbing; Li, Ling; Wang, Ying","Two Lead Borate-nitrates with Anion-Centered [OPb4] Tetrahedra and Two Types of π-Conjugated Planar Units Showing Large Birefringence","Dalton Transactions","2022","","","","","10.1039/D2DT00183G","","","0.71073","MoKα","","0.0412","0.0327","","","0.0869","0.0918","","","","","","1.048","","","","has coordinates","272904","2022-02-10","23:47:29",""
"7709455","6.8025","0.0007","11.5092","0.0009","8.8989","0.0009","90","","101.704","0.004","90","","682.22","0.11","273","2","273.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B2 F N O11 Pb6 -","- B2 F N O11 Pb6 -","- B4 F2 N2 O22 Pb12 -","2","0.5","","Bai, Shuo; Yang, Daqing; Zhang, Bingbing; Li, Ling; Wang, Ying","Two Lead Borate-nitrates with Anion-Centered [OPb4] Tetrahedra and Two Types of π-Conjugated Planar Units Showing Large Birefringence","Dalton Transactions","2022","","","","","10.1039/D2DT00183G","","","0.71073","MoKα","","0.0286","0.0231","","","0.0553","0.057","","","","","","1.091","","","","has coordinates","272904","2022-02-10","23:47:34",""
"7709456","8.3463","0.0004","9.9319","0.0005","21.1509","0.0013","90","","90","","90","","1753.3","0.16","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AMF-38","","- C13 H19 N2 O5 P W -","- C13 H19 N2 O5 P W -","- C52 H76 N8 O20 P4 W4 -","4","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.0347","0.023","","","0.0314","0.0327","","","","","","0.641","","","","has coordinates","272905","2022-02-10","23:48:58",""
"7709457","12.1269","0.0003","10.9786","0.0002","20.1204","0.0005","90","","102.575","0.002","90","","2614.5","0.11","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","AMF-42","","- C22 H36 N3 O6 P W -","- C22 H36 N3 O6 P W -","- C88 H144 N12 O24 P4 W4 -","4","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.024","0.0185","","","0.038","0.0391","","","","","","0.982","","","","has coordinates","272905","2022-02-10","23:49:00",""
"7709458","7.0371","0.0003","10.1674","0.0004","10.6647","0.0004","99.282","0.003","101.783","0.003","91.016","0.003","736.17","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","PB-213","","- C11 H13 O7 P W -","- C11 H13 O7 P W -","- C22 H26 O14 P2 W2 -","2","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.0156","0.0147","","","0.0347","0.035","","","","","","1.167","","","","has coordinates","272905","2022-02-10","23:49:00",""
"7709459","8.2932","0.0003","10.1104","0.0003","15.3182","0.0005","73.319","0.002","74.659","0.003","71.74","0.003","1146.66","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","PB-211","","- C19 H29 N2 O7 P W -","- C19 H29 N2 O7 P W -","- C38 H58 N4 O14 P2 W2 -","2","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.0197","0.0175","","","0.0418","0.0423","","","","","","1.018","","","","has coordinates","272905","2022-02-10","23:49:01",""
"7709460","6.5169","0.0011","18.469","0.004","12.033","0.002","90","","102.349","0.013","90","","1414.8","0.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PB-208","","- C10 H12 N O6 P W -","- C10 H12 N O6 P W -","- C40 H48 N4 O24 P4 W4 -","4","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.0433","0.0268","","","0.0542","0.0566","","","","","","0.876","","","","has coordinates","272905","2022-02-10","23:49:01",""
"7709461","11.104","0.0002","14.0762","0.0002","15.5766","0.0003","90","","93.904","0.002","90","","2429.01","0.07","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PB-242.EI","","- C20 H30 N O8 P W -","- C20 H30 N O8 P W -","- C80 H120 N4 O32 P4 W4 -","4","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.028","0.0243","","","0.0598","0.0611","","","","","","1.043","","","","has coordinates","272905","2022-02-10","23:49:02",""
"7709462","15.4602","0.0011","9.7669","0.0007","21.9107","0.0015","90","","109.196","0.002","90","","3124.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cl Cu N7 O6 S2 -","- C30 H29 Cl Cu N7 O6 S2 -","- C120 H116 Cl4 Cu4 N28 O24 S8 -","4","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71075","MoKα","K-L~3~","0.0699","0.0439","","","0.1027","0.1133","","","","","","1.025","","","","has coordinates","272906","2022-02-10","23:51:12",""
"7709463","14.5374","0.001","17.6166","0.0011","10.1978","0.0007","90","","107.572","0.001","90","","2489.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl2 N8 Ni O10 S2 -","- C14 H20 Cl2 N8 Ni O10 S2 -","- C56 H80 Cl8 N32 Ni4 O40 S8 -","4","0.5","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71075","MoKα","","0.0527","0.045","","","0.1295","0.1352","","","","","","1.144","","","","has coordinates,has disorder","272906","2022-02-10","23:51:13",""
"7709464","5.1243","0.0002","11.4452","0.0003","18.183","0.0005","90","","91.109","0.003","90","","1066.21","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 N6 O8 S2 Zn -","- C14 H18 Cl2 N6 O8 S2 Zn -","- C28 H36 Cl4 N12 O16 S4 Zn2 -","2","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.0329","0.0322","","","0.1058","0.11","","","","","","1.13","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709465","9.077","0.0003","17.2213","0.0008","19.5201","0.0006","90","","90","","90","","3051.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl Cu N6 O7 S2 -","- C24 H36 Cl Cu N6 O7 S2 -","- C96 H144 Cl4 Cu4 N24 O28 S8 -","4","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.1073","0.0662","","","0.1278","0.1439","","","","","","1.035","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709466","12.5881","0.0009","6.0555","0.0004","19.3671","0.0014","90","","101.012","0.002","90","","1449.12","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Cl Cu N3 O S -","- C12 H17 Cl Cu N3 O S -","- C48 H68 Cl4 Cu4 N12 O4 S4 -","4","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71075","MoKα","","0.0386","0.0308","","","0.0786","0.0826","","","","","","1.03","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709467","10.7026","0.0008","16.385","0.0011","7.9196","0.0005","90","","97.287","0.002","90","","1377.58","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 Cu N8 O2 S2 -","- C22 H28 Cl2 Cu N8 O2 S2 -","- C44 H56 Cl4 Cu2 N16 O4 S4 -","2","0.5","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71075","MoKα","","0.0651","0.0619","","","0.1616","0.1671","","","","","","1.025","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709468","10.487","0.0007","17.9141","0.0013","15.393","0.0011","90","","106.426","0.001","90","","2773.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl Cu N8 O6 S2 -","- C26 H24 Cl Cu N8 O6 S2 -","- C104 H96 Cl4 Cu4 N32 O24 S8 -","4","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71075","MoKα","","0.046","0.0355","","","0.0905","0.0963","","","","","","0.999","","","","has coordinates,has disorder","272906","2022-02-10","23:51:13",""
"7709469","12.3999","0.0003","14.2258","0.0004","13.3826","0.0003","90","","90.462","0.002","90","","2360.59","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H26 Cl Cu N5 O6.5 S2 -","- C17 H26 Cl Cu N5 O6.5 S2 -","- C68 H104 Cl4 Cu4 N20 O26 S8 -","4","2","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.0687","0.0572","","","0.1509","0.1579","","","","","","1.05","","","","has coordinates,has disorder","272906","2022-02-10","23:51:13",""
"7709470","12.1356","0.0002","14.8336","0.0004","17.2502","0.0004","75.546","0.002","89.585","0.002","88.763","0.002","3006.29","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H42 Cl4 N14 O10 Os2 -","- C59 H42 Cl4 N14 O10 Os2 -","- C118 H84 Cl8 N28 O20 Os4 -","2","1","","Dhara, Suman; Ansari, Mohd. Asif; Schwederski, Brigitte; Filippou, Vasileios; Kaim, Wolfgang; Lahiri, Goutam Kumar","Diosmium compounds containing bis(imidazole)-p-quinone bridging ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00184E","","x-ray","0.71073","MoKα","","0.0529","0.0414","","","0.0983","0.1046","","","","","","1.027","","","","has coordinates","272939","2022-02-11","23:53:36",""
"7709471","9.4378","0.0001","12.8016","0.0002","13.6171","0.0003","101.594","0.002","106.424","0.002","94.748","0.001","1528.72","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Cl N6 O5 Os -","- C31 H23 Cl N6 O5 Os -","- C62 H46 Cl2 N12 O10 Os2 -","2","1","","Dhara, Suman; Ansari, Mohd. Asif; Schwederski, Brigitte; Filippou, Vasileios; Kaim, Wolfgang; Lahiri, Goutam Kumar","Diosmium compounds containing bis(imidazole)-p-quinone bridging ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00184E","","x-ray","0.71073","MoKα","","0.0241","0.0218","","","0.053","0.0541","","","","","","1.041","","","","has coordinates","272939","2022-02-11","23:53:36",""
"7709472","10.4869","0.0001","18.5944","0.0002","33.9047","0.0004","90","","93.953","0.001","90","","6595.61","0.12","150","0.02","150","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H42 Cl4 N14 O10 Os2 -","- C59 H42 Cl4 N14 O10 Os2 -","- C236 H168 Cl16 N56 O40 Os8 -","4","1","","Dhara, Suman; Ansari, Mohd. Asif; Schwederski, Brigitte; Filippou, Vasileios; Kaim, Wolfgang; Lahiri, Goutam Kumar","Diosmium compounds containing bis(imidazole)-p-quinone bridging ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00184E","","x-ray","0.71073","MoKα","","0.043","0.0378","","","0.0949","0.0976","","","","","","1.071","","","","has coordinates","272939","2022-02-11","23:53:37",""
"7709473","6.7411","0.0002","7.5818","0.0002","9.987","0.0003","90","","91.2005","0.0012","90","","510.32","0.03","273","2","273","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- Ba2 P2 S6 -","- Ba2 P2 S6 -","- Ba4 P4 S12 -","2","1","","Ji, Bingheng; Sarkar, Arka; Wu, Kui; Swindle, Andrew; Wang, Jian","A2P2S6 (A=Ba, Pb): A Good Platform to Study Polymorph Effect and Lone Pairs Effect to Form Acentric Structure","Dalton Transactions","2022","","","","","10.1039/D1DT04317J","","","0.71073","MoKα","","0.0212","0.0162","","","0.0405","0.0906","","","","","","1.411","","","","has coordinates","272940","2022-02-11","23:54:05",""
"7709474","31.2054","0.0015","12.4113","0.0006","17.276","0.0009","90","","113.261","0.002","90","","6147.1","0.5","273","","273","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C56 H47 F24 N13 Ni2 P4 -","- C56 H47 F24 N13 Ni2 P4 -","- C224 H188 F96 N52 Ni8 P16 -","4","1","","Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang","Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry","Dalton Transactions","2022","","","","","10.1039/D1DT03651C","","","0.71076","MoKα","","0.0604","0.0511","","","0.1258","0.1326","","","","","","1.053","","","","has coordinates","272941","2022-02-11","23:54:57",""
"7709475","8.0554","0.0008","11.9275","0.0012","14.1463","0.0013","91.319","0.004","95.998","0.004","102.033","0.004","1320.6","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Br2 N6 Ni O2 -","- C27 H26 Br2 N6 Ni O2 -","- C54 H52 Br4 N12 Ni2 O4 -","2","1","","Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang","Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry","Dalton Transactions","2022","","","","","10.1039/D1DT03651C","","","0.71073","MoKα","","0.0835","0.0653","","","0.1627","0.1692","","","","","","1.192","","","","has coordinates","272941","2022-02-11","23:54:57",""
"7709476","8.4515","0.0004","12.4422","0.0006","12.7049","0.0007","95.299","0.002","91.357","0.002","96.987","0.002","1319.57","0.12","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Br F6 N6 Ni P -","- C27 H22 Br F6 N6 Ni P -","- C54 H44 Br2 F12 N12 Ni2 P2 -","2","1","","Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang","Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry","Dalton Transactions","2022","","","","","10.1039/D1DT03651C","","","0.71073","MoKα","","0.0725","0.0474","","","0.1031","0.1113","","","","","","1.049","","","","has coordinates","272941","2022-02-11","23:54:57",""
"7709477","9.1629","0.0007","11.9336","0.001","12.1402","0.0009","91.507","0.004","96.448","0.004","96.523","0.004","1309.52","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Br2 N6 Ni O -","- C28 H26 Br2 N6 Ni O -","- C56 H52 Br4 N12 Ni2 O2 -","2","1","","Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang","Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry","Dalton Transactions","2022","","","","","10.1039/D1DT03651C","","","0.71073","MoKα","","0.117","0.0685","","","0.0882","0.0974","","","","","","1.109","","","","has coordinates","272941","2022-02-11","23:54:57",""
"7709478","8.8886","0.001","19.043","0.002","21.125","0.002","63.884","0.002","80.322","0.002","88.699","0.002","3159.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Al5 Cl22 S16 Sb13 -","- Al5 Cl22 S16 Sb13 -","- Al10 Cl44 S32 Sb26 -","2","1","","Grasser, Matthias A.; Pietsch, Tobias; Brunner, Eike; Ruck, Michael","Exploration of metal sulfide syntheses and the dissolution process of antimony sulfide in phosphonium-based ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","4079","4086","10.1039/d1dt04165g","","","0.71073","MoKα","","0.0442","0.0272","","","0.0265","0.0273","","","","","","1.308","","","","has coordinates","274980","2022-05-05","20:35:39",""
"7709479","7.2209","0.0004","10.1824","0.0009","12.1346","0.0008","93.11","0.006","104.131","0.005","109.667","0.007","805.6","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Bi Cl4 N3 O -","- C12 H10 Bi Cl4 N3 -","- C24 H20 Bi2 Cl8 N6 -","2","1","","Li, Gang-Mei; Liang, Zhen-Gang; Xue, Zhenzhen; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Inserting protonated phenanthroline derivatives to interchain voids of anionic halometallate units to generate hybrid materials with tunable photochromic performance","Dalton Transactions","2022","","","","","10.1039/D2DT00190J","","","0.71073","MoKα","","0.069","0.0508","","","0.1333","0.1403","","","","","","1.072","","","","has coordinates","272955","2022-02-14","23:54:56",""
"7709480","7.2646","0.0007","10.509","0.0012","12.2616","0.0009","95.177","0.008","106.785","0.008","106.916","0.009","841.78","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Bi Cl5 N2 O -","- C12 H8 Bi Cl5 N2 -","- C24 H16 Bi2 Cl10 N4 -","2","1","","Li, Gang-Mei; Liang, Zhen-Gang; Xue, Zhenzhen; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Inserting protonated phenanthroline derivatives to interchain voids of anionic halometallate units to generate hybrid materials with tunable photochromic performance","Dalton Transactions","2022","","","","","10.1039/D2DT00190J","","","0.71073","MoKα","","0.1261","0.078","","","0.1994","0.2447","","","","","","1.035","","","","has coordinates","272955","2022-02-14","23:54:57",""
"7709481","19.603","0.003","18.393","0.003","20.438","0.002","90","","92.355","0.012","90","","7362.9","1.8","80","2","80","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 B F40 P2 Rh S8 -","- C57 H68 B F40 P2 Rh S8 -","- C228 H272 B4 F160 P8 Rh4 S32 -","4","0.5","","Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.","MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT00335J","","electron","0.02508","electron","","0.2194","0.1565","","","0.3421","0.3584","","","","","","1.718","","","","has coordinates","272956","2022-02-14","23:56:12",""
"7709482","19.5254","0.0008","18.4417","0.0019","20.485","0.001","90","","92.333","0.004","90","","7370.2","0.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 B F40 P2 Rh S8 -","- C54 H64 B F40 P2 Rh S8 -","- C216 H256 B4 F160 P8 Rh4 S32 -","4","0.5","","Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.","MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT00335J","","x-ray","1.54184","CuKα","","0.1319","0.0946","","","0.246","0.2755","","","","","","1.09","","","","has coordinates,has disorder","272956","2022-02-14","23:56:18",""
"7709483","19.5339","0.0011","19.016","0.0014","20.3007","0.0009","90","","91.727","0.005","90","","7537.4","0.8","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H72 B F40 P2 Rh S8 -","- C57 H72 B F40 P2 Rh S8 -","- C228 H288 B4 F160 P8 Rh4 S32 -","4","1","","Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.","MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT00335J","","electron","0.02508","electron","","0.2369","0.164","","","0.3631","0.38","","","","","","1.671","","","","has coordinates","272956","2022-02-14","23:56:29",""
"7709484","19.5793","0.0009","18.3333","0.0006","20.4528","0.0007","90","","92.46","0.004","90","","7334.8","0.5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 B F40 P2 Rh S8 -","- C57 H68 B F40 P2 Rh S8 -","- C228 H272 B4 F160 P8 Rh4 S32 -","4","0.5","","Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.","MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT00335J","","x-ray","1.54184","CuKα","","0.1024","0.066","","","0.1627","0.1834","","","","","","1.025","","","","has coordinates,has disorder","272956","2022-02-14","23:56:30",""
"7709485","19.4479","0.0009","19.0194","0.001","20.1725","0.0007","90","","91.572","0.004","90","","7458.7","0.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H72 B F40 P2 Rh S8 -","- C57 H72 B F40 P2 Rh S8 -","- C228 H288 B4 F160 P8 Rh4 S32 -","4","1","","Doyle, Laurence R.; Thompson, Emily A.; Burnage, Arron L.; Whitwood, Adrian C.; Jenkins, Huw T.; Macgregor, Stuart A.; Weller, Andrew S.","MicroED characterization of a robust cationic σ-alkane complex stabilized by the [B(3,5-(SF5)2C6H3)4]− anion, via on-grid solid/gas single-crystal to single-crystal reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT00335J","","x-ray","1.54184","CuKα","","0.1385","0.0865","","","0.2273","0.2587","","","","","","1.07","","","","has coordinates","272956","2022-02-14","23:56:30",""
"7709486","9.3827","0.0002","13.8186","0.0004","18.5659","0.0005","77.963","0.002","84.825","0.002","81.221","0.002","2322.42","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","dicopper(II) complex of orthophenylene linked macrocycles","VSX185","","- C48 H50 B2 Cu2 F8 N10 -","- C48 H50 B2 Cu2 F8 N10 -","- C96 H100 B4 Cu4 F16 N20 -","2","1","","Singh, Varinder; Abudayyeh, Abdullah M.; Robb, Matthew G.; Brooker, Sally","Mono-copper far more active than analogous di-copper complex for electrocatalytic hydrogen evolution.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","4166","4172","10.1039/d2dt00141a","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1094","0.1168","","","","","","1.026","","","","has coordinates,has disorder","274978","2022-05-05","20:35:12",""
"7709487","19.4181","0.0002","16.6427","0.0002","20.1511","0.0004","90","","107.688","0.002","90","","6204.36","0.17","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H152 N10 O46 Ti14 -","- C90 H152 N10 O46 Ti14 -","- C180 H304 N20 O92 Ti28 -","2","0.5","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.0899","0.0706","","","0.1852","0.1953","","","","","","1.049","","","","has coordinates","272980","2022-02-15","23:53:36",""
"7709488","15.2721","0.0002","15.2721","0.0002","15.8807","0.0003","90","","90","","90","","3703.97","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","I -4","I -4","82","","","","- C60 H60 N12 O28 Ti6 -","- C60 H60 N12 O28 Ti6 -","- C120 H120 N24 O56 Ti12 -","2","0.25","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0753","0.0757","","","","","","1.013","","","","has coordinates","272980","2022-02-15","23:53:36",""
"7709489","14.1453","0.0018","25.9558","0.0014","14.178","0.002","90","","112.466","0.015","90","","4810.4","1.1","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C56 H96 N4 O48 Ti17 -","- C56 H95.5 N4 O48 Ti17 -","- C112 H191 N8 O96 Ti34 -","2","0.5","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.1319","0.1015","","","0.287","0.3121","","","","","","1.021","","","","has coordinates,has disorder","272980","2022-02-15","23:53:37",""
"7709490","22.0234","0.001","15.8771","0.0005","28.8999","0.0006","90","","90","","90","","10105.4","0.6","172.99","0.1","172.99","0.1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C124 H102 N20 O70 Ti19 -","- C124 H102 N20 O70 Ti19 -","- C248 H204 N40 O140 Ti38 -","2","0.5","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.0965","0.0704","","","0.1918","0.2147","","","","","","1.038","","","","has coordinates,has disorder","272980","2022-02-15","23:53:37",""
"7709491","32.091","0.0003","32.091","0.0003","32.091","0.0004","90","","90","","90","","33048.3","0.6","172.99","0.1","172.99","0.1","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C66 H86 N8 O56 Ti18 -","- C66 H86 N8 O56 Ti18 -","- C396 H516 N48 O336 Ti108 -","6","0.125","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54178","CuKα","","0.1433","0.0904","","","0.2498","0.3016","","","","","","1.041","","","","has coordinates,has disorder","272980","2022-02-15","23:53:37",""
"7709492","15.9539","0.0006","17.4707","0.0009","29.0128","0.0009","89.709","0.003","80.24","0.003","81.263","0.004","7875.3","0.6","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C99 H76 N16 O61 Ti15 -","- C99 H76 N16 O61 Ti15 -","- C198 H152 N32 O122 Ti30 -","2","1","","Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng","Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate","Dalton Transactions","2022","","","","","10.1039/D1DT04170C","","x-ray","1.54184","CuKα","","0.159","0.0831","","","0.2232","0.2729","","","","","","0.944","","","","has coordinates","272980","2022-02-15","23:53:38",""
"7709493","12.3667","0.0002","20.3331","0.0004","10.443","0.0002","90","","90","","90","","2625.93","0.08","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H36 Br2 N2 Se -","- C27 H36 Br2 N2 Se -","- C108 H144 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0433","0.0294","","","0.0584","0.0636","","","","","","1.015","","","","has coordinates","272982","2022-02-15","23:59:42",""
"7709494","9.7248","0.0001","18.3045","0.0002","17.8287","0.0003","90","","98.166","0.001","90","","3141.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Br4 N2 Se -","- C27 H38 Br4 N2 Se -","- C108 H152 Br16 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0428","0.029","","","0.0567","0.0617","","","","","","1.067","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709495","9.8098","0.0002","17.0515","0.0002","10.038","0.0002","90","","110.109","0.002","90","","1576.72","0.05","100.49","0.1","100.49","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C27 H34 Br4 Cl2 N2 Se -","- C27 H34 Br4 Cl2 N2 Se -","- C54 H68 Br8 Cl4 N4 Se2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0353","0.032","","","0.0747","0.0764","","","","","","1.102","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709496","10.4976","0.0009","7.4915","0.0005","22.3272","0.0017","90","","101.384","0.008","90","","1721.3","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Br2 N2 S -","- C15 H24 Br2 N2 S -","- C60 H96 Br8 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.08","0.0609","","","0.1548","0.1775","","","","","","1.02","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709497","19.6139","0.0004","14.3164","0.0003","7.582","0.0001","90","","90","","90","","2129.03","0.07","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H24 Br2 N2 Se -","- C21 H24 Br2 N2 Se -","- C84 H96 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0331","0.0255","","","0.0601","0.0635","","","","","","1.044","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709498","9.7087","0.0003","12.5412","0.0003","15.164","0.0003","77.201","0.002","77.009","0.002","73.293","0.002","1698.62","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Br2 Cl2 N2 Se -","- C30 H42 Br2 Cl2 N2 Se -","- C60 H84 Br4 Cl4 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0344","0.0288","","","0.0678","0.0706","","","","","","1.044","","","","has coordinates","272982","2022-02-15","23:59:43",""
"7709499","18.5263","0.0006","15.6201","0.0006","7.3666","0.0002","90","","90","","90","","2131.77","0.12","100","0.1","100","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C21 H26 Br2 N2 Se -","- C21 H26 Br2 N2 Se -","- C84 H104 Br8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0471","0.0392","","","0.0958","0.1008","","","","","","1.034","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709500","19.3439","0.0003","12.9998","0.0002","21.4322","0.0004","90","","90","","90","","5389.49","0.15","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl2 N2 Se -","- C27 H38 Cl2 N2 Se -","- C216 H304 Cl16 N16 Se8 -","8","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.055","0.0443","","","0.1065","0.1158","","","","","","1.04","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709501","14.076","0.0001","14.076","0.0001","13.5004","0.0002","90","","90","","90","","2674.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H36 Cl2 N2 Se -","- C27 H36 Cl2 N2 Se -","- C108 H144 Cl8 N8 Se4 -","4","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0353","0.0295","","","0.0654","0.068","","","","","","1.043","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709502","9.7651","0.0002","16.9691","0.0003","10.1288","0.0002","90","","110.132","0.002","90","","1575.85","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 Br4 N2 S -","- C29 H40 Br4 N2 S -","- C58 H80 Br8 N4 S2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.042","0.0355","","","0.088","0.0915","","","","","","1.059","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709503","10.3863","0.0002","15.2158","0.0002","14.1625","0.0003","90","","105.698","0.002","90","","2154.7","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br2 N2 S -","- C21 H24 Br2 N2 S -","- C84 H96 Br8 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0322","0.0269","","","0.0653","0.0679","","","","","","1.08","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709504","20.8862","0.0005","8.1398","0.0001","13.9252","0.0002","90","","100.044","0.002","90","","2331.13","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C43 H54 Br4 Cl2 N4 S2 -","- C43 H54 Br4 Cl2 N4 S2 -","- C86 H108 Br8 Cl4 N8 S4 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0451","0.0364","","","0.0931","0.1002","","","","","","1.025","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709505","10.5501","0.0004","13.3094","0.0005","21.9568","0.0009","104.727","0.003","92.152","0.003","96.504","0.003","2955.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C69 H56 Cl2 N2 Se -","- C69 H56 Cl2 N2 Se -","- C138 H112 Cl4 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0837","0.0674","","","0.166","0.1772","","","","","","1.044","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709506","30.1615","0.0004","44.2672","0.0007","18.8321","0.0003","90","","97.73","0.002","90","","24915.5","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 I2 N2 Se -","- C21 H26 I2 N2 Se -","- C840 H1040 I80 N80 Se40 -","40","5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0885","0.0435","","","0.0746","0.0913","","","","","","0.948","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709507","10.7433","0.0002","18.7344","0.0002","16.2982","0.0002","90","","102.654","0.001","90","","3200.65","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl2 I2 N2 Se -","- C28 H38 Cl2 I2 N2 Se -","- C112 H152 Cl8 I8 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0408","0.035","","","0.0886","0.0933","","","","","","1.019","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709508","11.72","0.0007","13.2714","0.0008","15.9571","0.0008","78.387","0.005","74.49","0.005","66.02","0.006","2173","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl N2 O4 S -","- C21 H27 Cl N2 O4 S -","- C84 H108 Cl4 N8 O16 S4 -","4","2","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0912","0.0514","","","0.0976","0.1141","","","","","","0.992","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709509","7.3535","0.0002","15.3563","0.0004","18.1591","0.0004","90","","92.485","0.002","90","","2048.64","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl2 N2 Se -","- C21 H26 Cl2 N2 Se -","- C84 H104 Cl8 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0631","0.0471","","","0.1113","0.1187","","","","","","1.109","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709510","7.4915","0.0002","15.8395","0.0005","19.5337","0.0005","90","","95.97","0.003","90","","2305.33","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 I2 N2 Se -","- C21 H24 I2 N2 Se -","- C84 H96 I8 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0801","0.0495","","","0.0989","0.1196","","","","","","1.089","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709511","8.6805","0.0002","10.5911","0.0002","18.1694","0.0004","74.003","0.002","89.506","0.002","73.08","0.002","1531.57","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl2 I2 N2 Se -","- C27 H34 Cl2 I2 N2 Se -","- C54 H68 Cl4 I4 N4 Se2 -","2","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0287","0.0257","","","0.0621","0.064","","","","","","1.059","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709512","12.55015","0.00017","11.35537","0.00012","15.8885","0.0002","90","","96.6229","0.0011","90","","2249.19","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 I2 N2 S -","- C21 H24 I2 N2 S -","- C84 H96 I8 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0313","0.0234","","","0.0487","0.0518","","","","","","1.002","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709513","10.4196","0.0002","7.5963","0.0001","22.293","0.0005","90","","99.888","0.002","90","","1738.29","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Br2 N2 Se -","- C15 H24 Br2 N2 Se -","- C60 H96 Br8 N8 Se4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0474","0.0464","","","0.1131","0.1137","","","","","","1.153","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709514","14.8192","0.0006","9.6293","0.0003","15.9429","0.0006","90","","117.447","0.005","90","","2018.95","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C31 H50 Cl2 I4 N4 S2 -","- C31 H50 Cl2 I4 N4 S2 -","- C62 H100 Cl4 I8 N8 S4 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0669","0.0561","","","0.1573","0.1686","","","","","","1.056","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709515","10.2704","0.0002","16.8187","0.0003","10.5634","0.0002","90","","110.816","0.002","90","","1705.56","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H40 I4 N2 Se -","- C29 H40 I4 N2 Se -","- C58 H80 I8 N4 Se2 -","2","0.5","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0542","0.0451","","","0.1197","0.1263","","","","","","1.084","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709516","10.457","0.0004","11.6249","0.0005","16.159","0.0007","107.039","0.004","101.991","0.003","91.225","0.003","1829.99","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 I2 N2 Se -","- C15 H24 I2 N2 Se -","- C60 H96 I8 N8 Se4 -","4","2","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0546","0.0409","","","0.0973","0.1059","","","","","","1.033","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709517","10.676","0.0001","32.7882","0.0002","18.8464","0.0001","90","","90.728","0.001","90","","6596.59","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H78 Cl2 I6 N4 Se2 -","- C55 H78 Cl2 I6 N4 Se2 -","- C220 H312 Cl8 I24 N16 Se8 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0448","0.0404","","","0.1016","0.1054","","","","","","1.041","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709518","13.0081","0.0001","17.91","0.0002","24.2237","0.0002","90","","93.068","0.001","90","","5635.43","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H56 I2 N2 S -","- C69 H56 I2 N2 S -","- C276 H224 I8 N8 S4 -","4","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.0494","0.0346","","","0.084","0.0916","","","","","","1.009","","","","has coordinates","272982","2022-02-15","23:59:45",""
"7709519","9.3922","0.0006","13.6988","0.0011","16.1785","0.0006","103.329","0.005","106.405","0.005","104.69","0.006","1826.3","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ir-BTD-IG","","- C42 H28 Cl3 Ir N6 S2 -","- C42 H28 Cl3 Ir N6 S2 -","- C84 H56 Cl6 Ir2 N12 S4 -","2","1","","Gupta, Iti; Manav, Neha; Lone, Mohsin; Raza, Md Kausar; Chavda, Jaydeepsinh; Mori, Shigeki","Luminescent Iridium(III) Dipyrrinato Complexes: Synthesis, X-ray Structures, DFT and Photocytotoxicity Studies of Glycosylated Derivatives","Dalton Transactions","2022","","","","","10.1039/D1DT04218A","","x-ray","0.71073","MoKα","","0.1081","0.0605","","","0.1225","0.1351","","","","","","0.974","","","","has coordinates,has disorder","272983","2022-02-16","00:02:32",""
"7709520","14.5183","0.0004","9.2894","0.0003","20.2339","0.0006","90","","93.517","0.003","90","","2723.73","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ir-thia-IG","","- C35 H25 Ir N4 S -","- C35 H25 Ir N4 S -","- C140 H100 Ir4 N16 S4 -","4","1","","Gupta, Iti; Manav, Neha; Lone, Mohsin; Raza, Md Kausar; Chavda, Jaydeepsinh; Mori, Shigeki","Luminescent Iridium(III) Dipyrrinato Complexes: Synthesis, X-ray Structures, DFT and Photocytotoxicity Studies of Glycosylated Derivatives","Dalton Transactions","2022","","","","","10.1039/D1DT04218A","","x-ray","0.71073","MoKα","","0.0589","0.0345","","","0.0623","0.0675","","","","","","0.976","","","","has coordinates,has disorder","272983","2022-02-16","00:02:33",""
"7709521","10.4126","0.0002","21.5074","0.0005","39.7104","0.0008","90","","90","","90","","8893.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H58 N3 Na O3 Se -","- C48 H58 N3 Na O3 Se -","- C384 H464 N24 Na8 O24 Se8 -","8","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0621","0.045","","","0.1023","0.1109","","","","","","1.039","","","","has coordinates","272984","2022-02-16","00:04:48",""
"7709522","11.1882","0.0008","5.156","0.0004","14.7709","0.0011","90","","93.743","0.006","90","","850.26","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N O Se -","- C8 H7 N O Se -","- C32 H28 N4 O4 Se4 -","4","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0768","0.044","","","0.1589","0.169","","","","","","1.012","","","","has coordinates","272984","2022-02-16","00:04:49",""
"7709523","18.7199","0.0005","18.2981","0.0005","10.5069","0.0003","90","","90","","90","","3599.02","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H50 Ga N2 -","- C42 H50 Ga N2 -","- C168 H200 Ga4 N8 -","4","0.5","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0657","0.0386","","","0.0906","0.0987","","","","","","1.033","","","","has coordinates","272984","2022-02-16","00:04:49",""
"7709524","13.5189","0.0009","14.4611","0.0011","18.747","0.002","76.429","0.008","72.949","0.008","63.25","0.007","3106.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 Mg2 N6 O2 Se2 -","- C74 H70 Mg2 N6 O2 Se2 -","- C148 H140 Mg4 N12 O4 Se4 -","2","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","1.54184","CuKα","","0.1874","0.0756","","","0.1166","0.1735","","","","","","1.006","","","","has coordinates","272984","2022-02-16","00:04:49",""
"7709525","12.9342","0.0009","24.5967","0.0017","17.0576","0.0012","90","","93.274","0.002","90","","5417.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H79 Mg N3 O4 Se -","- C60 H79 Mg N3 O4 Se -","- C240 H316 Mg4 N12 O16 Se4 -","4","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.117","0.0754","","","0.1667","0.1832","","","","","","1.029","","","","has coordinates,has disorder","272984","2022-02-16","00:04:49",""
"7709526","13.0889","0.0004","19.0945","0.0006","21.5669","0.0007","90","","90","","90","","5390.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H80 Ga N2 Na O6 -","- C54 H80 Ga N2 Na O6 -","- C216 H320 Ga4 N8 Na4 O24 -","4","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0668","0.0446","","","0.0851","0.0926","","","","","","1.037","","","","has coordinates,has disorder","272984","2022-02-16","00:04:49",""
"7709527","22.435","0.003","22.776","0.003","22.188","0.003","90","","104.728","0.004","90","","10965","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H67 Mg N7 O Se -","- C64 H67 Mg N7 O Se -","- C512 H536 Mg8 N56 O8 Se8 -","8","2","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.2098","0.1361","","","0.3464","0.3959","","","","","","1.058","","","","has coordinates,has disorder","272984","2022-02-16","00:04:50",""
"7709528","12.7954","0.0007","29.6704","0.0015","15.7466","0.0008","90","","113.349","0.0017","90","","5488.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H160 Ga2 N4 Na2 O16 Se2 -","- C104 H160 Ga2 N4 Na2 O16 Se2 -","- C208 H320 Ga4 N8 Na4 O32 Se4 -","2","0.5","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0641","0.0435","","","0.0963","0.1051","","","","","","1.036","","","","has coordinates,has disorder","272984","2022-02-16","00:04:50",""
"7709529","17.8026","0.0003","20.9308","0.0003","28.5781","0.0004","90","","90","","90","","10648.8","0.3","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H85 Ag Al N3 Si2 -","- C53 H85 Ag Al N3 Si2 -","- C424 H680 Ag8 Al8 N24 Si16 -","8","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.045","0.0374","","","0.0946","0.1008","","","","","","1.023","","","","has coordinates","272985","2022-02-16","00:07:22",""
"7709530","12.4581","0.0001","16.1906","0.0001","23.0546","0.0001","90","","96.251","0.001","90","","4622.56","0.05","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H77 Al Cu N2 P Si2 -","- C42 H77 Al Cu N2 P Si2 -","- C168 H308 Al4 Cu4 N8 P4 Si8 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0287","0.0272","","","0.0708","0.0724","","","","","","1.023","","","","has coordinates","272985","2022-02-16","00:07:22",""
"7709531","9.9421","0.0002","18.8454","0.0005","27.7494","0.0009","90","","96.781","0.003","90","","5162.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 Al Au N4 Si2 -","- C48 H84 Al Au N4 Si2 -","- C192 H336 Al4 Au4 N16 Si8 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0988","0.0662","","","0.1585","0.1739","","","","","","0.898","","","","has coordinates","272985","2022-02-16","00:07:22",""
"7709532","20.4042","0.0002","12.8489","0.0001","21.4769","0.0002","90","","106.3","0.001","90","","5404.31","0.09","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H91 Al Cu N4 P Si2 -","- C49 H91 Al Cu N4 P Si2 -","- C196 H364 Al4 Cu4 N16 P4 Si8 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0418","0.0391","","","0.1043","0.1068","","","","","","1.021","","","","has coordinates,has disorder","272985","2022-02-16","00:07:23",""
"7709533","24.3646","0.0002","10.9273","0.0001","39.1524","0.0003","90","","90","","90","","10423.9","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C96 H168 Ag2 Al2 N12 Si4 -","- C96 H168 Ag2 Al2 N12 Si4 -","- C384 H672 Ag8 Al8 N48 Si16 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0591","0.0571","","","0.1422","0.1454","","","","","","1.045","","","","has coordinates,has disorder","272985","2022-02-16","00:07:23",""
"7709534","14.9232","0.0001","31.7335","0.0001","26.0764","0.0001","90","","91.103","0.001","90","","12346.6","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106.5 H189 Al2 Au2 N12 Si4 -","- C96 H168 Al2 Au2 N12 Si4 -","- C384 H672 Al8 Au8 N48 Si16 -","4","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.0362","0.0318","","","0.0809","0.0837","","","","","","1.026","","","","has coordinates,has disorder","272985","2022-02-16","00:07:23",""
"7709535","8.2234","0.0003","22.7396","0.0007","14.1698","0.0005","90","","99.184","0.003","90","","2615.74","0.16","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N8 O4 Sn -","- C24 H30 N8 O4 Sn -","- C96 H120 N32 O16 Sn4 -","4","0.5","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","0.71073","MoKα","","0.0245","0.0227","","","0.0511","0.0522","","","","","","1.035","","","","has coordinates","272986","2022-02-16","00:09:11",""
"7709536","8.1077","0.0004","8.4826","0.0005","11.9826","0.0006","110.06","0.005","98.633","0.004","106.314","0.005","714.63","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 F3 N4 O2 Sn -","- C12 H15 F3 N4 O2 Sn -","- C24 H30 F6 N8 O4 Sn2 -","2","1","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","0.71073","MoKα","","0.0313","0.0277","","","0.0505","0.052","","","","","","1.075","","","","has coordinates","272986","2022-02-16","00:09:12",""
"7709537","17.0141","0.0005","8.3409","0.0003","16.4275","0.0006","90","","91.304","0.003","90","","2330.67","0.14","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl4 Ga2 N8 O4 -","- C16 H14 Cl4 Ga2 N8 O4 -","- C64 H56 Cl16 Ga8 N32 O16 -","4","0.5","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","1.54184","CuKα","","0.032","0.0293","","","0.0739","0.0762","","","","","","1.079","","","","has coordinates","272986","2022-02-16","00:09:12",""
"7709538","9.7565","0.0005","12.3535","0.0006","14.4351","0.0007","101.09","0.004","103.231","0.004","106.077","0.004","1565.39","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl3 Ga N8 O8 -","- C25 H32 Cl3 Ga N8 O8 -","- C50 H64 Cl6 Ga2 N16 O16 -","2","1","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","0.71073","MoKα","","0.0413","0.0343","","","0.0766","0.0799","","","","","","1.036","","","","has coordinates,has disorder","272986","2022-02-16","00:09:12",""
"7709539","11.0397","0.0003","14.1993","0.0005","24.7702","0.0008","90","","90.993","0.003","90","","3882.3","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H56 N32 O16 Sn4 -","- C64 H56 N32 O16 Sn4 -","- C128 H112 N64 O32 Sn8 -","2","1","","Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai","p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands","Dalton Transactions","2022","","","","","10.1039/D1DT04040E","","x-ray","0.71073","MoKα","","0.0428","0.0343","","","0.0694","0.0739","","","","","","1.023","","","","has coordinates,has disorder","272986","2022-02-16","00:09:12",""
"7709540","9.0341","0.0019","9.664","0.002","12.968","0.003","71.157","0.007","72.824","0.006","73.17","0.007","999.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 N6 O28 Ru2 Zn -","- C24 H48 N6 O28 Ru2 Zn -","- C24 H48 N6 O28 Ru2 Zn -","1","0.5","","Vorobyev, Vasily; Cheplakova, Anastasia M.; Stolyarova, Elena D.; Komarov, Vladislav Yu; Kostin, Gennadiy A.","Metalloligand-based coordination polymer embedding the nitrosyl ruthenium complex for photoactive materials with bound nitric oxide.","Dalton transactions (Cambridge, England : 2003)","2022","51","10","3954","3963","10.1039/d1dt03943a","","","0.71073","MoKα","","0.0816","0.0608","","","0.1475","0.1586","","","","","","1.034","","","","has coordinates","274977","2022-05-05","20:35:02",""
"7709541","20.3976","0.0015","14.198","0.0007","13.6387","0.0009","90","","113.84","0.006","90","","3612.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl3 Cu N4 O7 -","- C12 H13 Cl3 Cu N4 O7 -","- C96 H104 Cl24 Cu8 N32 O56 -","8","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0451","0.0361","","","0.107","0.1188","","","","","","1.006","","","","has coordinates","272994","2022-02-16","23:54:38",""
"7709542","21.2421","0.0012","7.12","0.0003","22.4062","0.001","90","","115.875","0.006","90","","3049.1","0.3","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C24 H22 Cl4 Cu N7 O7 -","- C24 H22 Cl4 Cu N7 O7 -","- C96 H88 Cl16 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0964","0.0586","","","0.121","0.1462","","","","","","1.056","","","","has coordinates","272994","2022-02-16","23:54:39",""
"7709543","12.923","0.0011","13.3034","0.0007","14.0758","0.0008","85.644","0.004","71.862","0.007","72.048","0.006","2187.2","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H62 Br4 Cl2 Cu4 N24 O5 -","- C93 H62 Br4 Cl2 Cu4 N24 O5 -","- C93 H62 Br4 Cl2 Cu4 N24 O5 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.1271","0.0633","","","0.1323","0.1783","","","","","","1.007","","","","has coordinates,has disorder","272994","2022-02-16","23:54:40",""
"7709544","10.2469","0.0005","13.4344","0.0006","20.9301","0.0009","88.404","0.004","80.376","0.004","79.353","0.004","2791.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C97 H68 Br8 Cl8 Co4 N24 O9 -","- C97 H68 Br8 Cl8 Co4 N24 O9 -","- C97 H68 Br8 Cl8 Co4 N24 O9 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0632","0.0426","","","0.1047","0.1179","","","","","","0.995","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709545","10.3047","0.0005","13.6173","0.0008","21.1711","0.0008","89.131","0.004","80.042","0.004","78.773","0.005","2869.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H68 Br16 Co4 N24 O9 -","- C97 H68 Br16 Co4 N24 O9 -","- C97 H68 Br16 Co4 N24 O9 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0811","0.0482","","","0.1047","0.1197","","","","","","1.005","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709546","10.0897","0.0009","12.3484","0.0007","13.279","0.0009","63.242","0.006","71.896","0.007","78.893","0.006","1401.4","0.2","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 Cl8 Co2 N12 O4.5 -","- C48 H33 Cl8 Co2 N12 O4.5 -","- C48 H33 Cl8 Co2 N12 O4.5 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.06","0.0521","","","0.1367","0.1418","","","","","","1.001","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709547","23.057","0.003","7.2192","0.0006","22.309","0.002","90","","123.604","0.017","90","","3092.8","0.8","298","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C96 H88 Br8 Cl8 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.1081","0.0661","","","0.1643","0.2065","","","","","","1.003","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709548","22.6667","0.001","7.2097","0.0004","21.1442","0.0013","90","","115.478","0.006","90","","3119.4","0.3","298","2","298","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C24 H22 Br2 Cl2 Cu N7 O7 -","- C96 H88 Br8 Cl8 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0686","0.0439","","","0.0908","0.1021","","","","","","1.007","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709549","23.2906","0.0018","7.2893","0.0005","22.5828","0.0017","90","","124.599","0.011","90","","3155.9","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H22 Br4 Cu N7 O7 -","- C24 H22 Br4 Cu N7 O7 -","- C96 H88 Br16 Cu4 N28 O28 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0754","0.0544","","","0.1384","0.1592","","","","","","1.007","","","","has coordinates","272994","2022-02-16","23:54:40",""
"7709550","20.5906","0.0005","12.324","0.0002","28.4849","0.0006","90","","106.204","0.002","90","","6941.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H63 Cl3 Cu3 N18 O11 -","- C70 H63 Cl3 Cu3 N18 O11 -","- C280 H252 Cl12 Cu12 N72 O44 -","4","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","1.3415","GaKα","","0.078","0.0504","","","0.1185","0.1319","","","","","","1.002","","","","has coordinates,has disorder","272994","2022-02-16","23:54:40",""
"7709551","10.2555","0.0005","15.0401","0.0007","17.0183","0.0007","88.11","0.004","87.004","0.004","83.153","0.004","2601.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C103.94 H99.82 Cl1.06 Cu4 N24 O17.44 -","- C103.94 H99.82 Cl1.06 Cu4 N24 O17.44 -","- C103.94 H99.82 Cl1.06 Cu4 N24 O17.44 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.1201","0.0689","","","0.151","0.1867","","","","","","0.994","","","","has coordinates,has disorder","272994","2022-02-16","23:54:40",""
"7709552","10.0668","0.0008","12.2845","0.0007","13.5174","0.0008","63.376","0.006","71.616","0.006","79.004","0.005","1415.71","0.18","298","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H33 Br4 Cl4 Co2 N12 O4.5 -","- C48 H33 Br4 Cl4 Co2 N12 O4.5 -","- C48 H33 Br4 Cl4 Co2 N12 O4.5 -","1","0.5","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0754","0.0544","","","0.1246","0.138","","","","","","0.991","","","","has coordinates","272994","2022-02-16","23:54:41",""
"7709553","16.3685","0.0006","19.8394","0.0005","17.318","0.0005","90","","117.66","0.004","90","","4981.2","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H98 Cu4 N24 O21 -","- C100 H98 Cu4 N24 O21 -","- C200 H196 Cu8 N48 O42 -","2","1","","Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua","Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo","Dalton Transactions","2022","","","","","10.1039/D1DT03749H","","","0.71073","MoKα","","0.0706","0.0431","","","0.0943","0.1122","","","","","","1.002","","","","has coordinates","272994","2022-02-16","23:54:41",""
"7709554","11.5452","0.001","7.7477","0.0008","10.3879","0.0011","90","","101.931","0.004","90","","909.11","0.16","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B16 Na2 O26 Sr -","- B16 Na2 O26 Sr -","- B32 Na4 O52 Sr2 -","2","0.5","","Chen, Zhikang; Zhang, Kewang; Zhang, Bei; Zhang, Jun","Na2SrB16O26: A New Borate with Independent Interpenetrating B–O Networks and Deep-Ultraviolet Cutoff Edge","Dalton Transactions","2022","","","","","10.1039/D2DT00009A","","","0.71073","MoKα","","0.0411","0.0355","","","0.0929","0.0979","","","","","","1.039","","","","has coordinates","272995","2022-02-16","23:55:49",""
"7709555","11.6709","0.0002","15.1906","0.0002","15.5405","0.0003","96.042","0.002","109.872","0.002","90.251","0.001","2574.32","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Co2 N8 O22.5 -","- C48 H39 Co2 N8 O22.5 -","- C96 H78 Co4 N16 O45 -","2","1","","Li, Rong-Fang; Zhang, Heng; Hong, Man-Zhou; Shi, Jing-Ge; Liu, Xin-Fang; Feng, Xun","Two Co(ii)/Ni(ii) complexes based on nitrogenous heterocyclic ligands as high-performance electrocatalysts for the hydrogen evolution reaction","Dalton Transactions","2022","","","","","10.1039/D1DT03814A","","x-ray","0.71073","MoKα","","0.0736","0.0552","","","0.1464","0.1572","","","","","","1.049","","","","has coordinates","272996","2022-02-16","23:56:24",""
"7709556","8.6837","0.0003","9.7983","0.0004","15.5846","0.0006","89.868","0.003","78.515","0.003","71.739","0.003","1231.45","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N4 Ni O11.5 -","- C24 H21 N4 Ni O11.5 -","- C48 H42 N8 Ni2 O23 -","2","1","","Li, Rong-Fang; Zhang, Heng; Hong, Man-Zhou; Shi, Jing-Ge; Liu, Xin-Fang; Feng, Xun","Two Co(ii)/Ni(ii) complexes based on nitrogenous heterocyclic ligands as high-performance electrocatalysts for the hydrogen evolution reaction","Dalton Transactions","2022","","","","","10.1039/D1DT03814A","","x-ray","0.71073","MoKα","","0.0443","0.0368","","","0.0787","0.0825","","","","","","1.026","","","","has coordinates","272996","2022-02-16","23:56:25",""
"7709557","11.9309","0.0002","13.5078","0.0002","13.8221","0.0003","90","","102.238","0.0018","90","","2176.95","0.07","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 Cr N8 O2 -","- C20 H21 Cr N8 O2 -","- C80 H84 Cr4 N32 O8 -","4","0.5","","Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón","Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.","Dalton Transactions","2022","","","","","10.1039/D2DT00126H","","x-ray","1.54184","CuKα","","0.0258","0.0257","","","0.074","0.0741","","","","","","1.137","","","","has coordinates","273014","2022-02-17","23:57:25",""
"7709558","10.168","0.0003","10.6947","0.0002","12.356","0.0003","67.15","0.002","76.292","0.002","85.697","0.002","1202.71","0.06","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21.55 Cr N6 O3.28 -","- C26 H21.554 Cr N6 O3.277 -","- C52 H43.108 Cr2 N12 O6.554 -","2","1","","Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón","Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.","Dalton Transactions","2022","","","","","10.1039/D2DT00126H","","x-ray","1.54184","CuKα","","0.0409","0.0392","","","0.1151","0.1164","","","","","","1.097","","","","has coordinates,has disorder","273014","2022-02-17","23:57:26",""
"7709559","8.4851","0.0002","14.3395","0.0002","13.9396","0.0003","90","","106.309","0.002","90","","1627.81","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br3 Cr N3 -","- C15 H11 Br3 Cr N3 -","- C60 H44 Br12 Cr4 N12 -","4","1","","Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón","Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.","Dalton Transactions","2022","","","","","10.1039/D2DT00126H","","x-ray","1.54184","CuKα","","0.0218","0.0212","","","0.0548","0.0551","","","","","","1.073","","","","has coordinates","273014","2022-02-17","23:57:26",""
"7709560","9.0957","0.0001","13.146","0.0002","14.3005","0.0002","90","","107.079","0.002","90","","1634.53","0.04","119.99","0.14","119.99","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cr N6 -","- C18 H11 Cr N6 -","- C72 H44 Cr4 N24 -","4","1","","Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón","Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.","Dalton Transactions","2022","","","","","10.1039/D2DT00126H","","x-ray","1.54184","CuKα","","0.0301","0.0298","","","0.0882","0.0884","","","","","","1.133","","","","has coordinates,has disorder","273014","2022-02-17","23:57:26",""
"7709561","15.551","0.004","13.574","0.004","17.328","0.004","90","","90.105","0.017","90","","3657.7","1.7","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Pt((CH3)2CCHN(o-C6H4)PPh2)2]","","- C44 H42 N2 P2 Pt -","- C44 H42 N2 P2 Pt -","- C176 H168 N8 P8 Pt4 -","4","1","","Jackman, Kyle M. K.; Liang, Guangchao; Boyle, Paul D.; Zimmerman, Paul M.; Blacquiere, Johanna M.","Changes in ligand coordination mode induce bimetallic C–C coupling pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00322H","","","0.71073","MoKα","","0.0553","0.0277","","","0.0499","0.0571","","","","","","1.006","","","","has coordinates","273015","2022-02-17","23:58:16",""
"7709562","10.568","0.004","11.581","0.003","18.826","0.005","95.004","0.009","101.514","0.013","91.357","0.009","2247.1","1.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 N2 O P2 Pd2 -","- C50 H60 N2 O P2 Pd2 -","- C100 H120 N4 O2 P4 Pd4 -","2","1","","Jackman, Kyle M. K.; Liang, Guangchao; Boyle, Paul D.; Zimmerman, Paul M.; Blacquiere, Johanna M.","Changes in ligand coordination mode induce bimetallic C–C coupling pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00322H","","","0.71073","MoKα","","0.066","0.0363","","","0.0741","0.0863","","","","","","1.021","","","","has coordinates,has disorder","273015","2022-02-17","23:58:16",""
"7709563","10.796","0.0003","20.9622","0.0005","14.3983","0.0003","90","","90","","90","","3258.45","0.14","120.01","0.1","120.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H15 F6 I N5 P -","- C10 H15 F6 I N5 P -","- C80 H120 F48 I8 N40 P8 -","8","2","","Yu, Shilin; Ward, Jas S.","Ligand Exchange Among Iodine(I) Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04309A","","x-ray","1.54184","CuKα","","0.0606","0.0545","","","0.1361","0.1434","","","","","","1.035","","","","has coordinates","273016","2022-02-17","23:59:09",""
"7709564","10.3407","0.0001","17.5114","0.0003","20.2383","0.0003","90","","90","","90","","3664.75","0.09","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 F6 I N4 P -","- C12 H24 F6 I N4 P -","- C96 H192 F48 I8 N32 P8 -","8","2","","Yu, Shilin; Ward, Jas S.","Ligand Exchange Among Iodine(I) Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04309A","","x-ray","1.54184","CuKα","","0.0287","0.0266","","","0.0641","0.0659","","","","","","1.036","","","","has coordinates","273016","2022-02-17","23:59:19",""
"7709565","28.337","0.0012","28.337","0.0012","87.124","0.004","90","","90","","120","","60587","5","120.02","","120.02","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96 H382 N76 O2 S93 Sn24 Zn26 -","- O1.9998 S93 Sn24 Zn26 -","- O11.9988 S558 Sn144 Zn156 -","6","0.166667","","Liu, Chengdong; Ding, Yayun; Wang, Xiang; Zhou, Rui","Two new metal-chalcogenide-cluster-based frameworks with single metal ions of Zn2+(/Sb3+) serving as inter-cluster linkers","Dalton Transactions","2022","","","","","10.1039/D1DT04132K","","","0.71073","MoKα","","0.0737","0.0429","","","0.0922","0.1022","","","","","","0.945","","","","has coordinates,has disorder","273017","2022-02-18","00:00:20",""
"7709566","16.8345","0.0013","17.3068","0.0013","25.268","0.002","90","","105.003","0.003","90","","7110.9","1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H112 N21 S17 Sb Sn4 Zn4 -","- S17 Sb Sn4 Zn4 -","- S68 Sb4 Sn16 Zn16 -","4","1","","Liu, Chengdong; Ding, Yayun; Wang, Xiang; Zhou, Rui","Two new metal-chalcogenide-cluster-based frameworks with single metal ions of Zn2+(/Sb3+) serving as inter-cluster linkers","Dalton Transactions","2022","","","","","10.1039/D1DT04132K","","","0.71073","MoKα","","0.1115","0.0947","","","0.2077","0.2151","","","","","","1.106","","","","has coordinates","273017","2022-02-18","00:00:20",""
"7709567","9.5513","0.001","10.1949","0.0009","12.0621","0.0011","90.403","0.007","102.656","0.008","103.957","0.008","1109.94","0.19","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H70 Mn2 N4 Si6 -","- C34 H72 Mn2 N4 Si6 -","- C34 H72 Mn2 N4 Si6 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0872","0.0665","","","0.1566","0.1669","","","","","","1.127","","","","has coordinates","273037","2022-02-18","23:59:35",""
"7709568","10.4374","0.0006","15.6526","0.0008","18.7151","0.001","107.997","0.005","105.323","0.005","101.251","0.005","2673.9","0.3","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H164 Cl2 Mn4 N8 Si12 -","- C80 H164 Cl2 Mn4 N8 Si12 -","- C80 H164 Cl2 Mn4 N8 Si12 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0957","0.0719","","","0.1917","0.21","","","","","","1.053","","","","has coordinates,has disorder","273037","2022-02-18","23:59:35",""
"7709569","10.0442","0.0003","16.4938","0.0004","22.9493","0.0005","77.906","0.002","84.578","0.002","75.704","0.002","3598.77","0.16","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H116 Li4 N4 O2 Si6 -","- C62 H116 Li4 N4 O2 Si6 -","- C124 H232 Li8 N8 O4 Si12 -","2","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0618","0.0478","","","0.1369","0.1486","","","","","","1.019","","","","has coordinates,has disorder","273037","2022-02-18","23:59:35",""
"7709570","9.1109","0.0004","12.3473","0.0005","12.7686","0.0006","101.77","0.004","92.549","0.004","99.528","0.003","1382.24","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H94 Cl2 Mn2 N4 Si6 -","- C38 H94 Cl2 Mn2 N4 Si6 -","- C38 H94 Cl2 Mn2 N4 Si6 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0649","0.0543","","","0.1432","0.1504","","","","","","1.071","","","","has coordinates,has disorder","273037","2022-02-18","23:59:35",""
"7709571","9.054","0.0006","12.2175","0.0007","12.6523","0.0008","100.857","0.005","92.8","0.005","99.344","0.005","1351.71","0.15","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H94 Cl2 Co2 N4 Si6 -","- C38 H94 Cl2 Co2 N4 Si6 -","- C38 H94 Cl2 Co2 N4 Si6 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0836","0.0678","","","0.1715","0.1819","","","","","","1.07","","","","has coordinates","273037","2022-02-18","23:59:35",""
"7709572","9.0648","0.0005","12.2798","0.0007","12.6473","0.0007","100.964","0.005","92.641","0.004","99.343","0.005","1359.48","0.14","179.99","0.1","179.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H94 Cl2 Fe2 N4 Si6 -","- C38 H94 Cl2 Fe2 N4 Si6 -","- C38 H94 Cl2 Fe2 N4 Si6 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0612","0.0395","","","0.085","0.0918","","","","","","1.037","","","","has coordinates,has disorder","273037","2022-02-18","23:59:36",""
"7709573","9.0194","0.0006","10.6298","0.0005","13.1801","0.0008","74.912","0.005","73.834","0.006","77.514","0.004","1157.67","0.12","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H70 Cl2 Mn2 N4 Si6 -","- C34 H70 Cl2 Mn2 N4 Si6 -","- C34 H70 Cl2 Mn2 N4 Si6 -","1","0.5","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0394","0.0313","","","0.0713","0.0739","","","","","","0.987","","","","has coordinates","273037","2022-02-18","23:59:36",""
"7709574","14.9573","0.0006","12.5606","0.0004","14.2562","0.0005","90","","90","","90","","2678.35","0.17","180","0.1","180","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H47 Cl Cr N2 Si3 -","- C19 H47 Cl Cr N2 Si3 -","- C76 H188 Cl4 Cr4 N8 Si12 -","4","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0437","0.0413","","","0.1056","0.1074","","","","","","1.051","","","","has coordinates,has disorder","273037","2022-02-18","23:59:36",""
"7709575","15.81","0.0009","10.4149","0.0004","16.2663","0.0009","90","","108.524","0.006","90","","2539.6","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H47 Li N2 Si3 -","- C19 H47 Li N2 Si3 -","- C76 H188 Li4 N8 Si12 -","4","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0471","0.0348","","","0.0939","0.0993","","","","","","1.04","","","","has coordinates","273037","2022-02-18","23:59:36",""
"7709576","10.1787","0.0002","16.4316","0.0004","31.9451","0.0007","90","","90","","90","","5342.9","0.2","180","0.1","180","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Li N2 O Si3 -","- C21 H43 Li N2 O Si3 -","- C168 H344 Li8 N16 O8 Si24 -","8","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0558","0.0425","","","0.1116","0.1191","","","","","","1.023","","","","has coordinates","273037","2022-02-18","23:59:36",""
"7709577","9.4284","0.0002","17.4514","0.0004","29.3718","0.0006","90","","92.695","0.002","90","","4827.45","0.18","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H84 Li2 N4 S Si6 -","- C32 H84 Li2 N4 S Si6 -","- C128 H336 Li8 N16 S4 Si24 -","4","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0466","0.0379","","","0.0922","0.0961","","","","","","1.07","","","","has coordinates,has disorder","273037","2022-02-18","23:59:37",""
"7709578","9.3689","0.0009","14.5884","0.0011","21.1472","0.0012","69.939","0.006","86.262","0.007","74.947","0.007","2620.9","0.4","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H71 Cl Mn2 N4 Si6 -","- C34 H71 Cl Mn2 N4 Si6 -","- C68 H142 Cl2 Mn4 N8 Si12 -","2","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0997","0.0828","","","0.2128","0.2237","","","","","","1.075","","","","has coordinates","273037","2022-02-18","23:59:37",""
"7709579","30.8142","0.0009","30.8142","0.0009","30.8142","0.0009","90","","90","","90","","29258.5","1.5","100","","100","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C407.5 H621.85 Cl Mn6 Mo36 N81.95 Na16 O236.9 -","- C308 H323.999 Cl Mn6 Mo36 N40 Na16 O191 -","- C616 H647.998 Cl2 Mn12 Mo72 N80 Na32 O382 -","2","0.0833333","","Guan, Weiming; Li, Bao; Wu, Lixin","Chiral hexamers of organically modified polyoxometalates via ionic complexation","Dalton Transactions","2022","","","","","10.1039/D2DT00093H","","x-ray","0.71073","MoKα","","0.0526","0.0392","","","0.0949","0.1049","","","","","","1.078","","","","has coordinates,has disorder","273043","2022-02-19","23:47:54",""
"7709580","9.3899","0.0009","13.0933","0.0013","16.5155","0.0016","90.088","0.004","95.059","0.004","99.731","0.004","1993.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H84 Mn Mo6 N10 Na3 O36 -","- C60 H84 Mn Mo6 N10 Na3 O36 -","- C60 H84 Mn Mo6 N10 Na3 O36 -","1","0.5","","Guan, Weiming; Li, Bao; Wu, Lixin","Chiral hexamers of organically modified polyoxometalates via ionic complexation","Dalton Transactions","2022","","","","","10.1039/D2DT00093H","","x-ray","0.71073","MoKα","","0.0602","0.0369","","","0.0749","0.0839","","","","","","1.023","","","","has coordinates,has disorder","273043","2022-02-19","23:47:55",""
"7709581","30.9645","0.0015","30.9645","0.0015","30.9645","0.0015","90","","90","","90","","29689","2","100","","100","","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C416.3 H662.05 Cl Mn6 Mo36 N86.22 Na16 O250.36 -","- C308 H323.999 Cl Mn6 Mo36 N40 Na16 O191 -","- C616 H647.998 Cl2 Mn12 Mo72 N80 Na32 O382 -","2","0.0833333","","Guan, Weiming; Li, Bao; Wu, Lixin","Chiral hexamers of organically modified polyoxometalates via ionic complexation","Dalton Transactions","2022","","","","","10.1039/D2DT00093H","","x-ray","0.71073","MoKα","","0.0653","0.0409","","","0.094","0.1148","","","","","","1.159","","","","has coordinates,has disorder","273043","2022-02-19","23:47:55",""
"7709582","29.6","0.015","21.925","0.011","22.45","0.011","90","","94.34","0.017","90","","14528","13","196","2","195.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C132 H207 K3 Mg3 N12 O6 -","- C132 H207 K3 Mg3 N12 O6 -","- C528 H828 K12 Mg12 N48 O24 -","4","1","","Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound","Dalton Transactions","2022","","","","","10.1039/D2DT00181K","","","0.71073","MoKα","","0.1072","0.0774","","","0.2141","0.2373","","","","","","1.041","","","","has coordinates","273044","2022-02-19","23:49:24",""
"7709583","14.1","0.03","17.32","0.03","34.45","0.06","95.42","0.04","97.06","0.04","108.92","0.04","7817","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H227 K3 Mg3 N12 O7 -","- C140 H218 K3 Mg3 N12 O7 -","- C280 H436 K6 Mg6 N24 O14 -","2","1","","Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound","Dalton Transactions","2022","","","","","10.1039/D2DT00181K","","","0.71073","MoKα","","0.1964","0.1148","","","0.2297","0.2609","","","","","","1.13","","","","has coordinates,has disorder","273044","2022-02-19","23:49:24",""
"7709584","29.376","0.008","21.502","0.006","23.225","0.007","90","","95.674","0.01","90","","14598","7","150","2","150.18","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C138 H219 K3 Mg3 N12 O6 -","- C138 H219 K3 Mg3 N12 O6 -","- C552 H876 K12 Mg12 N48 O24 -","4","1","","Xue, Yujie; Wang, Jijiang; Shi, Yalei; Xu, Wenhua; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Assembly of metallo-macrocycles through reductive C–C coupling of alkylnitriles by an Mg–Mg-bonded compound","Dalton Transactions","2022","","","","","10.1039/D2DT00181K","","","0.71073","MoKα","","0.061","0.0544","","","0.1515","0.1579","","","","","","1.054","","","","has coordinates","273044","2022-02-19","23:49:25",""
"7709585","9.1929","0.0008","4.838","0.0005","13.2467","0.0011","90","","93.073","0.007","90","","588.3","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","betaine of aminoguanidine monohydrate","","- C2 H8 N4 O3 -","- C2 H8 N4 O3 -","- C8 H32 N16 O12 -","4","1","","Monroe, Jeffrey C.; Carvajal, M.Angels; Landee, Christopher P.; Deumal, Mercè; Turnbull, Mark M.; Wikaira, Jan L.; Dawe, Louise N.","Approaching the isotropic spin-ladder regime: Structure and magnetism of all-pyrazine-bridged copper(II)-based antiferromagnetic ladders","Dalton Transactions","2022","","","","","10.1039/D1DT04219J","","","0.71065","MoKα","","0.0627","0.0399","","","0.1041","0.1154","","","","","","1.006","","","","has coordinates","273074","2022-02-21","23:52:53",""
"7709586","13.3208","0.0005","12.5015","0.0004","8.9448","0.0004","90","","102.859","0.003","90","","1452.22","0.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylic acid","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C64 H44 N4 O16 S4 -","4","1","","Monroe, Jeffrey C.; Carvajal, M.Angels; Landee, Christopher P.; Deumal, Mercè; Turnbull, Mark M.; Wikaira, Jan L.; Dawe, Louise N.","Approaching the isotropic spin-ladder regime: Structure and magnetism of all-pyrazine-bridged copper(II)-based antiferromagnetic ladders","Dalton Transactions","2022","","","","","10.1039/D1DT04219J","","","1.5418","CuKα","","0.0981","0.0549","","0.1671","","0.1671","","","1.111","","","1.111","","","","has coordinates","273074","2022-02-21","23:52:54",""
"7709587","21.3908","0.0005","6.83271","0.00013","16.4846","0.0003","90","","99.288","0.002","90","","2377.75","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl4 Cu N5 O10 -","- C16 H14 Cl4 Cu N5 O10 -","- C64 H56 Cl16 Cu4 N20 O40 -","4","1","","Monroe, Jeffrey C.; Carvajal, M.Angels; Landee, Christopher P.; Deumal, Mercè; Turnbull, Mark M.; Wikaira, Jan L.; Dawe, Louise N.","Approaching the isotropic spin-ladder regime: Structure and magnetism of all-pyrazine-bridged copper(II)-based antiferromagnetic ladders","Dalton Transactions","2022","","","","","10.1039/D1DT04219J","","","1.54184","CuKα","","0.0678","0.0593","","","0.1634","0.172","","","","","","1.056","","","","has coordinates,has disorder","273074","2022-02-21","23:52:54",""
"7709588","17.802","0.0007","10.92","0.0004","18.94","0.0007","90","","114.84","0.002","90","","3341.3","0.2","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Fe N7 -","- C37 H45 Fe N7 -","- C148 H180 Fe4 N28 -","4","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.0689","0.0574","","","0.152","0.1601","","","","","","1.098","","","","has coordinates,has disorder","273120","2022-02-22","23:59:28",""
"7709589","10.0097","0.0002","13.3716","0.0002","13.7414","0.0002","69.6737","0.0008","77.37","0.0008","69.1267","0.0008","1602.03","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43.25 Li N2 O1.12 -","- C37.84 H42.922 Li N2 O1.081 -","- C75.68 H85.844 Li2 N4 O2.162 -","2","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","0.71073","MoKα","","0.0777","0.0523","","","0.1251","0.139","","","","","","1.052","","","","has coordinates,has disorder","273120","2022-02-22","23:59:39",""
"7709590","9.3605","0.0006","19.0634","0.0012","16.6011","0.001","90","","100.055","0.003","90","","2916.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Cl Fe N4 O -","- C33 H37 Cl Fe N4 O -","- C132 H148 Cl4 Fe4 N16 O4 -","4","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.0545","0.0515","","","0.1468","0.1511","","","","","","1.036","","","","has coordinates,has disorder","273120","2022-02-22","23:59:39",""
"7709591","19.996","0.002","15.5867","0.0017","24.582","0.003","90","","105.866","0.005","90","","7369.6","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H45 F3 Fe N4 O3 S -","- C38 H45 F3 Fe N4 O3 S -","- C304 H360 F24 Fe8 N32 O24 S8 -","8","2","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.075","0.0625","","","0.1439","0.1514","","","","","","1.046","","","","has coordinates,has disorder","273120","2022-02-22","23:59:40",""
"7709592","17.3309","0.0005","20.9805","0.0006","23.0522","0.0007","90","","90","","90","","8382","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Fe N4 O -","- C41 H54 Fe N4 O -","- C328 H432 Fe8 N32 O8 -","8","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.077","0.0526","","","0.1123","0.1272","","","","","","1.028","","","","has coordinates","273120","2022-02-22","23:59:40",""
"7709593","11.9677","0.0019","11.7643","0.0017","30.947","0.004","90","","97.162","0.006","90","","4323.1","1.1","157","2","157","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Fe N4 O -","- C48 H60 Fe N4 O -","- C192 H240 Fe4 N16 O4 -","4","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","0.71073","MoKα","","0.093","0.0635","","","0.1522","0.1711","","","","","","1.048","","","","has coordinates,has disorder","273120","2022-02-22","23:59:40",""
"7709594","9.8764","0.0003","20.9524","0.0007","18.1496","0.0005","90","","102.712","0.002","90","","3663.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Cl Fe N4 O -","- C41 H55 Cl Fe N4 O -","- C164 H220 Cl4 Fe4 N16 O4 -","4","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.081","0.0631","","","0.1578","0.1732","","","","","","1.048","","","","has coordinates","273120","2022-02-22","23:59:40",""
"7709595","13.4458","0.0003","13.7445","0.0003","19.3806","0.0005","70.2161","0.0014","80.4435","0.0018","61.8637","0.0013","2971.89","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H70 Fe N4 -","- C68 H70 Fe N4 -","- C136 H140 Fe2 N8 -","2","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.0577","0.046","","","0.107","0.114","","","","","","1.018","","","","has coordinates,has disorder","273120","2022-02-22","23:59:40",""
"7709596","13.526","0.0004","11.4979","0.0003","29.9592","0.0009","90","","90","","90","","4659.3","0.2","302","","302","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga8 Na4 S14 -","- Ga8 Na4 S14 -","- Ga64 Na32 S112 -","8","1","","Luo, Ling; Wang, Linan; Bai, Chen; Zhou, Jiazheng; Wei, Lai; Su, Xin","Na4Ga8S14: A Ga-riched wide band gap ternary alkali-metal sulfide with unique [Ga12S42] 12-menbered rings","Dalton Transactions","2022","","","","","10.1039/D2DT00295G","","","0.71073","MoKα","","0.0404","0.0297","","","0.0522","0.0556","","","","","","1.073","","","","has coordinates","273133","2022-02-23","23:50:52",""
"7709597","15.388","0.0007","17.1596","0.0008","18.1761","0.0009","90","","94.562","0.002","90","","4784.2","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 K N6 O8 S2 Yb -","- C50 H50 K N6 O8 S2 Yb -","- C200 H200 K4 N24 O32 S8 Yb4 -","4","1","","Kovalenko, Anton; Tcelykh, Lyubov O.; Koshelev, Daniil; Vashchenko, Andrey A.; Tsymbarenko, Dmitry M.; Goloveshkin, Alexander S.; Aleksandrov, Aleksey; Burlov, Anatolii; Utochnikova, Valentina V.","Record efficiency of 1000 nm electroluminescence from a solution-processable host-free OLED","Dalton Transactions","2022","","","","","10.1039/D1DT04033B","","","0.71073","MoKα","","0.1136","0.0461","","","0.0903","0.1126","","","","","","1.009","","","","has coordinates,has disorder","273134","2022-02-23","23:52:04",""
"7709598","9.104","0.002","27.169","0.007","23.237","0.006","90","","90.797","0.005","90","","5747","2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 K N6 O9 S2 Yb -","- C56 H56 K N6 O9 S2 Yb -","- C224 H224 K4 N24 O36 S8 Yb4 -","4","1","","Kovalenko, Anton; Tcelykh, Lyubov O.; Koshelev, Daniil; Vashchenko, Andrey A.; Tsymbarenko, Dmitry M.; Goloveshkin, Alexander S.; Aleksandrov, Aleksey; Burlov, Anatolii; Utochnikova, Valentina V.","Record efficiency of 1000 nm electroluminescence from a solution-processable host-free OLED","Dalton Transactions","2022","","","","","10.1039/D1DT04033B","","","0.71073","MoKα","","0.0945","0.0816","","","0.209","0.2165","","","","","","1.205","","","","has coordinates,has disorder","273134","2022-02-23","23:52:06",""
"7709599","9.8353","0.0004","7.9969","0.0003","16.4742","0.0006","90","","97.011","0.004","90","","1286.04","0.09","296.67","0.1","296.67","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Br2 Cs2 In P S4 -","- Br2 Cs2 In P S4 -","- Br8 Cs8 In4 P4 S16 -","4","1","","Tang, Chunlan; Xing, Wen-Hao; Wang, Naizheng; Tang, Jian; Lin, Zheshuai; Wu, Jieyun; Yin, Wenlong; Bin, Kang","The synthesis and structure-property relation analysis of metal chalcohalide crystals Cs2InPS4X2 (X = Cl, Br) with mixed anions","Dalton Transactions","2022","","","","","10.1039/D2DT00078D","","x-ray","0.71073","MoKα","","0.0445","0.0263","","","0.0529","0.057","","","","","","1.07","","","","has coordinates","273135","2022-02-23","23:52:36",""
"7709600","9.5832","0.0004","7.7966","0.0003","16.4343","0.0006","90","","95.978","0.004","90","","1221.23","0.08","295.03","0.1","295.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl2 Cs2 In P S4 -","- Cl2 Cs2 In P S4 -","- Cl8 Cs8 In4 P4 S16 -","4","1","","Tang, Chunlan; Xing, Wen-Hao; Wang, Naizheng; Tang, Jian; Lin, Zheshuai; Wu, Jieyun; Yin, Wenlong; Bin, Kang","The synthesis and structure-property relation analysis of metal chalcohalide crystals Cs2InPS4X2 (X = Cl, Br) with mixed anions","Dalton Transactions","2022","","","","","10.1039/D2DT00078D","","x-ray","0.71073","MoKα","","0.0255","0.0221","","","0.0501","0.0511","","","","","","1.113","","","","has coordinates","273137","2022-02-23","23:53:02",""
"7709601","27.9125","0.0015","26.8494","0.0013","10.1473","0.0005","90","","97.654","0.004","90","","7537","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H46 Co3 N16 O14 -","- C48 H34 Co3 N14 O12 -","- C192 H136 Co12 N56 O48 -","4","0.5","","Yang, Ming-Xing; Chen, Lijuan; Gao, Jing; Gao, Yang; Yu, Guangtao; Lin, Shen","Three novel MOFs constructed from 1,3,5-Tris(1-imidazolyl)benzene and dicarboxylate ligands and the selective adsorption for C2H2/C2H4 and C2H6/CH4","Dalton Transactions","2022","","","","","10.1039/D1DT04149E","","","0.71073","MoKα","","0.0485","0.0443","","","0.1096","0.1125","","","","","","1.094","","","","has coordinates,has disorder","273150","2022-02-24","23:56:58",""
"7709602","11.0686","0.0004","15.4778","0.0004","17.4148","0.0002","64.292","0.004","81.548","0.007","89.247","0.007","2654.66","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Co3 N14 O14 -","- C36 H32 Co3 N10 O10 -","- C72 H64 Co6 N20 O20 -","2","1","","Yang, Ming-Xing; Chen, Lijuan; Gao, Jing; Gao, Yang; Yu, Guangtao; Lin, Shen","Three novel MOFs constructed from 1,3,5-Tris(1-imidazolyl)benzene and dicarboxylate ligands and the selective adsorption for C2H2/C2H4 and C2H6/CH4","Dalton Transactions","2022","","","","","10.1039/D1DT04149E","","","0.71073","MoKα","","0.0614","0.0552","","","0.1696","0.1758","","","","","","1.029","","","","has coordinates","273150","2022-02-24","23:56:59",""
"7709603","11.671","0.0018","15.111","0.002","20.142","0.003","88.674","0.004","75.755","0.003","79.393","0.005","3383.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 I2 N16 O12 Zn3 -","- C59 H46 I2 N14 O9 Zn3 -","- C118 H92 I4 N28 O18 Zn6 -","2","1","","Yang, Ming-Xing; Chen, Lijuan; Gao, Jing; Gao, Yang; Yu, Guangtao; Lin, Shen","Three novel MOFs constructed from 1,3,5-Tris(1-imidazolyl)benzene and dicarboxylate ligands and the selective adsorption for C2H2/C2H4 and C2H6/CH4","Dalton Transactions","2022","","","","","10.1039/D1DT04149E","","","0.71073","MoKα","","0.0421","0.0349","","","0.0934","0.0986","","","","","","1.01","","","","has coordinates","273150","2022-02-24","23:56:59",""
"7709604","14.5982","0.0006","23.6769","0.001","17.7661","0.0008","90","","101.349","0.002","90","","6020.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H54.5 Co4 N9.5 O16 -","- C57 H54.5 Co4 N9.5 O16 -","- C228 H218 Co16 N38 O64 -","4","1","","Srivastava, Ankit Kumar; Mondal, Arpan; Konar, Sanjit; Pal, Samudranil","A tetraCo(II/III) complex with an open cubane Co4O4 core and square-pyramidal Co(II) and octahedral Co(III) centres: bifunctional electrocatalytic activity towards water splitting at neutral pH","Dalton Transactions","2022","","","","","10.1039/D1DT04086C","","","0.71073","MoKα","","0.0659","0.054","","","0.1431","0.1542","","","","","","1.05","","","","has coordinates","273170","2022-02-25","23:51:55",""
"7709605","12.5784","0.0004","5.2311","0.0001","19.7962","0.0007","90","","105.161","0.003","90","","1257.23","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O2 S -","- C14 H11 N3 O2 S -","- C56 H44 N12 O8 S4 -","4","1","","Plyuta, Nataliya; Petrusenko, Svitlana R.; Kokozay, Vladimir; Cauchy, Thomas; Lloret, Francesc; Julve, Miguel; Cano, Joan; Avarvari, Narcis","Field-induced mononuclear cobalt(II) single-molecule magnet (SMM) based on a benzothiadiazole-ortho-vanillin ligand","Dalton Transactions","2022","","","","","10.1039/D1DT04274B","","","1.54184","CuKα","","0.0342","0.0293","","","0.0736","0.0767","","","","","","1.051","","","","has coordinates","273171","2022-02-25","23:52:29",""
"7709606","11.0894","0.0007","12.3519","0.0008","13.0378","0.0008","90.231","0.005","111.019","0.006","114.765","0.006","1488.4","0.2","149.3","0.4","149.3","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Cl2 Co N6 O4 S2 -","- C29 H22 Cl2 Co N6 O4 S2 -","- C58 H44 Cl4 Co2 N12 O8 S4 -","2","1","","Plyuta, Nataliya; Petrusenko, Svitlana R.; Kokozay, Vladimir; Cauchy, Thomas; Lloret, Francesc; Julve, Miguel; Cano, Joan; Avarvari, Narcis","Field-induced mononuclear cobalt(II) single-molecule magnet (SMM) based on a benzothiadiazole-ortho-vanillin ligand","Dalton Transactions","2022","","","","","10.1039/D1DT04274B","","","1.54184","CuKα","","0.0964","0.0734","","","0.1852","0.2075","","","","","","1.028","","","","has coordinates","273171","2022-02-25","23:52:30",""
"7709607","11.0496","0.0007","11.2003","0.0007","19.9634","0.0013","76.132","0.005","83.514","0.005","61.578","0.005","2109.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Al(N(C6F5)2)3 x CNtBu","","- C41 H9 Al F30 N4 -","- C41 H9 Al F30 N4 -","- C82 H18 Al2 F60 N8 -","2","1","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0534","0.038","","","0.0978","0.1044","","","","","","1.038","","","","has coordinates,has disorder","273172","2022-02-25","23:53:53",""
"7709608","17.1941","0.0007","12.3834","0.0003","21.3791","0.0007","90","","102.734","0.003","90","","4440.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ga(N(C6F5)2)3 x THF","","- C47 H16 F30 Ga N3 O -","- C47 H16 F30 Ga N3 O -","- C188 H64 F120 Ga4 N12 O4 -","4","1","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0565","0.0294","","","0.0555","0.0592","","","","","","0.805","","","","has coordinates","273172","2022-02-25","23:53:54",""
"7709609","13.1449","0.0005","13.1449","0.0005","86.201","0.004","90","","90","","120","","12899","0.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Ga(N(C6F5)2)3 x PMe3","","- C42.57 H13.08 F30 Ga N3 P -","- C42.57 H13.08 F30 Ga N3 P -","- C510.84 H156.96 F360 Ga12 N36 P12 -","12","0.333333","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0877","0.0358","","","0.0639","0.0759","","","","","","0.927","","","","has coordinates,has disorder","273172","2022-02-25","23:53:54",""
"7709610","11.0023","0.0004","11.1257","0.0005","19.8025","0.0008","76.581","0.003","83.893","0.003","61.802","0.003","2077.97","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ga(N(C6F5)2)3 x CNtBu","","- C41 H9 F30 Ga N4 -","- C41 H9 F30 Ga N4 -","- C82 H18 F60 Ga2 N8 -","2","1","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0565","0.0323","","","0.0571","0.061","","","","","","0.86","","","","has coordinates,has disorder","273172","2022-02-25","23:53:54",""
"7709611","11.5512","0.0014","13.7744","0.0015","14.3749","0.0017","84.728","0.013","71.409","0.014","71.218","0.013","2052.3","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","Al(N(C6F5)2)3 x MeCN","","- C83 H14 Al2 F60 N8 -","- C83 H14 Al2 F60 N8 -","- C83 H14 Al2 F60 N8 -","1","0.5","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.0582","0.0398","","","0.1025","0.1104","","","","","","1.013","","","","has coordinates,has disorder","273172","2022-02-25","23:53:54",""
"7709612","11.51","0.0018","13.793","0.002","14.2825","0.0019","84.719","0.011","71.532","0.011","71.5","0.011","2039.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ga(N(C6F5)2)3 x MeCN","","- C83 H14 F60 Ga2 N8 -","- C83 H14 F60 Ga2 N8 -","- C83 H14 F60 Ga2 N8 -","1","0.5","","Kögel, Julius F; Sorokin, Denis A.; Scott, Martin; Harms, Klaus; Himmel, Daniel; Krossing, Ingo; Sundermeyer, Jörg","Lewis Acid-Base Adducts of Al(N(C6F5)2)3 and Ga(N(C6F5)2)3 – Structural Features and Adduct Formation Enthalpies","Dalton Transactions","2022","","","","","10.1039/D2DT00003B","","","0.71073","MoKα","","0.1165","0.0504","","","0.1083","0.1239","","","","","","0.741","","","","has coordinates,has disorder","273172","2022-02-25","23:53:55",""
"7709613","15.276","0.003","15.276","0.003","12.183","0.002","90","","90","","120","","2462.1","0.8","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C31 H39 Al I2 N2 -","- C31 H39 Al I2 N2 -","- C93 H117 Al3 I6 N6 -","3","0.5","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0164","0.0157","","","0.0365","0.0369","","","","","","1.061","","","","has coordinates","273183","2022-02-28","23:48:58",""
"7709614","14.553","0.003","11.34","0.002","12.589","0.002","90","","119.16","0.02","90","","1814.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 Cl2 Ga N2 -","- C15 H23 Cl2 Ga N2 -","- C60 H92 Cl8 Ga4 N8 -","4","0.5","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0217","0.0208","","","0.0531","0.0538","","","","","","1.081","","","","has coordinates,has disorder","273183","2022-02-28","23:48:59",""
"7709615","23.069","0.003","8.896","0.002","17.634","0.002","90","","114.36","0.02","90","","3296.7","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cl2 Ga2 N4 -","- C30 H46 Cl2 Ga2 N4 -","- C120 H184 Cl8 Ga8 N16 -","4","0.5","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0409","0.0337","","","0.0768","0.0797","","","","","","1.114","","","","has coordinates","273183","2022-02-28","23:48:59",""
"7709616","8.412","0.002","15.856","0.003","15.903","0.003","90","","90","","90","","2121.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl4 Ga N2 -","- C15 H25 Cl4 Ga N2 -","- C60 H100 Cl16 Ga4 N8 -","4","1","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0182","0.0175","","","0.0429","0.043","","","","","","1.025","","","","has coordinates","273183","2022-02-28","23:48:59",""
"7709617","14.825","0.002","10.706","0.002","22.175","0.003","90","","93.54","0.02","90","","3512.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H94 Al2 I2 N4 -","- C76 H94 Al2 I2 N4 -","- C152 H188 Al4 I4 N8 -","2","0.5","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.024","0.0225","","","0.059","0.0598","","","","","","1.075","","","","has coordinates","273183","2022-02-28","23:48:59",""
"7709618","10.91549","0.00004","9.33603","0.00004","13.28373","0.00005","90","","98.2296","0.0003","90","","1339.77","0.009","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C28 H29 I N2 O2 Ru S -","- C28 H29 I N2 O2 Ru S -","- C56 H58 I2 N4 O4 Ru2 S2 -","2","1","","Chen, Feng; Romero-Canelón, Isolda; Habtemariam, Abraha; Song, Ji-Inn; Banerjee, Samya; Clarkson, Guy J.; Song, Lijiang; Prokes, Ivan; Sadler, Peter J.","Effect of cysteine thiols on the catalytic and anticancer activity of Ru(ii) sulfonyl-ethylenediamine complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03856G","","x-ray","1.54184","CuKα","","0.0168","0.0168","","","0.0425","0.0426","","","","","","1.066","","","","has coordinates","273184","2022-02-28","23:49:40",""
"7709619","16.587","0.001","17.269","0.002","17.219","0.002","90","","94.564","0.003","90","","4916.6","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 I16 N8 -","- C16 H32 I16 N8 -","- C64 H128 I64 N32 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; Bianchi, Antonio","Novel Cyclen-Polyiodide Complexes: A Reappraisal of I-I Covalent and Secondary Bond Limits","Dalton Transactions","2022","","","","","10.1039/D2DT00185C","","","0.71073","MoKα","","0.0784","0.0462","","","0.0797","0.0924","","","","","","1.022","","","","has coordinates","273185","2022-02-28","23:50:24",""
"7709620","9.5774","0.0003","14.6567","0.0005","13.1889","0.0005","90","","94.86","0.001","90","","1844.71","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 I4 N4 -","- C8 H21 I4 N4 -","- C32 H84 I16 N16 -","4","1","","Savastano, Matteo; Bazzicalupi, Carla; Bianchi, Antonio","Novel Cyclen-Polyiodide Complexes: A Reappraisal of I-I Covalent and Secondary Bond Limits","Dalton Transactions","2022","","","","","10.1039/D2DT00185C","","","0.71073","MoKα","","0.0541","0.0432","","","0.0942","0.0986","","","","","","1.132","","","","has coordinates","273185","2022-02-28","23:50:24",""
"7709621","8.1855","0.0007","9.5209","0.0008","11.2944","0.001","98.367","0.005","99.729","0.005","101.09","0.006","836.81","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[europium(II)bis(μ~2~-N,N-dimethylformamide)bis(μ~2~-trifluoroacetato)]","","- C10 H14 Eu F6 N2 O6 -","- C10 H14 Eu F6 N2 O6 -","- C20 H28 Eu2 F12 N4 O12 -","2","1","","Morsbach, Florian; Klenner, Steffen; Pöttgen, Rainer; Frank, Walter","Oxidation of europium with ammonium perfluorocarboxylates in liquid ammonia: Pathways to europium(II) carboxylates and hexanuclear europium(III) fluoridocarboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04204A","","","0.71073","MoKα","","0.0868","0.0453","","","0.0902","0.1032","","","","","","1.038","","","","has coordinates,has disorder","273196","2022-03-01","23:54:16",""
"7709622","12.0562","0.0004","25.5991","0.0008","27.1945","0.0009","90","","95.521","0.003","90","","8354","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(ammonium)[dodecakis(μ~2~-trifluoroacetato)hexakis(trifluoroacetic acid) octa(μ~3~-fluorido)hexaeuropium(III)]","","- C36 H14 Eu6 F62 N2 O36 -","- C36 H14 Eu6 F62 N2 O36 -","- C144 H56 Eu24 F248 N8 O144 -","4","1","","Morsbach, Florian; Klenner, Steffen; Pöttgen, Rainer; Frank, Walter","Oxidation of europium with ammonium perfluorocarboxylates in liquid ammonia: Pathways to europium(II) carboxylates and hexanuclear europium(III) fluoridocarboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04204A","","","0.71073","MoKα","","0.1114","0.0892","","","0.2293","0.2621","","","","","","1.038","","","","has coordinates,has disorder","273196","2022-03-01","23:54:16",""
"7709623","17.6214","0.0013","33.28","0.002","26.1987","0.0019","90","","91.721","0.004","90","","15357","1.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(ammonium)[dodecakis(μ~2~-pentafluoropropionato)hexakis(pentafluoro- propionic acid)octa(μ~3~-fluorido)hexaeuropium(III)]-pentafluoropropionic acid (1/8)'","","- C78 H22 Eu6 F138 N2 O52 -","- C78 H22 Eu6 F138 N2 O52 -","- C312 H88 Eu24 F552 N8 O208 -","4","1","","Morsbach, Florian; Klenner, Steffen; Pöttgen, Rainer; Frank, Walter","Oxidation of europium with ammonium perfluorocarboxylates in liquid ammonia: Pathways to europium(II) carboxylates and hexanuclear europium(III) fluoridocarboxylate complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04204A","","","0.71073","MoKα","","0.0555","0.0394","","","0.0777","0.0874","","","","","","1.065","","","","has coordinates,has disorder","273196","2022-03-01","23:54:17",""
"7709624","9.7472","0.0001","18.762","0.0002","20.453","0.0002","89.8","0.001","82.547","0.001","83.188","0.001","3682.33","0.07","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Mo16 N48 O40 -","- C32 H48 Mo16 N48 O40 -","- C32 H48 Mo16 N48 O40 -","1","0.5","","Deng, Lan; Lin, Rong-Yan; Zhou, Zhao-Hui","Isolated molybdenum-based microporous POMs for selective adsorption of gases","Dalton Transactions","2022","","","","","10.1039/D2DT00134A","","x-ray","1.54184","CuKα","","0.0514","0.0501","","","0.1393","0.1404","","","","","","1.031","","","","has coordinates","273197","2022-03-01","23:55:13",""
"7709625","17.2669","0.0002","20.0855","0.0003","19.2031","0.0003","90","","98.753","0.001","90","","6582.35","0.16","99.8","0.8","99.8","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Mo12 N24 O28 -","- C16 H20 Mo12 N24 O28 -","- C64 H80 Mo48 N96 O112 -","4","1","","Deng, Lan; Lin, Rong-Yan; Zhou, Zhao-Hui","Isolated molybdenum-based microporous POMs for selective adsorption of gases","Dalton Transactions","2022","","","","","10.1039/D2DT00134A","","x-ray","1.54184","CuKα","","0.044","0.04","","","0.1057","0.1087","","","","","","1.036","","","","has coordinates","273197","2022-03-01","23:55:13",""
"7709626","20.8003","0.0002","20.8003","0.0002","26.713","0.0005","90","","90","","90","","11557.4","0.3","99.9","0.8","99.9","0.8","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H20 Mo12 N24 O28 -","- C16 H20 Mo12 N24 O28 -","- C64 H80 Mo48 N96 O112 -","4","0.25","","Deng, Lan; Lin, Rong-Yan; Zhou, Zhao-Hui","Isolated molybdenum-based microporous POMs for selective adsorption of gases","Dalton Transactions","2022","","","","","10.1039/D2DT00134A","","x-ray","1.54184","CuKα","","0.0526","0.0439","","","0.1259","0.1312","","","","","","1.04","","","","has coordinates","273197","2022-03-01","23:55:13",""
"7709627","13.5876","0.0001","19.1998","0.0002","21.9901","0.0002","72.492","0.001","79.117","0.001","85.713","0.001","5371.62","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mo16 N36 O38 -","- C24 H32 Mo16 N36 O38 -","- C48 H64 Mo32 N72 O76 -","2","1","","Deng, Lan; Lin, Rong-Yan; Zhou, Zhao-Hui","Isolated molybdenum-based microporous POMs for selective adsorption of gases","Dalton Transactions","2022","","","","","10.1039/D2DT00134A","","x-ray","1.54184","CuKα","","0.0617","0.0556","","","0.137","0.1424","","","","","","1.11","","","","has coordinates","273197","2022-03-01","23:55:14",""
"7709628","11.0306","0.0006","5.4848","0.0003","13.9759","0.0007","90","","91.922","0.003","90","","845.08","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Gupta, Gajendra; Kim, Miyeon; Singh, Neetu; Lee, Junseong; Lee, Chang Yeon","Pyrene and porphyrin-based Zn metal 1-D-polymer: synthesis, molecular structure, and photocatalytic property","Dalton Transactions","2022","","","","","10.1039/D2DT00299J","","","0.71073","MoKα","","0.0624","0.0417","","","0.1132","0.1282","","","","","","1.037","","","","has coordinates","273211","2022-03-02","23:50:57",""
"7709629","15.2278","0.0013","20.3428","0.0014","20.3837","0.0019","90","","110.889","0.006","90","","5899.4","0.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H102 N16 O4 Zn2 -","- C152 H102 N16 O4 Zn2 -","- C304 H204 N32 O8 Zn4 -","2","0.25","","Gupta, Gajendra; Kim, Miyeon; Singh, Neetu; Lee, Junseong; Lee, Chang Yeon","Pyrene and porphyrin-based Zn metal 1-D-polymer: synthesis, molecular structure, and photocatalytic property","Dalton Transactions","2022","","","","","10.1039/D2DT00299J","","","0.71073","MoKα","","0.172","0.1412","","","0.3535","0.3713","","","","","","1.081","","","","has coordinates,has disorder","273211","2022-03-02","23:51:01",""
"7709630","16.103","0.003","8.187","0.0011","15.934","0.003","90","","111.98","0.02","90","","1948","0.6","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F2 N6 O4 Zn -","- C18 H12 F2 N6 O4 Zn -","- C72 H48 F8 N24 O16 Zn4 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin","Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents","Dalton Transactions","2022","","","","","10.1039/D1DT04070G","","x-ray","0.71073","MoKα","","0.1458","0.0639","","","0.1178","0.1545","","","","","","1.009","","","","has coordinates","273212","2022-03-02","23:52:18",""
"7709631","9.3416","0.0012","11.2656","0.0015","12.8923","0.0017","107.595","0.012","107.564","0.012","102.307","0.011","1161.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F2 N7 O5 Zn -","- C23 H17 F2 N7 O5 Zn -","- C46 H34 F4 N14 O10 Zn2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin","Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents","Dalton Transactions","2022","","","","","10.1039/D1DT04070G","","x-ray","0.71073","MoKα","","0.0678","0.0465","","","0.1054","0.1173","","","","","","1.065","","","","has coordinates","273212","2022-03-02","23:53:42",""
"7709632","9.5983","0.0004","11.3429","0.0006","12.5297","0.0006","105.715","0.004","95.658","0.004","110.128","0.004","1204.87","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 F2 N7 O6 Zn -","- C20 H21 F2 N7 O6 Zn -","- C40 H42 F4 N14 O12 Zn2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin","Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents","Dalton Transactions","2022","","","","","10.1039/D1DT04070G","","x-ray","0.71073","MoKα","","0.0613","0.043","","","0.0855","0.0939","","","","","","1.031","","","","has coordinates","273212","2022-03-02","23:53:49",""
"7709633","8.9142","0.0019","8.956","0.002","13.328","0.003","81.183","0.019","73.21","0.019","67.59","0.02","940.6","0.4","228","2","228","60","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 F2 N6 O4 Zn -","- C20 H12 F2 N6 O4 Zn -","- C40 H24 F4 N12 O8 Zn2 -","2","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin","Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents","Dalton Transactions","2022","","","","","10.1039/D1DT04070G","","x-ray","0.71073","MoKα","","0.1502","0.0738","","","0.1082","0.1357","","","","","","1.009","","","","has coordinates","273212","2022-03-02","23:55:18",""
"7709634","9.9216","0.0007","10.1928","0.0007","13.1745","0.0009","75.27","0.002","79.492","0.002","75.665","0.002","1238.24","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Mn N2 O6 -","- C30 H20 Mn N2 O6 -","- C60 H40 Mn2 N4 O12 -","2","1","","Wang, Ai; Yang, Bin; Wang, Yan; Hu, Zijia; Wei, Zhihong; Zhu, Miaoli; Englert, Ulli","Structure, magnetic properties and spin density of two alternative Mn(II) coordination polymers based on 1,4-bis(2'-carboxyphenoxy)benzene","Dalton Transactions","2022","","","","","10.1039/D1DT04240H","","","0.71073","","","0.09","0.0478","","","0.0986","0.1124","","","","","","1.002","","","","has coordinates","273292","2022-03-03","23:57:56",""
"7709635","19.1662","0.0018","12.1445","0.0011","23.566","0.002","90","","107.82","0.002","90","","5222.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Mn2 N4 O13 -","- C60 H42 Mn2 N4 O13 -","- C240 H168 Mn8 N16 O52 -","4","1","","Wang, Ai; Yang, Bin; Wang, Yan; Hu, Zijia; Wei, Zhihong; Zhu, Miaoli; Englert, Ulli","Structure, magnetic properties and spin density of two alternative Mn(II) coordination polymers based on 1,4-bis(2'-carboxyphenoxy)benzene","Dalton Transactions","2022","","","","","10.1039/D1DT04240H","","","0.71073","MoKα","","0.1176","0.0471","","","0.0827","0.1048","","","","","","0.973","","","","has coordinates","273292","2022-03-03","23:57:57",""
"7709636","5.827","0.0002","10.1224","0.0003","11.5866","0.0003","109.654","0.001","99.346","0.002","97.107","0.002","623.25","0.03","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O4 S -","- C12 H11 N O4 S -","- C24 H22 N2 O8 S2 -","2","1","","Barth, Marie-Christin; Lange, Stefanie; Haefner, Norman; Ueberschaar, Nico; Görls, Helmar; Runnebaum, Ingo B.; Weigand, Wolfgang","Synthesis and characterization of thiocarbonato-linked platinum(IV) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00318J","","","0.71073","MoKα","","0.0635","0.0486","","","0.0903","0.098","","","","","","1.031","","","","has coordinates","273293","2022-03-03","23:58:22",""
"7709637","8.9565","0.0004","10.4887","0.0005","13.7458","0.0007","79.917","0.002","89.741","0.002","82.49","0.002","1260.24","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H44 B12 N2 O2 -","- C14 H44 B12 N2 O2 -","- C28 H88 B24 N4 O4 -","2","1","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","0.71073","MoKα","","0.1119","0.053","","","0.1098","0.132","","","","","","0.967","","","","has coordinates","273343","2022-03-04","10:40:04",""
"7709638","8.5596","0.0002","21.4218","0.0004","15.3224","0.0003","90","","93.2185","0.0008","90","","2805.11","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H48 B12 N4 O4 -","- C17 H48 B12 N4 O4 -","- C68 H192 B48 N16 O16 -","4","1","","Laskova, Julia; Ananiev, Ivan; Kosenko, Irina; Serdyukov, Alexander; Stogniy, Marina; Sivaev, Igor; Grin, Mikhail; Semioshkin, Andrey; Bregadze, Vladimir I.","Nucleophilic addition reactions to nitrilium derivatives [B<sub>12</sub>H<sub>11</sub>NCCH<sub>3</sub>]<sup>-</sup> and [B<sub>12</sub>H<sub>11</sub>NCCH<sub>2</sub>CH<sub>3</sub>]<sup>-</sup>. Synthesis and structures of <i>closo</i>-dodecaborate-based iminols, amides and amidines.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3051","3059","10.1039/d1dt04174f","","","0.71073","MoKα","","0.0974","0.0482","","","0.128","0.1402","","","","","","1.01","","","","has coordinates,has disorder","273343","2022-03-04","10:40:08",""
"7709639","12.232","0.0001","12.232","0.0001","47.2452","0.0006","90","","90","","90","","7068.91","0.12","130.01","0.1","130.01","0.1","","","","","","","","6","P 43","P 4cw","78","","Bis[2,2':6',2''-terpyridine]iron(II) diperchlorate bis-acetonitrile solvate","","- C34 H28 Cl2 Fe N8 O8 -","- C34 H28 Cl2 Fe N8 O8 -","- C272 H224 Cl16 Fe8 N64 O64 -","8","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.055","0.0514","","","0.1258","0.1289","","","","","","1.024","","","","has coordinates,has disorder","273443","2022-03-04","23:49:26",""
"7709640","11.9689","0.0002","12.0094","0.0001","16.2339","0.0002","90","","94.775","0.001","90","","2325.35","0.05","125","0.1","125","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis((S)-4-phenyl-4,5-dihydroxazol-2-yl)pyridine]iron(II) diperchlorate nitromethane solvate","","- C47 H41 Cl2 Fe N7 O12 S2 -","- C47 H41 Cl2 Fe N7 O12 S2 -","- C94 H82 Cl4 Fe2 N14 O24 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.038","0.0359","","","0.0901","0.092","","","","","","1.025","","","","has coordinates,has disorder","273443","2022-03-04","23:49:27",""
"7709641","11.3515","0.0001","18.6328","0.0003","20.5925","0.0003","90","","102.246","0.001","90","","4256.42","0.1","130.01","0.1","130.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis((R)-4-isopropyl-4,5-dihydroxazol-2-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C36 H49 Cl2 Fe N7 O10 S2 -","- C36 H49 Cl2 Fe N7 O10 S2 -","- C144 H196 Cl8 Fe4 N28 O40 S8 -","4","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0608","0.0586","","","0.1545","0.1571","","","","","","1.033","","","","has coordinates,has disorder","287933","2023-12-01","14:27:53",""
"7709642","10.131","0.0005","19.1776","0.001","19.2647","0.001","90","","90","","90","","3742.9","0.3","120.02","0.16","120.02","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]-[2,6-bis(1H-benzimidazol-2-yl)pyridine]iron(II) diperchlorate","","- C36 H36 Cl2 Fe N8 O10 -","- C36 H36 Cl2 Fe N8 O10 -","- C144 H144 Cl8 Fe4 N32 O40 -","4","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.055","0.0533","","","0.1396","0.1426","","","","","","1.044","","","","has coordinates,has disorder","273443","2022-03-04","23:49:27",""
"7709643","9.0025","0.0003","24.0613","0.0009","11.255","0.0005","90","","106.649","0.004","90","","2335.76","0.16","130","0.1","130","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrothiazol-2-yl)pyridine]-[2,6-bis(1H-benzimidazol-2-yl)pyridine]iron(II) diperchlorateacetonitrile diethyl ether solvate","","- C42 H49 Cl2 Fe N9 O9 S2 -","- C42 H49 Cl2 Fe N9 O9 S2 -","- C84 H98 Cl4 Fe2 N18 O18 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.069","0.0522","","","0.1197","0.1322","","","","","","1.058","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709644","9.9525","0.0001","18.2692","0.0001","11.2555","0.0001","90","","90.601","0.001","90","","2046.41","0.03","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]- [2,6-Bis(benzimidazol-2-yl)pyridine]iron(II) diperchlorate","","","- C42 H32 Cl2 Fe N8 O8 S2 -","- C42 H32 Cl2 Fe N8 O8 S2 -","- C84 H64 Cl4 Fe2 N16 O16 S4 -","2","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","","0.6889","","","0.0315","0.0289","","","0.0726","0.0735","","","","","","1.039","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709645","8.8452","0.0001","20.3285","0.0003","22.9238","0.0004","90","","90","","90","","4121.92","0.11","130","0.1","130","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]-[2,6-di(pyrazol-1-yl)pyridine]iron(II) diperchlorateacetonitrile solvate","","- C38 H34 Cl2 Fe N10 O8 S2 -","- C38 H34 Cl2 Fe N10 O8 S2 -","- C152 H136 Cl8 Fe4 N40 O32 S8 -","4","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0504","0.0412","","","0.0903","0.0945","","","","","","1.031","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709646","10.6379","0.0001","10.6379","0.0001","73.8154","0.0008","90","","90","","90","","8353.31","0.14","130","0.1","130","0.1","","","","","","","","6","P 41","P 4w","76","","[2,6-Bis((R)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine]- [2,6-Bis(benzimidazol-2-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C44 H35 Cl2 Fe N9 O10 -","- C44 H35 Cl2 Fe N9 O10 -","- C352 H280 Cl16 Fe8 N72 O80 -","8","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0759","0.0706","","","0.1558","0.1585","","","","","","1.129","","","","has coordinates","273443","2022-03-04","23:49:28",""
"7709647","12.7559","0.0005","13.5242","0.0006","14.636","0.0004","105.698","0.003","97.442","0.003","115.579","0.004","2102.42","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40.75 H43 Cl3 Dy O4.75 P3 -","- C40.75 H43 Cl3 Dy O4.75 P3 -","- C81.5 H86 Cl6 Dy2 O9.5 P6 -","2","1","","Lin, Wei-Quan; Wang, Dan-Ru; Long, Wei-Jian; Lin, Li-Shan; Tao, Ze-Xian; Liu, Jun-Liang; Liu, Zhao-Qing; Leng, Ji-Dong","Stereoisomeric coordination polymers based on facial and meridional six-coordinate dysprosium(III)","Dalton Transactions","2022","","","","","10.1039/D2DT00334A","","x-ray","0.71073","MoKα","","0.0674","0.0499","","","0.109","0.1199","","","","","","1.057","","","","has coordinates,has disorder","273444","2022-03-04","23:50:56",""
"7709648","35.6799","0.0002","35.6799","0.0002","21.4215","0.0001","90","","90","","120","","23617.2","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C156 H144 Cl12 Dy4 O12 P12 -","- C156 H144 Cl12 Dy4 O12 P12 -","- C936 H864 Cl72 Dy24 O72 P72 -","6","0.333333","","Lin, Wei-Quan; Wang, Dan-Ru; Long, Wei-Jian; Lin, Li-Shan; Tao, Ze-Xian; Liu, Jun-Liang; Liu, Zhao-Qing; Leng, Ji-Dong","Stereoisomeric coordination polymers based on facial and meridional six-coordinate dysprosium(III)","Dalton Transactions","2022","","","","","10.1039/D2DT00334A","","x-ray","1.54184","CuKα","","0.051","0.0495","","","0.1191","0.12","","","","","","1.051","","","","has coordinates","273444","2022-03-04","23:50:57",""
"7709649","11.9254","0.0001","12.0637","0.0001","15.1295","0.0001","96.832","0.001","98.582","0.001","115.438","0.001","1902.29","0.03","100","0.1","100","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl3 Dy O3 P3 -","- C39 H36 Cl3 Dy O3 P3 -","- C78 H72 Cl6 Dy2 O6 P6 -","2","1","","Lin, Wei-Quan; Wang, Dan-Ru; Long, Wei-Jian; Lin, Li-Shan; Tao, Ze-Xian; Liu, Jun-Liang; Liu, Zhao-Qing; Leng, Ji-Dong","Stereoisomeric coordination polymers based on facial and meridional six-coordinate dysprosium(III)","Dalton Transactions","2022","","","","","10.1039/D2DT00334A","","x-ray","1.54184","CuKα","","0.0339","0.0313","","","0.0843","0.0865","","","","","","1.061","","","","has coordinates","273444","2022-03-04","23:50:57",""
"7709650","33.9797","0.0007","15.7885","0.0004","13.0676","0.0003","90","","90","","90","","7010.6","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C28 H52 B Cl O5 P4 Rh -","- C28 H52 B Cl O5 P4 Rh -","- C224 H416 B8 Cl8 O40 P32 Rh8 -","8","2","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","","1.54184","CuKα","","0.0746","0.068","","","0.1889","0.1987","","","","","","1.055","","","","has coordinates","273445","2022-03-04","23:57:20",""
"7709651","34.9213","0.0018","34.9213","0.0018","11.6219","0.0008","90","","90","","120","","12274.1","1.2","100","2","100","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C18 H42 B2 Cl O4 P2 Rh -","- C18 H42 B2 Cl O4 P2 Rh -","- C324 H756 B36 Cl18 O72 P36 Rh18 -","18","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","1.54184","CuKα","","0.0717","0.0654","","","0.1678","0.1767","","","","","","1.053","","","","has coordinates","273445","2022-03-04","23:57:20",""
"7709652","14.8031","0.0004","26.6122","0.0008","17.8342","0.0004","90","","95.991","0.002","90","","6987.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 B3 F24 O5 P4 Rh -","- C60 H72 B3 F24 O5 P4 Rh -","- C240 H288 B12 F96 O20 P16 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.049","0.0383","","","0.0877","0.0916","","","","","","1.014","","","","has coordinates,has disorder","273445","2022-03-04","23:57:20",""
"7709653","21.7869","0.0007","13.4146","0.0003","24.8701","0.0008","90","","113.69","0.004","90","","6656.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 B3 F24 O4 P4 Rh -","- C56 H72 B3 F24 O4 P4 Rh -","- C224 H288 B12 F96 O16 P16 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0728","0.058","","","0.1274","0.1323","","","","","","1.129","","","","has coordinates,has disorder","273445","2022-03-04","23:57:20",""
"7709654","8.9802","0.0001","32.0928","0.0006","9.3574","0.0002","90","","92.003","0.002","90","","2695.15","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 B2 Cl O4 P3 Rh -","- C21 H35 B2 Cl O4 P3 Rh -","- C84 H140 B8 Cl4 O16 P12 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0323","0.0289","","","0.0732","0.0745","","","","","","1.172","","","","has coordinates","273445","2022-03-04","23:57:20",""
"7709655","18.0677","0.0003","13.961","0.0002","25.9822","0.0004","90","","99.739","0.002","90","","6459.38","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 B3 F24 N O4 P3 Rh -","- C55 H58 B3 F24 N O4 P3 Rh -","- C220 H232 B12 F96 N4 O16 P12 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0629","0.0428","","","0.1042","0.1128","","","","","","1.035","","","","has coordinates","273445","2022-03-04","23:57:21",""
"7709656","34.7954","0.0011","13.291","0.0004","13.5036","0.0004","90","","90","","90","","6245","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H47 B2 Cl O4.5 P3 Rh -","- C23 H47 B2 Cl O4.5 P3 Rh -","- C184 H376 B16 Cl8 O36 P24 Rh8 -","8","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.061","0.0383","","","0.082","0.0913","","","","","","1.028","","","","has coordinates,has disorder","273445","2022-03-04","23:57:21",""
"7709657","13.0318","0.0003","13.3464","0.0003","20.4288","0.0005","79.347","0.002","86.005","0.002","83.375","0.002","3464.32","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H64 B3 F24 O4 P4 Rh -","- C63 H64 B3 F24 O4 P4 Rh -","- C126 H128 B6 F48 O8 P8 Rh2 -","2","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0598","0.0526","","","0.1351","0.1392","","","","","","1.051","","","","has coordinates","273445","2022-03-04","23:57:21",""
"7709658","11.2915","0.0002","21.8994","0.0004","23.4243","0.0005","90","","95.632","0.002","90","","5764.33","0.19","102","2","102","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H59.2 B2 Cl8 O4 P2 Rh -","- C51 H51 B2 Cl7 O4 P2 Rh -","- C204 H204 B8 Cl28 O16 P8 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","","0.71073","MoKα","","0.0471","0.0375","","","0.0802","0.0839","","","","","","1.083","","","","has coordinates,has disorder","273445","2022-03-04","23:57:21",""
"7709659","20.9665","0.0003","13.5826","0.0001","26.3739","0.0004","90","","112.321","0.002","90","","6947.97","0.18","105","2","105","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59.47 H67.89 B3 F24 N O4.53 P3 Rh -","- C59.473 H67.892 B3 F24 N O4.527 P3 Rh -","- C237.892 H271.568 B12 F96 N4 O18.108 P12 Rh4 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0504","0.0371","","","0.0948","0.0999","","","","","","1.042","","","","has coordinates,has disorder","273445","2022-03-04","23:57:21",""
"7709660","17.6266","0.0002","19.1196","0.0002","19.369","0.0002","60.968","0.001","85.334","0.001","85.987","0.001","5685.01","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H46.5 B2 Cl O4 P2.5 Rh -","- C19.5 H46.5 B2 Cl O4 P2.5 Rh -","- C156 H372 B16 Cl8 O32 P20 Rh8 -","8","4","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0344","0.0254","","","0.0574","0.0593","","","","","","1.057","","","","has coordinates","273445","2022-03-04","23:57:21",""
"7709661","32.6373","0.0002","9.7784","0.0001","22.3405","0.0002","90","","90.123","0.001","90","","7129.74","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H59 B2 Cl O4 P3 Rh -","- C28 H59 B2 Cl O4 P3 Rh -","- C224 H472 B16 Cl8 O32 P24 Rh8 -","8","1","","Drescher, Wiebke; Kleeberg, Christian","Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study","Dalton Transactions","2022","","","","","10.1039/D1DT04276A","","x-ray","0.71073","MoKα","","0.0226","0.0186","","","0.0447","0.0456","","","","","","1.042","","","","has coordinates","273445","2022-03-04","23:57:21",""
"7709662","11.3662","0.0006","14.8698","0.0011","12.1278","0.0007","90","","91.647","0.005","90","","2048.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N4 P -","- C25 H19 N4 P -","- C100 H76 N16 P4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0832","0.0591","","","0.1421","0.1651","","","","","","1.032","","","","has coordinates","273465","2022-03-05","23:54:27",""
"7709663","10.2657","0.0006","9.5652","0.0005","16.3406","0.0011","90","","104.332","0.007","90","","1554.6","0.17","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C37 H28 N4 P2 -","- C37 H28 N4 P2 -","- C74 H56 N8 P4 -","2","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0696","0.0583","","","0.1356","0.1441","","","","","","1.036","","","","has coordinates","273465","2022-03-05","23:54:36",""
"7709664","9.5772","0.0003","10.3094","0.0004","21.5985","0.0008","90","","90","","90","","2132.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N4 P -","- C25 H18 Br N4 P -","- C100 H72 Br4 N16 P4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0626","0.0489","","","0.1115","0.1204","","","","","","1.031","","","","has coordinates","273465","2022-03-05","23:54:39",""
"7709665","8.7355","0.0004","9.3623","0.0004","12.7655","0.0005","83.817","0.003","74.007","0.004","81.161","0.004","989.34","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N4 P -","- C25 H19 N4 P -","- C50 H38 N8 P2 -","2","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0969","0.0573","","","0.1135","0.1327","","","","","","1.05","","","","has coordinates","273465","2022-03-05","23:54:40",""
"7709666","14.8422","0.0003","12.0763","0.0002","18.5323","0.0005","90","","113.472","0.003","90","","3046.85","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 N4 P2 -","- C37 H28 N4 P2 -","- C148 H112 N16 P8 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","","0.71073","MoKα","","0.0587","0.0463","","","0.1085","0.1159","","","","","","1.023","","","","has coordinates","273465","2022-03-05","23:54:41",""
"7709667","10.8732","0.0003","8.7056","0.0002","28.1056","0.0006","90","","94.164","0.002","90","","2653.39","0.11","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl4 N4 P Pt -","- C26 H21 Cl4 N4 P Pt -","- C104 H84 Cl16 N16 P4 Pt4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0272","0.0222","","","0.0477","0.0494","","","","","","1.016","","","","has coordinates","273465","2022-03-05","23:54:44",""
"7709668","10.8739","0.0004","8.6646","0.0003","28.187","0.0008","90","","94.066","0.003","90","","2649.04","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl4 N4 P Pd -","- C26 H21 Cl4 N4 P Pd -","- C104 H84 Cl16 N16 P4 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0527","0.0387","","","0.0752","0.0832","","","","","","1.046","","","","has coordinates","273465","2022-03-05","23:54:45",""
"7709669","16.1762","0.0006","8.8589","0.0002","18.792","0.0005","90","","103.65","0.003","90","","2616.89","0.14","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cl4 N4 P Pd -","- C26 H19 Cl4 N4 P Pd -","- C104 H76 Cl16 N16 P4 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0697","0.0475","","","0.0955","0.1084","","","","","","1.048","","","","has coordinates","273465","2022-03-05","23:54:45",""
"7709670","16.166","0.002","8.8783","0.0012","18.6934","0.0013","90","","103.613","0.01","90","","2607.6","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cl4 N4 P Pt -","- C26 H19 Cl4 N4 P Pt -","- C104 H76 Cl16 N16 P4 Pt4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0779","0.0552","","","0.1303","0.1383","","","","","","1.036","","","","has coordinates","273465","2022-03-05","23:54:46",""
"7709671","11.0885","0.0005","19.5981","0.001","17.1297","0.0008","90","","100.185","0.004","90","","3663.9","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 Cl5 N4 P2 Pd -","- C38 H29 Cl5 N4 P2 Pd -","- C152 H116 Cl20 N16 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0891","0.0543","","","0.1089","0.13","","","","","","1.03","","","","has coordinates,has disorder","273465","2022-03-05","23:54:46",""
"7709672","10.9893","0.0002","19.7815","0.0004","17.1355","0.0004","90","","100.659","0.002","90","","3660.72","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl4 N4 P2 Pt -","- C38 H30 Cl4 N4 P2 Pt -","- C152 H120 Cl16 N16 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0462","0.033","","","0.0779","0.0845","","","","","","1.052","","","","has coordinates,has disorder","273465","2022-03-05","23:54:49",""
"7709673","21.8778","0.0009","12.5511","0.0005","30.095","0.0012","90","","110.548","0.005","90","","7738","0.6","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H32 Cl6 N4 P2 Pt -","- C39 H32 Cl6 N4 P2 Pt -","- C312 H256 Cl48 N32 P16 Pt8 -","8","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0814","0.0542","","","0.1071","0.1174","","","","","","1.038","","","","has coordinates","273465","2022-03-05","23:54:49",""
"7709674","10.9552","0.0003","19.8167","0.0005","17.0756","0.0006","90","","100.667","0.003","90","","3642.98","0.19","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl4 N4 P2 Pd -","- C38 H30 Cl4 N4 P2 Pd -","- C152 H120 Cl16 N16 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.096","0.0614","","","0.144","0.1724","","","","","","1.06","","","","has coordinates,has disorder","273465","2022-03-05","23:54:50",""
"7709675","9.9364","0.0006","12.6486","0.0008","16.9877","0.0011","108.987","0.001","97.246","0.001","96.912","0.001","1972.9","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","Heteroscorpionate Zwitterionic Zinc formate complex","","- C44 H47 N5 O2 P Zn -","- C44 H47 N5 O2 P Zn -","- C88 H94 N10 O4 P2 Zn2 -","2","1","","He, Wenhao; Liu, Xinli; Cui, Dongmei","Hydroboration of CO2 catalyzed by heteroscorpionate zwitterionic zinc and magnesium hydride complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00279E","","","0.71073","MoKα","","0.0391","0.037","","","0.1048","0.1066","","","","","","1.049","","","","has coordinates,has disorder","273512","2022-03-07","23:49:43",""
"7709676","7.9288","0.0003","11.4436","0.0005","16.2874","0.0008","104.114","0.002","100.91","0.002","104.039","0.002","1341.06","0.11","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 B Mo N O2 S2 -","- C28 H32 B Mo N O2 S2 -","- C56 H64 B2 Mo2 N2 O4 S4 -","2","1","","Saha, Suvam; Haridas, Anagha; Assanar, Faneesha; Bansal, Charu; Sudhadevi Antharjanam, P. K.; Ghosh, Sundargopal","Cooperative B–H activation by Cp* based κ2-N,S-chelated Ru(ii) and Mo(ii) complexes (Cp* = η5-C5Me5)","Dalton Transactions","2022","","","","","10.1039/D2DT00242F","","","0.71073","MoKα","","0.0728","0.0593","","","0.1361","0.1439","","","","","","1.133","","","","has coordinates","273513","2022-03-07","23:50:31",""
"7709677","18.1446","0.0016","15.785","0.003","9.154","0.004","90","","102.158","0.006","90","","2563","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B N Ru S2 -","- C26 H32 B N Ru S2 -","- C104 H128 B4 N4 Ru4 S8 -","4","1","","Saha, Suvam; Haridas, Anagha; Assanar, Faneesha; Bansal, Charu; Sudhadevi Antharjanam, P. K.; Ghosh, Sundargopal","Cooperative B–H activation by Cp* based κ2-N,S-chelated Ru(ii) and Mo(ii) complexes (Cp* = η5-C5Me5)","Dalton Transactions","2022","","","","","10.1039/D2DT00242F","","","0.71073","MoKα","","0.1694","0.0624","","","0.1112","0.1545","","","","","","1.022","","","","has coordinates","273513","2022-03-07","23:50:32",""
"7709678","14.8469","0.0007","9.0723","0.0004","32.0883","0.0014","90","","96.996","0.001","90","","4290","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N2 S4 Ta -","- C20 H23 N2 S4 Ta -","- C160 H184 N16 S32 Ta8 -","8","1","","Saha, Suvam; Haridas, Anagha; Assanar, Faneesha; Bansal, Charu; Sudhadevi Antharjanam, P. K.; Ghosh, Sundargopal","Cooperative B–H activation by Cp* based κ2-N,S-chelated Ru(ii) and Mo(ii) complexes (Cp* = η5-C5Me5)","Dalton Transactions","2022","","","","","10.1039/D2DT00242F","","","1.54178","CuKα","","0.0799","0.0708","","","0.1788","0.1891","","","","","","1.045","","","","has coordinates","273513","2022-03-07","23:50:32",""
"7709679","12.1739","0.0006","12.8902","0.0006","12.9625","0.0006","77.294","0.002","86.494","0.002","64.175","0.002","1784.75","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cl7 Ir N8 O S -","- C30 H30 Cl7 Ir N8 O S -","- C60 H60 Cl14 Ir2 N16 O2 S2 -","2","1","","Sierra, Miguel A.; GOMEZ GALLEGO, MAR; Ramirez de Arellano, Carmen; Lorenzo-Aparicio, Carmen","Phosphorescent Ir(III) Complexes derived from Purine Nucleobases","Dalton Transactions","2022","","","","","10.1039/D1DT04148G","","","0.71073","MoKα","","0.0169","0.016","","","0.0372","0.0375","","","","","","1.06","","","","has coordinates","273514","2022-03-07","23:51:22",""
"7709680","8.2418","0.0004","22.7104","0.0011","16.9586","0.0011","90","","92.632","0.002","90","","3170.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl2 Ir N8 O2 -","- C32 H31 Cl2 Ir N8 O2 -","- C128 H124 Cl8 Ir4 N32 O8 -","4","1","","Sierra, Miguel A.; GOMEZ GALLEGO, MAR; Ramirez de Arellano, Carmen; Lorenzo-Aparicio, Carmen","Phosphorescent Ir(III) Complexes derived from Purine Nucleobases","Dalton Transactions","2022","","","","","10.1039/D1DT04148G","","","0.71073","MoKα","","0.0232","0.0203","","","0.0526","0.0551","","","","","","1.065","","","","has coordinates,has disorder","273514","2022-03-07","23:51:23",""
"7709681","42.797","0.011","27.103","0.007","23.411","0.006","90","","90","","90","","27155","12","193","2","193","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C56 H36 N6 O12 Zn3 -","- C58 H36 N4 O12 Zn3 -","- C464 H288 N32 O96 Zn24 -","8","0.5","","Zhang, Xiuling; Li, Tingting; Wei, Jiao; Tian, Gao-Hua; Cao, Qing-Ling; Wang, Yu-Jie; Hou, Wen-Li; Zhou, Wen-Feng; Zhang, Zhen-Wei; Hu, Hui; Zhang, Yong-Zheng; Zhang, Da-Shuai; Li, Qing; Geng, Longlong","Interpenetrated metal–organic frameworks with enhanced photoluminescence for selective recognition of m-xylene from xylene isomers","Dalton Transactions","2022","","","","","10.1039/D1DT03968G","","","0.71073","MoKα","","0.1115","0.0821","","","0.232","0.2718","","","","","","1.054","","","","has coordinates","273515","2022-03-07","23:52:14",""
"7709682","12.6898","0.0005","14.5206","0.0005","22.7147","0.0008","85.043","0.001","75.307","0.001","64.971","0.001","3667.4","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H45 N5 O13 Zn3 -","- C62 H45 N5 O13 Zn3 -","- C124 H90 N10 O26 Zn6 -","2","1","","Zhang, Xiuling; Li, Tingting; Wei, Jiao; Tian, Gao-Hua; Cao, Qing-Ling; Wang, Yu-Jie; Hou, Wen-Li; Zhou, Wen-Feng; Zhang, Zhen-Wei; Hu, Hui; Zhang, Yong-Zheng; Zhang, Da-Shuai; Li, Qing; Geng, Longlong","Interpenetrated metal–organic frameworks with enhanced photoluminescence for selective recognition of m-xylene from xylene isomers","Dalton Transactions","2022","","","","","10.1039/D1DT03968G","","","0.71073","MoKα","","0.0793","0.0532","","","0.1376","0.1502","","","","","","1.027","","","","has coordinates","273515","2022-03-07","23:52:15",""
"7709683","8.1842","0.0005","8.1842","0.0005","11.2773","0.0008","90","","90","","120","","654.17","0.07","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- N6 Na Np3 O25 -","- N6 Na Np3 O25 -","- N6 Na Np3 O25 -","1","0.0416667","","Pyrch, Mikaela M.; Augustine, Logan J.; Williams, James M.; Mason, Sara E.; Forbes, Tori Z.","Use of vibrational spectroscopy to identify the formation of neptunyl–neptunyl interactions: a paired density functional theory and Raman spectroscopy study","Dalton Transactions","2022","","","","","10.1039/D2DT00200K","","","0.71073","MoKα","","0.0132","0.0132","","","0.0361","0.0361","","","","","","1.198","","","","has coordinates","273516","2022-03-07","23:52:41",""
"7709684","14.3814","0.0002","14.3814","0.0002","18.3531","0.0004","90","","90","","90","","3795.87","0.11","93","","93","","","","","","","","","5","P 42/n :2","-P 4bc","86","","cobalt(II) bis(5H-2.2':6',2""-terpyridine-5,5""-diyl biscarboxylato)","","- C34 H20 Co N6 O8 -","- C34 H20 Co N6 O8 -","- C136 H80 Co4 N24 O32 -","4","0.5","","KANETOMO, Takuya; Ni, Zhen; Enomoto, Masaya","Hydrogen-Bonded Cobalt(II)-Organic Framework: Normal and Reverse Spin-Crossover Behaviours","Dalton Transactions","2022","","","","","10.1039/D2DT00453D","","x-ray","0.71073","MoKα","","0.0374","0.0311","","","0.0807","0.083","","","","","","1.05","","","","has coordinates","273538","2022-03-08","23:49:24",""
"7709685","12.8858","0.001","22.887","0.0017","17.1739","0.0012","90","","92.581","0.002","90","","5059.7","0.6","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H66 Bi2 Cl9 N3 -","- C39 H66 Bi2 Cl9 N3 -","- C156 H264 Bi8 Cl36 N12 -","4","1","","Wu, Jia-Jing; Guo, Yue; Yao, Wen-Dong; Liu, Wen-Long; Guo, Sheng-Ping","Symmetry breaking of A3M2X9-type perovskite derivatives induced by polar quaternary ammonium cations: achieving efficient nonlinear optical properties","Dalton Transactions","2022","","","","","10.1039/D2DT00451H","","","0.71073","MoKα","","0.0461","0.0302","","","0.0469","0.0502","","","","","","0.953","","","","has coordinates","273539","2022-03-08","23:49:59",""
"7709686","8.3154","0.0008","9.7984","0.001","10.2317","0.0007","75.105","0.006","69.115","0.006","78.997","0.008","748.15","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H12 As2 -","- C20 H12 As2 -","- C40 H24 As4 -","2","1","","Gehlhaar, Alexander; Schiavo, Eduardo; Wölper, Christoph; Schulte, Yannick; Auer, Alexander A.; Schulz, Stephan","Comparing London dispersion pnictogen–π interactions in naphthyl-substituted dipnictanes","Dalton Transactions","2022","","","","","10.1039/D2DT00477A","","","1.54178","CuKα","","0.0265","0.026","","","0.0685","0.069","","","","","","1.061","","","","has coordinates","273540","2022-03-08","23:50:32",""
"7709687","19.3995","0.0017","5.1523","0.0004","31.532","0.003","90","","98.603","0.004","90","","3116.2","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Bi2 -","- C20 H12 Bi2 -","- C160 H96 Bi16 -","8","1","","Gehlhaar, Alexander; Schiavo, Eduardo; Wölper, Christoph; Schulte, Yannick; Auer, Alexander A.; Schulz, Stephan","Comparing London dispersion pnictogen–π interactions in naphthyl-substituted dipnictanes","Dalton Transactions","2022","","","","","10.1039/D2DT00477A","","","0.71073","MoKα","","0.1065","0.055","","","0.0964","0.1109","","","","","","1.006","","","","has coordinates","273540","2022-03-08","23:50:33",""
"7709688","7.6556","0.001","13.6507","0.0017","8.5962","0.0011","90","","106.44","0.004","90","","861.61","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H4 N20 O4 Pb4 -","- H4 N20 O4 Pb4 -","- H8 N40 O8 Pb8 -","2","1","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0334","0.0302","","","0.0659","0.0672","","","","","","1.014","","","","has coordinates","273541","2022-03-08","23:51:31",""
"7709689","8.9224","0.0002","8.9224","0.0002","22.5833","0.0004","90","","90","","120","","1556.97","0.06","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- H10 N16 O10 Pb4 -","- H10 N16 O10 Pb4 -","- H30 N48 O30 Pb12 -","3","0.333333","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0468","0.0452","","","0.1125","0.1137","","","","","","1.124","","","","has coordinates","273541","2022-03-08","23:51:32",""
"7709690","14.9624","0.0005","14.9624","0.0005","7.3194","0.0002","90","","90","","120","","1419.09","0.08","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- H41 N52 O26.5 Pb6 -","- H40.9992 N52.001 O26.5 Pb6 -","- H40.9992 N52.001 O26.5 Pb6 -","1","0.0833333","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0271","0.0206","","","0.0392","0.0409","","","","","","1.046","","","","has coordinates,has disorder","273541","2022-03-08","23:51:32",""
"7709691","10.1088","0.0008","13.552","0.0011","13.4401","0.0009","90","","90","","90","","1841.2","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Cl H6 N15 O9 Pb4 -","- Cl H6 N15 O9 Pb4 -","- Cl4 H24 N60 O36 Pb16 -","4","1","","Yuan, Yuan; Xu, Yuangang; Xie, Qiang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Pentazolate coordination polymers self-assembled by in situ generated [Pb4(OH)4]4+ cubic cations trapping cyclo-N5−","Dalton Transactions","2022","","","","","10.1039/D1DT04392G","","","0.71073","MoKα","","0.0322","0.0275","","","0.053","0.0544","","","","","","1.007","","","","has coordinates","273541","2022-03-08","23:51:32",""
"7709692","54.965","0.002","15.0756","0.001","6.534","0.0004","90","","90","","90","","5414.3","0.5","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H32 B Cl8 O6 S16 -","- C40 H32 B Cl8 O6 S16 -","- C160 H128 B4 Cl32 O24 S64 -","4","1","","Blundell, Toby J.; Lopez, Jordan R.; Sneade, Kathryn; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Coles, Simon J.; Wilson, Claire; Martin, Lee","Enantiopure and racemic radical-cation salts of B(mandelate)2− and B(2-chloromandelate)2− anions with BEDT-TTF","Dalton Transactions","2022","","","","","10.1039/D2DT00024E","","x-ray","1.54184","CuKα","","0.0773","0.0517","","","0.0945","0.1046","","","","","","0.997","","","","has coordinates,has disorder","273542","2022-03-08","23:52:20",""
"7709693","8.5373","0.0011","11.7643","0.0014","21.647","0.003","93.708","0.007","96.881","0.007","104.635","0.007","2078.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 B O6 S16 -","- C36 H28 B O6 S16 -","- C72 H56 B2 O12 S32 -","2","1","","Blundell, Toby J.; Lopez, Jordan R.; Sneade, Kathryn; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Coles, Simon J.; Wilson, Claire; Martin, Lee","Enantiopure and racemic radical-cation salts of B(mandelate)2− and B(2-chloromandelate)2− anions with BEDT-TTF","Dalton Transactions","2022","","","","","10.1039/D2DT00024E","","","0.71075","MoKα","","0.1158","0.075","","","0.1388","0.1572","","","","","","0.841","","","","has coordinates","273542","2022-03-08","23:52:21",""
"7709694","7.9194","0.0007","22.7352","0.0019","9.8659","0.0008","90","","100.171","0.002","90","","1748.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Au F9 N O4 -","- C16 H7 Au F9 N O4 -","- C64 H28 Au4 F36 N4 O16 -","4","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0285","0.0231","","","0.0489","0.0502","","","","","","1.124","","","","has coordinates","273574","2022-03-09","23:54:42",""
"7709695","10.349","0.003","19.446","0.005","9.02","0.003","90","","104.225","0.008","90","","1759.6","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Au F6 N O4 -","- C17 H12 Au F6 N O4 -","- C68 H48 Au4 F24 N4 O16 -","4","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0201","0.0178","","","0.0393","0.0398","","","","","","1.192","","","","has coordinates","273574","2022-03-09","23:54:42",""
"7709696","7.328","0.0005","10.7406","0.0007","11.6341","0.0007","89.684","0.001","77.095","0.001","81.102","0.001","881.42","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 Au F6 N2 O6 -","- C15 H7 Au F6 N2 O6 -","- C30 H14 Au2 F12 N4 O12 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0174","0.0164","","","0.0403","0.0406","","","","","","1.173","","","","has coordinates","273574","2022-03-09","23:54:42",""
"7709697","9.207","0.001","9.8687","0.001","11.0143","0.0012","81.49","0.002","67.125","0.002","83.432","0.002","910.14","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Au F6 N O5 -","- C17 H12 Au F6 N O5 -","- C34 H24 Au2 F12 N2 O10 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0232","0.0194","","","0.0412","0.0422","","","","","","1.044","","","","has coordinates","273574","2022-03-09","23:54:43",""
"7709698","9.0823","0.0009","9.6035","0.0009","9.6741","0.0009","99.749","0.002","103.932","0.002","94.85","0.002","800.19","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H6 Au F8 N O4 -","- C15 H6 Au F8 N O4 -","- C30 H12 Au2 F16 N2 O8 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0315","0.0254","","","0.0502","0.0516","","","","","","1.04","","","","has coordinates","273574","2022-03-09","23:54:44",""
"7709699","9.3498","0.0006","10.7363","0.0007","10.9287","0.0007","91.934","0.001","93.962","0.001","98.824","0.001","1080.38","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 Au Cl2 F6 N O5 -","- C18 H14 Au Cl2 F6 N O5 -","- C36 H28 Au2 Cl4 F12 N2 O10 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0208","0.0175","","","0.0383","0.0391","","","","","","1.059","","","","has coordinates","273574","2022-03-09","23:54:44",""
"7709700","26.1042","0.0019","13.5893","0.001","19.3988","0.0014","90","","112.368","0.002","90","","6363.7","0.8","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H15 Au F3 N O2 -","- C17 H15 Au F3 N O2 -","- C272 H240 Au16 F48 N16 O32 -","16","4","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0563","0.0281","","","0.0542","0.0633","","","","","","0.948","","","","has coordinates","273574","2022-03-09","23:54:52",""
"7709701","8.3096","0.0004","24.4047","0.0013","10.1744","0.0005","90","","101.993","0.001","90","","2018.26","0.18","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17.5 H10 Au Cl F9 N O4 -","- C17.5 H10 Au Cl F9 N O4 -","- C70 H40 Au4 Cl4 F36 N4 O16 -","4","2","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0251","0.0223","","","0.0454","0.0461","","","","","","1.024","","","","has coordinates,has disorder","273574","2022-03-09","23:54:53",""
"7709702","9.091","0.0005","14.2888","0.0008","16.172","0.0009","65.308","0.001","78.665","0.001","82.526","0.001","1868.71","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H0.25 Au F3 N O2 -","- C19 H19 Au F3 N O2 -","- C76 H76 Au4 F12 N4 O8 -","4","2","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0312","0.0218","","","0.0568","0.0679","","","","","","1.178","","","","has coordinates","273574","2022-03-09","23:54:54",""
"7709703","12.9432","0.0007","24.5659","0.0013","12.876","0.0007","90","","93.769","0.001","90","","4085.2","0.4","99.9","","99.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Au2 Cl2 F12 N2 O8 -","- C35 H26 Au2 Cl2 F12 N2 O8 -","- C140 H104 Au8 Cl8 F48 N8 O32 -","4","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.05","0.0322","","","0.0594","0.0631","","","","","","1.068","","","","has coordinates","273574","2022-03-09","23:54:54",""
"7709704","7.899","0.0004","13.1289","0.0006","18.91","0.0009","90","","101.648","0.001","90","","1920.68","0.16","100.1","","100.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Au2 Cl2 F12 N4 O12 -","- C33 H20 Au2 Cl2 F12 N4 O12 -","- C66 H40 Au4 Cl4 F24 N8 O24 -","2","0.5","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0273","0.0216","","","0.0474","0.0492","","","","","","1.087","","","","has coordinates,has disorder","273574","2022-03-09","23:54:54",""
"7709705","8.0544","0.0003","12.1925","0.0006","15.7587","0.0007","86.998","0.004","82.48","0.003","73.2","0.003","1468.59","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H6 Au F16 N O4 -","- C27 H6 Au F16 N O4 -","- C54 H12 Au2 F32 N2 O8 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","1.54178","CuKα","","0.0817","0.0615","","","0.1343","0.1434","","","","","","1.072","","","","has coordinates","273574","2022-03-09","23:54:54",""
"7709706","11.978","0.002","14.129","0.003","16.804","0.004","86.73","0.005","82.867","0.005","76.625","0.004","2744.1","1","99.9","","99.9","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40.03 Au2 Cl4 F12 N3 O14 -","- C49 H40 Au2 Cl4 F12 N3 O14 -","- C98 H80 Au4 Cl8 F24 N6 O28 -","2","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.1224","0.0905","","","0.2123","0.233","","","","","","1.286","","","","has coordinates,has disorder","273574","2022-03-09","23:54:54",""
"7709707","8.8236","0.0008","9.787","0.0009","21.7712","0.0019","90","","101.618","0.002","90","","1841.6","0.3","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Au F6 N O5 -","- C17 H12 Au F6 N O5 -","- C68 H48 Au4 F24 N4 O20 -","4","1","","Hylland, Knut T.; Schmidtke, Inga L.; Wragg, David S.; Nova, Ainara; Tilset, Mats","Synthesis of substituted (N,C) and (N,C,C) Au(iii) complexes: the influence of sterics and electronics on cyclometalation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT00371F","","x-ray","0.71073","MoKα","","0.0424","0.0376","","","0.0761","0.0771","","","","","","1.431","","","","has coordinates,has disorder","273574","2022-03-09","23:54:54",""
"7709708","10.1997","0.0008","15.3185","0.0011","22.49","0.002","90","","90","","90","","3513.9","0.5","105","7","105.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B F2 N3 O -","- C21 H16 B F2 N3 O -","- C168 H128 B8 F16 N24 O8 -","8","1","","Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli","Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene","Dalton Transactions","2022","","","","","10.1039/D2DT00166G","","","0.71073","MoKα","","0.0986","0.056","","","0.121","0.1457","","","","","","1.04","","","","has coordinates","273575","2022-03-09","23:56:46",""
"7709709","7.2123","0.0004","8.5123","0.0005","29.3664","0.0014","90","","90","","90","","1802.9","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N3 O2 Pd -","- C21 H17 N3 O2 Pd -","- C84 H68 N12 O8 Pd4 -","4","1","","Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli","Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene","Dalton Transactions","2022","","","","","10.1039/D2DT00166G","","","0.71073","MoKα","","0.0972","0.091","","","0.2385","0.245","","","","","","1.129","","","","has coordinates","273575","2022-03-09","23:56:46",""
"7709710","12.904","0.003","13.289","0.003","17.715","0.004","92.23","0.03","97.04","0.03","94.21","0.03","3003.2","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H65 B Fe N14 O6 Zr -","- C66 H65 B Fe N14 O6 Zr -","- C132 H130 B2 Fe2 N28 O12 Zr2 -","2","1","","Dudkin, Semyon V.; Chuprin, Alexander S.; Belova, Svetlana; Vologzhanina, Anna V. V.; Zubavichus, Yan V.; Kaletina, Polina M.; Shundrina, Inna; Bagryanskaya, Elena; Voloshin, Yan Z.","Hybrid Iron(II) Phthalocyaninoclathrochelates with Terminal Reactive Vinyl Group and their Organo-Inorganic Polymeric Derivatives: Synthetic Approaches, X-ray Structures and Copolymerization with Styrene","Dalton Transactions","2022","","","","","10.1039/D1DT04187H","","","0.80246","synchrotron","","0.0754","0.0644","","","0.1608","0.1709","","","","","","0.887","","","","has coordinates,has disorder","273576","2022-03-09","23:57:59",""
"7709711","12.0551","0.0007","12.7677","0.0007","22.1716","0.0013","74.184","0.003","85.283","0.003","62.992","0.002","2921.9","0.3","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H50.5 B Cl4.5 Fe N14 O6 Zr -","- C57 H50.5 B Cl4.5 Fe N14 O6 Zr -","- C114 H101 B2 Cl9 Fe2 N28 O12 Zr2 -","2","1","","Dudkin, Semyon V.; Chuprin, Alexander S.; Belova, Svetlana; Vologzhanina, Anna V. V.; Zubavichus, Yan V.; Kaletina, Polina M.; Shundrina, Inna; Bagryanskaya, Elena; Voloshin, Yan Z.","Hybrid Iron(II) Phthalocyaninoclathrochelates with Terminal Reactive Vinyl Group and their Organo-Inorganic Polymeric Derivatives: Synthetic Approaches, X-ray Structures and Copolymerization with Styrene","Dalton Transactions","2022","","","","","10.1039/D1DT04187H","","","1.54178","CuKα","","0.1315","0.1157","","","0.2469","0.2572","","","","","","1.075","","","","has coordinates,has disorder","273576","2022-03-09","23:58:00",""
"7709712","12.875","0.003","14.749","0.003","19.981","0.004","101.3","0.03","104.72","0.03","96.6","0.03","3543.9","1.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60.12 H49.12 B Cl6.38 Fe N14 O6 Zr -","- C60.125 H49.125 B Cl6.375 Fe N14 O6 Zr -","- C120.25 H98.25 B2 Cl12.75 Fe2 N28 O12 Zr2 -","2","1","","Dudkin, Semyon V.; Chuprin, Alexander S.; Belova, Svetlana; Vologzhanina, Anna V. V.; Zubavichus, Yan V.; Kaletina, Polina M.; Shundrina, Inna; Bagryanskaya, Elena; Voloshin, Yan Z.","Hybrid Iron(II) Phthalocyaninoclathrochelates with Terminal Reactive Vinyl Group and their Organo-Inorganic Polymeric Derivatives: Synthetic Approaches, X-ray Structures and Copolymerization with Styrene","Dalton Transactions","2022","","","","","10.1039/D1DT04187H","","","0.80246","synchrotron","","0.1003","0.0931","","","0.207","0.2109","","","","","","1.009","","","","has coordinates,has disorder","273576","2022-03-09","23:58:00",""
"7709713","13.061","0.003","13.926","0.003","17.455","0.004","73.63","0.03","87.99","0.03","76.02","0.03","2954.1","1.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H43.5 B Cl6 Fe N14 O6 Zr -","- C53.5 H42.5 B Cl4.5 Fe N14 O6 Zr -","- C107 H85 B2 Cl9 Fe2 N28 O12 Zr2 -","2","1","","Dudkin, Semyon V.; Chuprin, Alexander S.; Belova, Svetlana; Vologzhanina, Anna V. V.; Zubavichus, Yan V.; Kaletina, Polina M.; Shundrina, Inna; Bagryanskaya, Elena; Voloshin, Yan Z.","Hybrid Iron(II) Phthalocyaninoclathrochelates with Terminal Reactive Vinyl Group and their Organo-Inorganic Polymeric Derivatives: Synthetic Approaches, X-ray Structures and Copolymerization with Styrene","Dalton Transactions","2022","","","","","10.1039/D1DT04187H","","","0.80246","synchrotron","","0.0828","0.0802","","","0.1771","0.1785","","","","","","1.046","","","","has coordinates","273576","2022-03-09","23:58:01",""
"7709714","22.833","0.002","16.9477","0.0014","13.4634","0.0012","90","","121.633","0.008","90","","4435.8","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H43 Br5 N P2 Sb -","- C42 H43 Br5 N P2 Sb -","- C168 H172 Br20 N4 P8 Sb4 -","4","0.5","","Peng, Ying-Chen; Zhou, Sheng-Hua; Jin, Jian-Ce; Gu, Qi; Zhuang, Ting-Hui; Gong, Liao-Kuo; Wang, Ze-Ping; Du, Ke-Zhao; Huang, Xiao-Ying","Nearly one-fold enhancement in photoluminescence quantum yield for isostructural zero-dimensional hybrid antimony(iii) bromides by supramolecular interaction adjustments","Dalton Transactions","2022","","","","","10.1039/D1DT04374A","","","0.71073","MoKα","","0.0866","0.0367","","","0.0679","0.0845","","","","","","1.015","","","","has coordinates,has disorder","273577","2022-03-09","23:58:56",""
"7709715","22.569","0.002","16.6933","0.0016","13.631","0.0012","90","","120.949","0.008","90","","4404.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Br5 O P2 Sb -","- C42 H46 Br5 O P2 Sb -","- C168 H184 Br20 O4 P8 Sb4 -","4","0.5","","Peng, Ying-Chen; Zhou, Sheng-Hua; Jin, Jian-Ce; Gu, Qi; Zhuang, Ting-Hui; Gong, Liao-Kuo; Wang, Ze-Ping; Du, Ke-Zhao; Huang, Xiao-Ying","Nearly one-fold enhancement in photoluminescence quantum yield for isostructural zero-dimensional hybrid antimony(iii) bromides by supramolecular interaction adjustments","Dalton Transactions","2022","","","","","10.1039/D1DT04374A","","","0.71073","MoKα","","0.0776","0.0435","","","0.0769","0.0903","","","","","","1.004","","","","has coordinates,has disorder","273577","2022-03-09","23:58:57",""
"7709716","10.952","0.0004","10.952","0.0004","11.9218","0.0005","90","","90","","90","","1429.98","0.1","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C13 H19 Ag N2 O4 -","- C13 H19 Ag N2 O4 -","- C52 H76 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0147","0.014","","","0.0339","0.0347","","","","","","1.09","","","","has coordinates","273626","2022-03-11","00:05:12",""
"7709717","27.977","0.0019","8.3951","0.0006","7.956","0.0005","90","","92.298","0.002","90","","1867.1","0.2","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H23 Ag N2 O4 -","- C15 H23 Ag N2 O4 -","- C60 H92 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0541","0.0536","","","0.1367","0.1372","","","","","","1.103","","","","has coordinates","273626","2022-03-11","00:05:13",""
"7709718","10.9697","0.0005","10.9697","0.0005","11.8981","0.0007","90","","90","","90","","1431.75","0.12","193","2","193","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H19 Ag N2 O4 -","- C13 H19 Ag N2 O4 -","- C52 H76 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0185","0.0183","","","0.0509","0.051","","","","","","1.039","","","","has coordinates","273626","2022-03-11","00:05:13",""
"7709719","12.724","0.003","13.217","0.003","14.196","0.003","79.36","0.03","88.97","0.03","74.33","0.03","2257.8","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Au2 N4 O6 -","- C46 H62 Au2 N4 O6 -","- C92 H124 Au4 N8 O12 -","2","1","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","","0.71073","MoKα","","0.0474","0.0304","","","0.0685","0.0728","","","","","","0.975","","","","has coordinates","273627","2022-03-11","00:06:31",""
"7709720","32.8046","0.0017","32.8046","0.0017","20.4318","0.0012","90","","90","","120","","19041.7","1.8","150","","150","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C38 H46 Au2 N4 S4 -","- C38 H46 Au2 N4 S4 -","- C684 H828 Au36 N72 S72 -","18","0.5","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","x-ray","0.71073","MoKα","","0.1384","0.0772","","","0.2172","0.2675","","","","","","1.03","","","","has coordinates","273627","2022-03-11","00:06:32",""
"7709721","21.05","0.003","11.1793","0.0013","17.033","0.003","90","","120.173","0.019","90","","3465.2","1.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Au2 N4 -","- C38 H46 Au2 N4 -","- C152 H184 Au8 N16 -","4","0.5","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","","0.71073","MoKα","","0.0361","0.0287","","","0.0705","0.0731","","","","","","1.042","","","","has coordinates","273627","2022-03-11","00:06:32",""
"7709722","15.3524","0.0003","18.6578","0.0006","9.9186","0.0002","90","","104.188","0.002","90","","2754.44","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 Au2 N4 O2 -","- C66 H70 Au2 N4 O2 -","- C132 H140 Au4 N8 O4 -","2","0.5","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","","0.71073","MoKα","","0.0315","0.0229","","","0.0572","0.06","","","","","","1.021","","","","has coordinates,has disorder","273627","2022-03-11","00:06:32",""
"7709723","7.161","0.0003","12.6256","0.0006","12.9627","0.0007","83.032","0.004","78.583","0.004","83.304","0.004","1135.13","0.1","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Au2 N4 O8 -","- C42 H46 Au2 N4 O8 -","- C42 H46 Au2 N4 O8 -","1","0.5","","Krätschmer, Frederic; Gui, Xin; Gamer, Michael T.; Klopper, Wim; Roesky, Peter W.","Systematic investigation of the influence of electronic substituents on dinuclear gold(i) amidinates: synthesis, characterisation and photoluminescence studies","Dalton Transactions","2022","","","","","10.1039/D1DT03795A","","x-ray","0.71073","MoKα","","0.0275","0.021","","","0.0426","0.0434","","","","","","0.957","","","","has coordinates,has disorder","273627","2022-03-11","00:06:32",""
"7709724","29.677","0.018","47.38","0.03","13.027","0.009","90","","90","","90","","18317","2","300","2","300.01","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C68 H74 B4 Fe4 N26 O2 P2 -","- C68 H74 B4 Fe4 N26 O2 P2 -","- C544 H592 B32 Fe32 N208 O16 P16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0669","0.052","","","0.1198","0.1271","","","","","","1.026","","","","has coordinates","273628","2022-03-11","00:08:53",""
"7709725","28.913","0.005","47.393","0.008","13.02","0.002","90","","90","","90","","17841","5","100","","100","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C68 H74 B4 Fe4 N26 O2 P2 -","- C68 H74 B4 Fe4 N26 O2 P2 -","- C544 H592 B32 Fe32 N208 O16 P16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0274","0.0257","","","0.0629","0.0637","","","","","","1.02","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709726","29.79","0.03","47.45","0.06","13.324","0.017","90","","90","","90","","18834","4","300","","300","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C68 H68 B2 Fe4 N26 O2 P2 Se2 -","- C68 H68 B2 Fe4 N26 O2 P2 Se2 -","- C544 H544 B16 Fe32 N208 O16 P16 Se16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.1324","0.0592","","","0.1254","0.1596","","","","","","0.912","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709727","28.952","0.013","47.23","0.02","13.137","0.007","90","","90","","90","","17964","15","99.99","","99.99","","","","","","","","","9","F d d 2","F 2 -2d","43","","","","- C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2 -","- C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2 -","- C592 H624 B16 Cl32 Fe32 N224 O24 P16 Se16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.1312","0.0855","","","0.21","0.248","","","","","","1.016","","","","has coordinates,has disorder","273628","2022-03-11","00:08:54",""
"7709728","29.674","0.005","47.644","0.009","13.108","0.003","90","","90","","90","","18532","6","300.01","","300.01","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C69.09 H72.37 B2 Fe4 N26 O3.09 P2 S2 -","- C69.1 H72.4 B2 Fe4 N26 O3.1 P2 S2 -","- C552.8 H579.2 B16 Fe32 N208 O24.8 P16 S16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","x-ray","0.71073","MoKα","","0.0443","0.0397","","","0.1112","0.1163","","","","","","1.057","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709729","28.476","0.003","47.057","0.004","13.3974","0.0014","90","","90","","90","","17952","3","101","2","101","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C68 H68 B2 Fe4 N26 O2 P2 S2 -","- C68 H68 B2 Fe4 N26 O2 P2 S2 -","- C544 H544 B16 Fe32 N208 O16 P16 S16 -","8","0.5","","You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu","Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00058J","","","0.71073","MoKα","","0.0296","0.028","","","0.0687","0.0697","","","","","","1.01","","","","has coordinates","273628","2022-03-11","00:08:54",""
"7709730","15.3553","0.0002","15.377","0.0002","17.2255","0.0004","91.6478","0.0016","92.6572","0.0016","92.2153","0.0012","4057.95","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl7 N P2 Pd S2 -","- C34 H38 Cl7 N P2 Pd S2 -","- C136 H152 Cl28 N4 P8 Pd4 S8 -","4","2","","Cesarec, Sara; Edgar, Fraser; Lai, Titan; White, Andrew J. P.; Plisson, Christophe; Miller, Philip","Synthesis of carbon-11 radiolabelled transition metal complexes using 11C-dithiocarbamates","Dalton Transactions","2022","","","","","10.1039/D2DT00266C","","","0.71073","MoKα","","0.0476","0.035","","","0.1047","0.1075","","","","","","1.089","","","","has coordinates,has disorder","273629","2022-03-11","00:09:58",""
"7709731","9.9905","0.0004","10.0596","0.0003","19.4585","0.001","79.965","0.003","75.841","0.004","83.887","0.003","1862.99","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H37 Cl4 N P2 Pt S2 -","- C33 H37 Cl4 N P2 Pt S2 -","- C66 H74 Cl8 N2 P4 Pt2 S4 -","2","1","","Cesarec, Sara; Edgar, Fraser; Lai, Titan; White, Andrew J. P.; Plisson, Christophe; Miller, Philip","Synthesis of carbon-11 radiolabelled transition metal complexes using 11C-dithiocarbamates","Dalton Transactions","2022","","","","","10.1039/D2DT00266C","","","0.71073","MoKα","","0.0372","0.0298","","","0.0493","0.0515","","","","","","1.008","","","","has coordinates,has disorder","273629","2022-03-11","00:09:58",""
"7709732","10.6789","0.0007","18.7474","0.0012","11.7267","0.0007","90","","91.771","0.003","90","","2346.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N16 Ni2 S4 -","- C46 H46 N16 Ni2 S4 -","- C92 H92 N32 Ni4 S8 -","2","0.5","","Dobrov, Anatolie; Darvasiová, Denisa; Zalibera, Michal; Bučinský, Lukáš; Jelemenská, Ingrid; Rapta, Peter; Shova, Sergiu; Dumitrescu, Dan G.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.","Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane","Dalton Transactions","2022","","","","","10.1039/D2DT00154C","","","0.71073","MoKα","","0.1056","0.0766","","","0.166","0.1803","","","","","","1.115","","","","has coordinates","273630","2022-03-11","00:11:09",""
"7709733","10.5994","0.0011","14.0392","0.0014","21.2185","0.0017","90","","100.972","0.004","90","","3099.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 N16 Ni2 S4 -","- C56 H50 N16 Ni2 S4 -","- C112 H100 N32 Ni4 S8 -","2","0.5","","Dobrov, Anatolie; Darvasiová, Denisa; Zalibera, Michal; Bučinský, Lukáš; Jelemenská, Ingrid; Rapta, Peter; Shova, Sergiu; Dumitrescu, Dan G.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.","Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane","Dalton Transactions","2022","","","","","10.1039/D2DT00154C","","","0.7","MoKα","","0.0707","0.0459","","","0.1061","0.116","","","","","","1.038","","","","has coordinates","273630","2022-03-11","00:11:10",""
"7709734","34.235","0.005","34.235","0.005","20.889","0.004","90","","90","","90","","24483","7","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H48 N18 Ni2 S4 -","- C54 H48 N18 Ni2 S4 -","- C864 H768 N288 Ni32 S64 -","16","1","","Dobrov, Anatolie; Darvasiová, Denisa; Zalibera, Michal; Bučinský, Lukáš; Jelemenská, Ingrid; Rapta, Peter; Shova, Sergiu; Dumitrescu, Dan G.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.","Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane","Dalton Transactions","2022","","","","","10.1039/D2DT00154C","","","0.7","MoKα","","0.0643","0.0543","","","0.1631","0.1736","","","","","","1.032","","","","has coordinates,has disorder","273630","2022-03-11","00:11:11",""
"7709735","11.3032","0.0011","15.1971","0.0008","19.9582","0.0012","92.547","0.002","105.088","0.003","108.429","0.003","3110.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl6 N16 Ni2 S4 -","- C58 H52 Cl6 N16 Ni2 S4 -","- C116 H104 Cl12 N32 Ni4 S8 -","2","1","","Dobrov, Anatolie; Darvasiová, Denisa; Zalibera, Michal; Bučinský, Lukáš; Jelemenská, Ingrid; Rapta, Peter; Shova, Sergiu; Dumitrescu, Dan G.; Andrade, Marta A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.; Arion, Vladimir B.","Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane","Dalton Transactions","2022","","","","","10.1039/D2DT00154C","","","0.71073","MoKα","","0.054","0.0426","","","0.1009","0.1057","","","","","","1.014","","","","has coordinates,has disorder","273630","2022-03-11","00:11:11",""
"7709736","20.285","0.003","21.478","0.003","21.698","0.003","62.702","0.004","87.142","0.005","71.516","0.005","7916","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C165 H169 B3 Co3 F12 N7 O2.5 P9 S6 -","- C157 H157 B3 Co3 F12 N3 O2.5 P9 S6 -","- C314 H314 B6 Co6 F24 N6 O5 P18 S12 -","2","1","","Intrator, Jeremy A.; Orchanian, Nicholas M.; Clough, Andrew J.; Haiges, Ralf; Marinescu, Smaranda C.","Electronically-Coupled Redox Centers in Trimetallic Cobalt Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03404A","","","0.71073","MoKα","","0.142","0.0901","","","0.231","0.2637","","","","","","1.016","","","","has coordinates,has disorder","273668","2022-03-11","23:51:19",""
"7709737","24.768","0.003","10.8889","0.0013","13.8726","0.0019","90","","92.343","0.006","90","","3738.3","0.8","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N4 O Pt -","- C23 H16 N4 O Pt -","- C184 H128 N32 O8 Pt8 -","8","1","","Hruzd, Mariia; Le Poul, Nicolas; Cordier, Marie; Kahlal, samia; Saillard, Jean-Yves; Achelle, Sylvain; Gauthier, Sebastien; Le Guen, Françoise Robin","Luminescent cyclometalated alkynylplatinum(II) complexes with 1,3-di(pyrimidin-2-yl)benzene ligands: synthesis, electrochemistry, photophysics and computational studies","Dalton Transactions","2022","","","","","10.1039/D1DT04237H","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0965","0.1078","","","","","","1.031","","","","has coordinates","273669","2022-03-11","23:51:59",""
"7709738","12.4772","0.0012","7.8562","0.0005","20.3724","0.0018","90","","94.458","0.006","90","","1990.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O2 Pt -","- C24 H18 N4 O2 Pt -","- C96 H72 N16 O8 Pt4 -","4","1","","Hruzd, Mariia; Le Poul, Nicolas; Cordier, Marie; Kahlal, samia; Saillard, Jean-Yves; Achelle, Sylvain; Gauthier, Sebastien; Le Guen, Françoise Robin","Luminescent cyclometalated alkynylplatinum(II) complexes with 1,3-di(pyrimidin-2-yl)benzene ligands: synthesis, electrochemistry, photophysics and computational studies","Dalton Transactions","2022","","","","","10.1039/D1DT04237H","","x-ray","0.71073","MoKα","","0.0778","0.0424","","","0.0852","0.093","","","","","","0.949","","","","has coordinates","273669","2022-03-11","23:52:00",""
"7709739","12.7048","0.0006","13.1743","0.0005","15.8425","0.0007","97.32","0.003","91.965","0.003","116.855","0.003","2333.74","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H45 N12 Y -","- C57 H45 N12 Y -","- C114 H90 N24 Y2 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","","0.71073","MoKα","","0.058","0.0394","","","0.0965","0.1029","","","","","","1.023","","","","has coordinates","273670","2022-03-11","23:53:38",""
"7709740","12.707","0.0009","13.1135","0.001","15.8352","0.0009","97.146","0.006","92.198","0.005","116.609","0.006","2327.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H45 N12 Sm -","- C57 H45 N12 Sm -","- C114 H90 N24 Sm2 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","","0.71073","MoKα","","0.0397","0.0315","","","0.0747","0.0784","","","","","","1.035","","","","has coordinates","273670","2022-03-11","23:53:40",""
"7709741","10.179","0.002","11.509","0.002","12.716","0.003","90","","108.62","0.03","90","","1411.7","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 Dy N4 -","- C33 H33 Dy N4 -","- C66 H66 Dy2 N8 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0582","0.0546","","","0.1403","0.1421","","","","","","1.026","","","","has coordinates,has disorder","273670","2022-03-11","23:53:40",""
"7709742","12.6707","0.0008","13.1442","0.0008","15.7479","0.0013","97.226","0.006","92.117","0.006","116.709","0.005","2311.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 H45 Dy N12 -","- C57 H45 Dy N12 -","- C114 H90 Dy2 N24 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0829","0.0596","","","0.1397","0.1538","","","","","","1.018","","","","has coordinates","273670","2022-03-11","23:53:40",""
"7709743","10.179","0.002","11.509","0.002","12.716","0.003","90","","108.62","0.03","90","","1411.7","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H33 N4 Yb -","- C33 H33 N4 Yb -","- C66 H66 N8 Yb2 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0872","0.0841","","","0.2123","0.2154","","","","","","1.077","","","","has coordinates","273670","2022-03-11","23:53:40",""
"7709744","22.8627","0.0011","10.1803","0.0005","17.1284","0.0008","90","","109.217","0.004","90","","3764.5","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H53 N4 Sm -","- C43 H53 N4 Sm -","- C172 H212 N16 Sm4 -","4","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","x-ray","0.71073","MoKα","","0.0994","0.0628","","","0.1499","0.1696","","","","","","0.958","","","","has coordinates,has disorder","273670","2022-03-11","23:53:40",""
"7709745","12.4474","0.001","15.2412","0.001","19.8619","0.0019","81.535","0.007","80.353","0.007","69.971","0.006","3473.7","0.5","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76.5 H87 N12 Yb -","- C76.5 H87 N12 Yb -","- C153 H174 N24 Yb2 -","2","1","","Jin, Da; Sun, Xiaofei; Hinz, Alexander; Roesky, Peter W.","Rare-earth metal complexes with redox-active formazanate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00456A","","","0.71073","MoKα","","0.0582","0.0395","","","0.0901","0.0954","","","","","","0.977","","","","has coordinates,has disorder","273670","2022-03-11","23:53:40",""
"7709746","5.4472","0.0007","7.2597","0.0006","9.1804","0.0013","105.097","0.01","96.953","0.011","110.347","0.01","319.53","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","CsCuS4","","","- Cs Cu S4 -","- Cs Cu S4 -","- Cs2 Cu2 S8 -","2","1","","Yan, Qiu-Nan; Liu, Bin-Wen; Jiang, Xiao-Ming; Zhao, Jin-Xu; Pei, Shao-Min; Chen, Wen-Fa; Guo, Guo-Cong","Photocurrent, Humidity Sensitive and Proton Conductive Properties of a New Sulfide Semiconductor CsCuS4","Dalton Transactions","2022","","","","","10.1039/D2DT00143H","","","0.71073","MoKα","","0.0612","0.0568","","","0.1856","0.1883","","","","","","1.096","","","","has coordinates","273678","2022-03-12","23:47:59",""
"7709747","17.7212","0.0002","16.1974","0.0002","24.1947","0.0003","90","","90","","90","","6944.78","0.14","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H36 Cl2 F6 N4 O2 P Ru -","- C34 H36 Cl2 F6 N4 O2 P Ru -","- C272 H288 Cl16 F48 N32 O16 P8 Ru8 -","8","1","","Pan, Yunling; Cheng, Lin; Yi, PAN; Man, Wai-Lun; Yiu, Shek-Man; Xie, Jianhui; LAU, Kai Chung; Lau, Tai-Chu","Facile C-N Bond Cleavage of Primary Aliphatic Amines by (Salen)ruthenium(VI) Nitrido Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00600F","","","1.54178","CuKα","","0.0432","0.0349","","","0.0864","0.0926","","","","","","1.026","","","","has coordinates","273686","2022-03-14","23:54:46",""
"7709748","4.0079","0.0003","17.0621","0.001","12.9516","0.0006","90","","95.18","0.005","90","","882.05","0.09","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N8 Pt S4 -","- C12 H14 N8 Pt S4 -","- C24 H28 N16 Pt2 S8 -","2","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","0.71073","MoKα","","0.0524","0.0342","","","0.0741","0.0847","","","","","","1.025","","","","has coordinates","273687","2022-03-14","23:56:31",""
"7709749","8.8524","0.0002","4.0067","0.0001","27.1392","0.0006","90","","90.532","0.002","90","","962.56","0.04","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N8 Pt S4 -","- C14 H18 N8 Pt S4 -","- C28 H36 N16 Pt2 S8 -","2","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","1.54184","CuKα","","0.0306","0.0282","","","0.0757","0.0778","","","","","","1.116","","","","has coordinates","273687","2022-03-14","23:56:32",""
"7709750","9.6291","0.0001","8.7551","0.0001","14.458","0.0002","90","","91.132","0.001","90","","1218.63","0.03","294.45","0.1","294.45","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N8 Pt S4 -","- C18 H26 N8 Pt S4 -","- C36 H52 N16 Pt2 S8 -","2","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","1.54184","CuKα","","0.0412","0.0399","","","0.0996","0.1015","","","","","","1.03","","","","has coordinates","273687","2022-03-14","23:56:32",""
"7709751","8.358","0.0001","9.4698","0.0001","16.0146","0.0002","90","","99.095","0.001","90","","1251.6","0.03","294.47","0.1","294.47","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N8 Pt S4 -","- C22 H18 N8 Pt S4 -","- C44 H36 N16 Pt2 S8 -","2","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","1.54184","CuKα","","0.0251","0.0231","","","0.0617","0.0631","","","","","","1.104","","","","has coordinates","273687","2022-03-14","23:56:32",""
"7709752","12.0032","0.0007","9.1694","0.0004","19.1587","0.0012","90","","90","","90","","2108.6","0.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N8 O2 Pt S4 -","- C12 H18 N8 O2 Pt S4 -","- C48 H72 N32 O8 Pt4 S16 -","4","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","0.71073","MoKα","","0.0799","0.0464","","","0.0877","0.0965","","","","","","1.171","","","","has coordinates","273687","2022-03-14","23:56:32",""
"7709753","8.8378","0.0006","11.4663","0.0009","14.3741","0.0012","68.768","0.008","82.547","0.006","78.354","0.006","1327.24","0.19","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N8 Pt S4 -","- C24 H23 N8 Pt S4 -","- C48 H46 N16 Pt2 S8 -","2","1","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","0.71073","MoKα","","0.0861","0.0463","","","0.0773","0.0957","","","","","","0.997","","","","has coordinates,has disorder","273687","2022-03-14","23:56:33",""
"7709754","12.066","0.0007","16.5009","0.0008","7.439","0.0005","90","","100.028","0.006","90","","1458.48","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Ag2 Au2 N10 -","- C30 H18 Ag2 Au2 N10 -","- C60 H36 Ag4 Au4 N20 -","2","0.5","","Priola, Emanuele; Giordana, Alessia; Gomila, Rosa Maria; Zangrando, Ennio; Andreo, Luca; Rabezzana, Roberto; Operti, Lorenza; Diana, Eliano; Mahmoudi, Ghodrat; Frontera, Antonio","Metallophilic interactions in silver(I) dicyanoaurate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00615D","","","0.71073","MoKα","","0.0786","0.0453","","","0.0788","0.0885","","","","","","1.023","","","","has coordinates","273708","2022-03-15","23:58:17",""
"7709755","7.2797","0.0013","9.847","0.004","10.868","0.003","86.98","0.03","79.08","0.02","83.75","0.02","760","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Ag2 Au2 N10 -","- C30 H18 Ag2 Au2 N10 -","- C30 H18 Ag2 Au2 N10 -","1","0.5","","Priola, Emanuele; Giordana, Alessia; Gomila, Rosa Maria; Zangrando, Ennio; Andreo, Luca; Rabezzana, Roberto; Operti, Lorenza; Diana, Eliano; Mahmoudi, Ghodrat; Frontera, Antonio","Metallophilic interactions in silver(I) dicyanoaurate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00615D","","","0.71073","MoKα","","0.2697","0.0972","","","0.1507","0.2131","","","","","","0.934","","","","has coordinates","273708","2022-03-15","23:58:18",""
"7709756","6.8295","0.0005","16.533","0.001","14.7584","0.0008","90","","101.314","0.006","90","","1634.02","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Ag2 Au2 N10 -","- C34 H22 Ag2 Au2 N10 -","- C68 H44 Ag4 Au4 N20 -","2","0.5","","Priola, Emanuele; Giordana, Alessia; Gomila, Rosa Maria; Zangrando, Ennio; Andreo, Luca; Rabezzana, Roberto; Operti, Lorenza; Diana, Eliano; Mahmoudi, Ghodrat; Frontera, Antonio","Metallophilic interactions in silver(I) dicyanoaurate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00615D","","","0.71073","MoKα","","0.0565","0.0304","","","0.0649","0.0747","","","","","","0.983","","","","has coordinates","273708","2022-03-15","23:58:18",""
"7709757","11.3724","0.0008","14.8294","0.001","16.3394","0.0011","116.322","0.007","95.174","0.005","101.927","0.006","2364","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H27 Ag4 Au4 N15 -","- C43 H27 Ag4 Au4 N15 -","- C86 H54 Ag8 Au8 N30 -","2","1","","Priola, Emanuele; Giordana, Alessia; Gomila, Rosa Maria; Zangrando, Ennio; Andreo, Luca; Rabezzana, Roberto; Operti, Lorenza; Diana, Eliano; Mahmoudi, Ghodrat; Frontera, Antonio","Metallophilic interactions in silver(I) dicyanoaurate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00615D","","","0.71073","MoKα","","0.1358","0.0644","","","0.1041","0.1271","","","","","","1.071","","","","has coordinates","273708","2022-03-15","23:58:19",""
"7709758","13.449","0.003","14.984","0.003","27.024","0.005","100.93","0.03","102.94","0.03","101.77","0.03","5036","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84.5 H147 Cl5 Mo5 N3 O22 Y -","- C84.5 H147 Cl5 Mo5 N3 O22 Y -","- C169 H294 Cl10 Mo10 N6 O44 Y2 -","2","1","","Jiao, Yushu; Sanz, Sergio; Izarova, Natalya V.; van Leusen, Jan; Sarwar, Sidra; Dalgarno, Scott; Brechin, Euan K.; Kögerler, Paul","Hybrid lanthanide double-deckers based on calixarene and polyoxometalate units","Dalton Transactions","2022","","","","","10.1039/D2DT00769J","","","0.71073","MoKα","","0.1266","0.0794","","","0.2056","0.2388","","","","","","1.043","","","","has coordinates","273709","2022-03-15","23:59:34",""
"7709759","67.2987","0.0015","12.5266","0.0002","23.4455","0.0004","90","","103.345","0.002","90","","19231.4","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H144 Cl2 Gd Mo5 N3 O22 -","- C83 H144 Cl2 Gd Mo5 N3 O22 -","- C664 H1152 Cl16 Gd8 Mo40 N24 O176 -","8","1","","Jiao, Yushu; Sanz, Sergio; Izarova, Natalya V.; van Leusen, Jan; Sarwar, Sidra; Dalgarno, Scott; Brechin, Euan K.; Kögerler, Paul","Hybrid lanthanide double-deckers based on calixarene and polyoxometalate units","Dalton Transactions","2022","","","","","10.1039/D2DT00769J","","","0.71073","MoKα","","0.0697","0.043","","","0.0894","0.1039","","","","","","1.052","","","","has coordinates","273709","2022-03-15","23:59:34",""
"7709760","67.034","0.0006","12.5392","0.0001","23.4462","0.0002","90","","103.174","0.001","90","","19189.1","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H144 Cl2 Dy Mo5 N3 O22 -","- C83 H144 Cl2 Dy Mo5 N3 O22 -","- C664 H1152 Cl16 Dy8 Mo40 N24 O176 -","8","1","","Jiao, Yushu; Sanz, Sergio; Izarova, Natalya V.; van Leusen, Jan; Sarwar, Sidra; Dalgarno, Scott; Brechin, Euan K.; Kögerler, Paul","Hybrid lanthanide double-deckers based on calixarene and polyoxometalate units","Dalton Transactions","2022","","","","","10.1039/D2DT00769J","","","0.71073","MoKα","","0.0499","0.0388","","","0.0835","0.0902","","","","","","1.084","","","","has coordinates","273709","2022-03-15","23:59:34",""
"7709761","15.1297","0.0007","7.1034","0.0003","6.6093","0.0002","90","","90","","90","","710.32","0.05","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","","catena-[bis(μ-azido)(μ-pyrazine)cobalt (II)]~n~","","- C4 H4 Co N8 -","- C4 H4 Co N8 -","- C16 H16 Co4 N32 -","4","0.25","","Setifi, Zouaoui; Setifi, Fatima; Benmansour Souilamas, Samia; Liu, Xiangyu; Mague, Joel T.; Gomez Garcia, Carlos J.; Konieczny, Piotr; Reedijk, Jan","A rare example of a double metamagnetic transition leading to 2D and 3D long-range order in the two-dimensional pyrazine- and azido-bridged cobalt(II) compound [Co(pyz)(N3)2]","Dalton Transactions","2022","","","","","10.1039/D2DT00294A","","","1.54178","CuKα","","0.0385","0.0353","","","0.0898","0.0923","","","","","","1.104","","","","has coordinates","273710","2022-03-16","00:00:10",""
"7709762","8.8032","0.0002","9.0568","0.0001","15.4925","0.0002","75.621","0.001","86.32","0.001","65.266","0.002","1085.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 N4 O2 Zr -","- C16 H40 N4 O2 Zr -","- C32 H80 N8 O4 Zr2 -","2","1","","Jiang, Jianwei; Choi, Sohee; Oh, Jaehyun; Choi, Jihyun; Sun, Ho-Jung; Yoon, Sungho","Formation of mononuclear N,O-chelate zirconium complexes by direct insertion of epoxide into tetrakis(dimethylamido)zirconium: highly promising approach for developing an ALD precursor of ZrO2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT04207F","","","1.54184","CuKα","","0.0334","0.0324","","","0.0783","0.0786","","","","","","1.701","","","","has coordinates","273748","2022-03-17","00:06:30",""
"7709763","15.9734","0.0003","9.572","0.00019","16.6128","0.0003","90","","91.5782","0.0016","90","","2539.09","0.08","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 N4 O2 Zr -","- C22 H48 N4 O2 Zr -","- C88 H192 N16 O8 Zr4 -","4","1","","Jiang, Jianwei; Choi, Sohee; Oh, Jaehyun; Choi, Jihyun; Sun, Ho-Jung; Yoon, Sungho","Formation of mononuclear N,O-chelate zirconium complexes by direct insertion of epoxide into tetrakis(dimethylamido)zirconium: highly promising approach for developing an ALD precursor of ZrO2 thin films","Dalton Transactions","2022","","","","","10.1039/D1DT04207F","","","1.54178","CuKα","","0.0529","0.0494","","","0.1307","0.1322","","","","","","1.111","","","","has coordinates","273748","2022-03-17","00:06:31",""
"7709764","8.7297","0.0005","6.9516","0.0003","19.7326","0.0011","90","","102.008","0.005","90","","1171.28","0.11","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Au Cl3 N2 -","- C9 H8 Au Cl3 N2 -","- C36 H32 Au4 Cl12 N8 -","4","1","","Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.","Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex","Dalton Transactions","2022","","","","","10.1039/D2DT00411A","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0603","0.0656","","","","","","1.057","","","","has coordinates","273749","2022-03-17","00:07:36",""
"7709765","12.1732","0.0006","5.8139","0.0002","15.0734","0.0007","90","","100.004","0.005","90","","1050.58","0.08","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H14 Au Cl3 F3 N5 O -","- C16 H14 Au Cl3 F3 N5 O -","- C32 H28 Au2 Cl6 F6 N10 O2 -","2","1","","Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.","Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex","Dalton Transactions","2022","","","","","10.1039/D2DT00411A","","x-ray","0.71073","MoKα","","0.033","0.0276","","","0.0554","0.0578","","","","","","1.035","","","","has coordinates","273749","2022-03-17","00:07:37",""
"7709766","7.5671","0.0003","9.547","0.0005","15.8505","0.0007","89.941","0.004","80.989","0.004","76.38","0.004","1098.39","0.09","150.05","0.1","150.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Au Cl6 N2 O -","- C18 H15 Au Cl6 N2 O -","- C36 H30 Au2 Cl12 N4 O2 -","2","1","","Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.","Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex","Dalton Transactions","2022","","","","","10.1039/D2DT00411A","","x-ray","0.71073","MoKα","","0.0465","0.0369","","","0.0789","0.0851","","","","","","1.038","","","","has coordinates","273749","2022-03-17","00:07:37",""
"7709767","9.431","0.0004","18.166","0.0007","12.7936","0.0006","90","","100.3","0.004","90","","2156.52","0.16","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Au Cl4 N2 -","- C22 H17 Au Cl4 N2 -","- C88 H68 Au4 Cl16 N8 -","4","1","","Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.","Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex","Dalton Transactions","2022","","","","","10.1039/D2DT00411A","","x-ray","0.71073","MoKα","","0.0289","0.0231","","","0.0535","0.0561","","","","","","1.055","","","","has coordinates","273749","2022-03-17","00:07:38",""
"7709768","19.076","0.005","15.842","0.005","15.133","0.004","90","","120.693","0.004","90","","3932.6","1.9","150","2","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Cl4 Cu N4 O5 S2 -","- C38 H44 Cl4 Cu N4 O5 S2 -","- C152 H176 Cl16 Cu4 N16 O20 S8 -","4","0.5","","Johnson, Alice; Iffland, Linda; Northcote-Smith, Joshua; Singh, Kuldip; Ortu, Fabrizio; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan","A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity","Dalton Transactions","2022","","","","","10.1039/D2DT00788F","","","0.71073","MoKα","","0.0449","0.0368","","","0.0887","0.092","","","","","","1.052","","","","has coordinates","273750","2022-03-17","00:08:36",""
"7709769","7.917","0.004","30.223","0.016","8.837","0.005","90","","99.7","0.014","90","","2084.2","1.9","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H62 Cu N4 O12 -","- C38 H62 Cu N4 O12 -","- C76 H124 Cu2 N8 O24 -","2","1","","Johnson, Alice; Iffland, Linda; Northcote-Smith, Joshua; Singh, Kuldip; Ortu, Fabrizio; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan","A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity","Dalton Transactions","2022","","","","","10.1039/D2DT00788F","","","0.71073","MoKα","","0.1857","0.0826","","","0.1358","0.1718","","","","","","0.817","","","","has coordinates","273750","2022-03-17","00:08:37",""
"7709770","18.109","0.015","7.269","0.007","15.999","0.014","90","","101.713","0.016","90","","2062","3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl4 Cu N6 O6 -","- C38 H48 Cl4 Cu N6 O6 -","- C76 H96 Cl8 Cu2 N12 O12 -","2","0.5","","Johnson, Alice; Iffland, Linda; Northcote-Smith, Joshua; Singh, Kuldip; Ortu, Fabrizio; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan","A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity","Dalton Transactions","2022","","","","","10.1039/D2DT00788F","","","0.71073","MoKα","","0.3005","0.1013","","","0.2054","0.2788","","","","","","0.865","","","","has coordinates","273750","2022-03-17","00:08:37",""
"7709771","34.0893","0.001","39.0572","0.0005","53.629","0.002","90","","90","","90","","71403","4","123","0.1","123","0.1","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C144 H134 F18 N4 O22 P8 Pd4 S6 -","- C144 H134 F18 N4 O22 P8 Pd4 S6 -","- C2304 H2144 F288 N64 O352 P128 Pd64 S96 -","16","0.5","","Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari","Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks","Dalton Transactions","2022","","","","","10.1039/D1DT03706D","","x-ray","1.54184","CuKα","","0.1775","0.1443","","","0.4136","0.4559","","","","","","1.566","","","","has coordinates,has disorder","273762","2022-03-18","00:02:45",""
"7709772","34.1344","0.0008","39.0265","0.0009","54.2199","0.0015","90","","90","","90","","72229","3","120","0.1","120","0.1","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C144 H134 F18 N4 O22 P8 Pd2 Pt2 S6 -","- C144 H134 F18 N4 O22 P8 Pd2 Pt2 S6 -","- C2304 H2144 F288 N64 O352 P128 Pd32 Pt32 S96 -","16","0.5","","Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari","Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks","Dalton Transactions","2022","","","","","10.1039/D1DT03706D","","x-ray","1.54184","CuKα","","0.1818","0.1537","","","0.4237","0.4682","","","","","","1.602","","","","has coordinates,has disorder","273762","2022-03-18","00:02:45",""
"7709773","10.3563","0.0008","21.8893","0.0014","10.3852","0.0008","90","","101.339","0.007","90","","2308.3","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B2 Li N2 O3 -","- C22 H33 B2 Li N2 O3 -","- C88 H132 B8 Li4 N8 O12 -","4","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71073","MoKα","","0.1644","0.1169","","","0.3008","0.3323","","","","","","1.038","","","","has coordinates","273763","2022-03-18","00:04:32",""
"7709774","11.163","0.006","12.733","0.007","14.239","0.008","102.894","0.002","106.128","0.006","112.723","0.005","1664","1.6","93","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H52 B2 N2 P2 -","- C31 H52 B2 N2 P2 -","- C62 H104 B4 N4 P4 -","2","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71075","MoKα","","0.1193","0.0737","","","0.1401","0.1698","","","","","","1.045","","","","has coordinates","273763","2022-03-18","00:04:32",""
"7709775","12.1072","0.0002","18.3581","0.0003","16.2005","0.0003","90","","111.723","0.002","90","","3345.09","0.11","93","","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 B2 Ir N2 O P2 -","- C32 H51 B2 Ir N2 O P2 -","- C128 H204 B8 Ir4 N8 O4 P8 -","4","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71073","MoKα","","0.0292","0.0233","","","0.0516","0.0532","","","","","","1.036","","","","has coordinates","273763","2022-03-18","00:04:33",""
"7709776","12.0281","0.0003","19.0554","0.0004","16.3403","0.0004","90","","111.042","0.003","90","","3495.46","0.16","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B2 Cl Ir N2 O P2 -","- C32 H52 B2 Cl Ir N2 O P2 -","- C128 H208 B8 Cl4 Ir4 N8 O4 P8 -","4","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71073","MoKα","","0.039","0.0345","","","0.0883","0.0903","","","","","","1.049","","","","has coordinates","273763","2022-03-18","00:04:33",""
"7709777","12.1553","0.0003","18.4045","0.0004","15.9578","0.0004","90","","111.724","0.003","90","","3316.41","0.15","93","","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H52 B2 Cl Ir N2 P2 -","- C31 H52 B2 Cl Ir N2 P2 -","- C124 H208 B8 Cl4 Ir4 N8 P8 -","4","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71073","MoKα","","0.0255","0.0209","","","0.0495","0.0506","","","","","","1.04","","","","has coordinates","273763","2022-03-18","00:04:33",""
"7709778","12.0351","0.0003","14.6757","0.0004","20.6311","0.0006","90","","92.12","0.003","90","","3641.44","0.17","93","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 B2 Ir N2 P2 -","- C37 H57 B2 Ir N2 P2 -","- C148 H228 B8 Ir4 N8 P8 -","4","1","","Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion","Dalton Transactions","2022","","","","","10.1039/D2DT00513A","","","0.71073","MoKα","","0.0397","0.0371","","","0.0964","0.0976","","","","","","1.097","","","","has coordinates","273763","2022-03-18","00:04:33",""
"7709779","6.5238","0.0013","6.9618","0.0008","11.3592","0.0009","90","","90","","90","","515.91","0.13","101","2","101","2","","","","","","","","4","P n a 21","P 2c -2n","33","FOX-7-d4","d4-diamino-dinitroethene","","- C2 D4 N4 O4 -","- C2 D4 N4 O4 -","- C8 D16 N16 O16 -","4","1","","Klapoetke, Thomas M.; Krumm, Burkhard; Lechner, Jasmin; Stierstorfer, Joerg","Investigation of Deuterated FOX-7 – Changes in Structural Behavior and Energetic Characteristics after Deuteration at ambient conditions","Dalton Transactions","2022","","","","","10.1039/D2DT00490A","","x-ray","0.71073","MoKα","","0.0585","0.0442","","","0.0874","0.0937","","","","","","1.073","","","","has coordinates","273820","2022-03-18","23:54:51",""
"7709780","8.6624","0.0008","17.5364","0.0015","11.9951","0.0011","90","","103.261","0.003","90","","1773.6","0.3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl2 Co N3 -","- C18 H17 Cl2 Co N3 -","- C72 H68 Cl8 Co4 N12 -","4","1","","Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath","Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities","Dalton Transactions","2022","","","","","10.1039/D1DT04144D","","","0.71073","MoKα","","0.0449","0.0311","","","0.0719","0.0774","","","","","","1.029","","","","has coordinates","273821","2022-03-18","23:55:49",""
"7709781","11.4536","0.0005","13.5852","0.0005","15.5748","0.0007","90","","108.507","0.005","90","","2298.1","0.18","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl Co N4 O3 -","- C24 H23 Cl Co N4 O3 -","- C96 H92 Cl4 Co4 N16 O12 -","4","1","","Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath","Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities","Dalton Transactions","2022","","","","","10.1039/D1DT04144D","","x-ray","1.54184","CuKα","","0.0565","0.0383","","","0.086","0.0938","","","","","","1.029","","","","has coordinates","273821","2022-03-18","23:55:49",""
"7709782","18.4902","0.0002","14.7585","0.0002","21.6101","0.0002","90","","90","","90","","5897.13","0.12","273","","273","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H25 Cl Co F6 N5 P -","- C30 H25 Cl Co F6 N5 P -","- C240 H200 Cl8 Co8 F48 N40 P8 -","8","1","","Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath","Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities","Dalton Transactions","2022","","","","","10.1039/D1DT04144D","","x-ray","1.54184","CuKα","","0.0538","0.0364","","","0.0816","0.091","","","","","","1.029","","","","has coordinates","273821","2022-03-18","23:55:49",""
"7709783","9.2731","0.0004","12.8142","0.0006","15.5282","0.0007","113.007","0.004","96.28","0.004","92.907","0.004","1679.38","0.14","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 Cl Co F6 N5 P -","- C28 H25 Cl Co F6 N5 P -","- C56 H50 Cl2 Co2 F12 N10 P2 -","2","1","","Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath","Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities","Dalton Transactions","2022","","","","","10.1039/D1DT04144D","","x-ray","0.71073","MoKα","","0.0581","0.0419","","","0.0964","0.1059","","","","","","1.031","","","","has coordinates","273821","2022-03-18","23:55:49",""
"7709784","27.498","0.006","27.498","0.006","27.498","0.006","90","","90","","90","","20792","8","173","","173","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H45 Eu6 F8 N12 O27.5 -","- C72 H44.9988 Eu6 F8 N12 O27.5008 -","- C288 H179.995 Eu24 F32 N48 O110.003 -","4","0.0208333","","Xia, Tifeng; Cao, Wenqian; Guan, Lingling; Zhang, Jun; Jiang, Fudong; Yu, Libing; Wan, Yating","Three isostructural hexanuclear lanthanide–organic frameworks for sensitive luminescence temperature sensing over a wide range","Dalton Transactions","2022","","","","","10.1039/D1DT04190H","","x-ray","0.71073","MoKα","","0.0276","0.0259","","","0.0734","0.0744","","","","","","1.029","","","","has coordinates,has disorder","273881","2022-03-21","23:57:00",""
"7709785","12.425","0.0002","26.115","0.0005","17.3913","0.0004","90","","108.59","0.002","90","","5348.67","0.19","229.99","0.12","229.99","0.12","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H37 Cl9 F6 N4 O2 P Sb -","- C49 H37 Cl9 F6 N4 O2 P Sb -","- C196 H148 Cl36 F24 N16 O8 P4 Sb4 -","4","1","","Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.","Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins","Dalton Transactions","2022","","","","","10.1039/D2DT00675H","","x-ray","1.54184","CuKα","","0.0959","0.0746","","","0.1771","0.189","","","","","","1.082","","","","has coordinates,has disorder","273882","2022-03-21","23:58:12",""
"7709786","30.6284","0.0007","10.7528","0.0001","20.9262","0.0005","90","","132.011","0.004","90","","5120.8","0.4","219.99","0.11","219.99","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 F6 N4 O8 P Sb -","- C56 H54 F6 N4 O8 P Sb -","- C224 H216 F24 N16 O32 P4 Sb4 -","4","0.5","","Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.","Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins","Dalton Transactions","2022","","","","","10.1039/D2DT00675H","","x-ray","1.54184","CuKα","","0.0396","0.0369","","","0.1038","0.106","","","","","","1.095","","","","has coordinates,has disorder","273882","2022-03-21","23:58:13",""
"7709787","8.52553","0.00012","14.3097","0.0002","14.55804","0.00017","104.063","0.0011","103.83","0.0011","102.004","0.0012","1604.74","0.04","229.99","0.11","229.99","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C60 H60 Cl6 F6 N4 O14 P Sb -","- C60 H60 Cl6 F6 N4 O14 P Sb -","- C60 H60 Cl6 F6 N4 O14 P Sb -","1","0.5","","Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.","Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins","Dalton Transactions","2022","","","","","10.1039/D2DT00675H","","x-ray","1.54184","CuKα","","0.0623","0.0618","","","0.1642","0.1647","","","","","","1.038","","","","has coordinates,has disorder","273882","2022-03-21","23:58:13",""
"7709788","15.21938","0.00012","25.8007","0.00018","45.156","0.0004","90","","90.6426","0.0008","90","","17730.3","0.2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H86 F6 N4 O10 P Sb -","- C54 H50 F6 N4 O10 P Sb -","- C648 H600 F72 N48 O120 P12 Sb12 -","12","1.5","","Holzer, Noah; Sharma, Jatan K.; Peterson, Steven; Bayard, Brandon J.; Nesterov, Vladimir; Karr, Paul A.; D'Souza, Francis; Poddutoori, Prashanth K.","Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in Hypervalent Antimony(V) Porphyrins","Dalton Transactions","2022","","","","","10.1039/D2DT00675H","","x-ray","1.54184","CuKα","","0.05","0.0471","","","0.1225","0.1243","","","","","","1.062","","","","has coordinates,has disorder","273882","2022-03-21","23:58:13",""
"7709789","21.1052","0.0011","13.4854","0.0004","8.4582","0.0004","90","","90.366","0.004","90","","2407.26","0.18","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cu N5 O15 -","- C21 H17 Cu N5 O15 -","- C84 H68 Cu4 N20 O60 -","4","0.5","","Valigura, Dušan; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Bieńko, Alina; Boča, Roman","Unusual slow magnetic relaxation in a mononuclear copper(ii) complex","Dalton Transactions","2022","","","","","10.1039/D2DT00023G","","","1.54186","CuKα","","0.036","0.0292","","","0.0795","0.0818","","","","","","1.057","","","","has coordinates","273902","2022-03-22","23:50:01",""
"7709790","21.1547","0.0004","13.7108","0.0003","8.5157","0.0001","90","","90.397","0.001","90","","2469.9","0.08","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cu N5 O15 -","- C21 H17 Cu N5 O15 -","- C84 H68 Cu4 N20 O60 -","4","0.5","","Valigura, Dušan; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Bieńko, Alina; Boča, Roman","Unusual slow magnetic relaxation in a mononuclear copper(ii) complex","Dalton Transactions","2022","","","","","10.1039/D2DT00023G","","","0.71069","MoKα","","0.0523","0.0324","","","0.0857","0.0945","","","","","","1.073","","","","has coordinates","273902","2022-03-22","23:50:01",""
"7709791","7.7389","0.0011","10.6086","0.0015","10.6178","0.0015","112.829","0.002","90.455","0.002","104.055","0.002","774.27","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl4 Cu2 O23 -","- C20 H26 Cl4 Cu2 O23 -","- C20 H26 Cl4 Cu2 O23 -","1","0.5","","Zhou, Liang; Ruan, Mingming; Meng, Wei; Wang, Qianping; Liu, Bo; Xuan, Xiaopeng; Zhang, Jun","Two-dimensional coordination polymers with high proton conductivity and ultrafast highly efficient molecular sieving constructed by structural inductive effect","Dalton Transactions","2022","","","","","10.1039/D2DT00364C","","","0.71073","MoKα","","0.0762","0.0574","","","0.1554","0.1677","","","","","","1.064","","","","has coordinates","273903","2022-03-22","23:50:45",""
"7709792","7.6566","0.0004","10.5717","0.0005","10.5825","0.0005","67.116","0.002","89.982","0.002","75.517","0.002","759.56","0.07","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Br2 Cu2 O23 -","- C20 H24 Br2 Cu2 O23 -","- C20 H24 Br2 Cu2 O23 -","1","0.5","","Zhou, Liang; Ruan, Mingming; Meng, Wei; Wang, Qianping; Liu, Bo; Xuan, Xiaopeng; Zhang, Jun","Two-dimensional coordination polymers with high proton conductivity and ultrafast highly efficient molecular sieving constructed by structural inductive effect","Dalton Transactions","2022","","","","","10.1039/D2DT00364C","","x-ray","0.71073","MoKα","","0.1087","0.0807","","","0.1862","0.2049","","","","","","1.085","","","","has coordinates,has disorder","273903","2022-03-22","23:50:45",""
"7709793","7.6629","0.0006","10.573","0.0009","10.5855","0.0009","67.176","0.003","89.856","0.003","75.429","0.003","760.7","0.11","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cu2 I2 O23 -","- C20 H24 Cu2 I2 O23 -","- C20 H24 Cu2 I2 O23 -","1","0.5","","Zhou, Liang; Ruan, Mingming; Meng, Wei; Wang, Qianping; Liu, Bo; Xuan, Xiaopeng; Zhang, Jun","Two-dimensional coordination polymers with high proton conductivity and ultrafast highly efficient molecular sieving constructed by structural inductive effect","Dalton Transactions","2022","","","","","10.1039/D2DT00364C","","x-ray","0.71073","MoKα","","0.1361","0.0967","","","0.2243","0.2498","","","","","","1.065","","","","has coordinates","273903","2022-03-22","23:50:46",""
"7709794","10.8467","0.0004","12.2159","0.0004","13.8073","0.0004","66.376","0.002","75.966","0.002","76.691","0.002","1607.83","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H52 Ge Si4 -","- C24 H52 Ge Si4 -","- C48 H104 Ge2 Si8 -","2","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0527","0.0358","","","0.0908","0.0981","","","","","","1.06","","","","has coordinates","273905","2022-03-22","23:53:13",""
"7709795","12.3798","0.0004","13.193","0.0004","14.5014","0.0005","76.764","0.002","74.374","0.002","86.728","0.002","2220.31","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H68 Ge N2 -","- C49 H68 Ge N2 -","- C98 H136 Ge2 N4 -","2","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0361","0.0288","","","0.0667","0.0704","","","","","","1.037","","","","has coordinates","273905","2022-03-22","23:53:14",""
"7709796","9.1345","0.0002","12.1875","0.0003","17.1264","0.0003","108.137","0.001","95.735","0.001","104.11","0.001","1724.96","0.07","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H108 Si8 Sn2 -","- C54 H108 Si8 Sn2 -","- C54 H108 Si8 Sn2 -","1","0.5","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0243","0.0219","","","0.0583","0.06","","","","","","1.065","","","","has coordinates","273905","2022-03-22","23:53:14",""
"7709797","15.8808","0.0005","14.7774","0.0005","23.6977","0.0008","90","","107.598","0.002","90","","5301","0.3","117","2","117","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H82 Ge K O7 Si4 -","- C40 H82 Ge K O7 Si4 -","- C160 H328 Ge4 K4 O28 Si16 -","4","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.042","0.03","","","0.0747","0.0816","","","","","","1.055","","","","has coordinates,has disorder","273905","2022-03-22","23:53:14",""
"7709798","12.5225","0.0004","16.1355","0.0005","18.0799","0.0005","103.153","0.002","100.644","0.002","93.328","0.002","3476.95","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H67 Al F36 O6 Si4 Sn -","- C48 H67 Al F36 O6 Si4 Sn -","- C96 H134 Al2 F72 O12 Si8 Sn2 -","2","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0739","0.0546","","","0.1339","0.1469","","","","","","1.032","","","","has coordinates","273905","2022-03-22","23:53:14",""
"7709799","9.4078","0.0001","12.5125","0.0002","20.8396","0.0003","89.43","0.001","88.555","0.001","72.121","0.001","2333.92","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H142 Br4 Li2 O4 Pb2 Si8 -","- C69 H142 Br4 Li2 O4 Pb2 Si8 -","- C69 H142 Br4 Li2 O4 Pb2 Si8 -","1","0.5","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0445","0.0365","","","0.0879","0.0912","","","","","","1.049","","","","has coordinates,has disorder","273905","2022-03-22","23:53:14",""
"7709800","9.4333","0.0003","12.6264","0.0004","20.6027","0.0006","89.215","0.001","89.821","0.001","71.594","0.001","2328.2","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H72 Br2 Li O2 Si4 Sn -","- C35 H72 Br2 Li O2 Si4 Sn -","- C70 H144 Br4 Li2 O4 Si8 Sn2 -","2","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0359","0.0298","","","0.0761","0.0792","","","","","","1.018","","","","has coordinates,has disorder","273905","2022-03-22","23:53:15",""
"7709801","16.6242","0.0004","9.136","0.0002","21.6779","0.0005","90","","101.777","0.001","90","","3223.1","0.13","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Si4 Sn -","- C24 H52 Si4 Sn -","- C96 H208 Si16 Sn4 -","4","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0529","0.0402","","","0.0816","0.0849","","","","","","1.122","","","","has coordinates","273905","2022-03-22","23:53:15",""
"7709802","25.4342","0.0003","9.565","0.0001","19.629","0.0003","90","","90","","90","","4775.31","0.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H75 K O6 Si4 Sn -","- C36 H75 K O6 Si4 Sn -","- C144 H300 K4 O24 Si16 Sn4 -","4","1","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0348","0.0266","","","0.0505","0.0533","","","","","","1.018","","","","has coordinates","273905","2022-03-22","23:53:15",""
"7709803","14.0474","0.0004","22.5485","0.0006","27.1022","0.0007","113.604","0.001","95.459","0.001","95.642","0.001","7742.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H126 Ge2 Li2 O3 Si8 -","- C60 H126 Ge2 Li2 O3 Si8 -","- C240 H504 Ge8 Li8 O12 Si32 -","4","2","","Wesemann, Lars; Auer, Maximilian; Diab, Fatima; Schubert, Hartmut; Eichele, Klaus","Reactivity of Organogermanium and Organotin Trihydrides","Dalton Transactions","2022","","","","","10.1039/D2DT00681B","","","0.71073","MoKα","","0.0533","0.0331","","","0.074","0.0812","","","","","","1.008","","","","has coordinates,has disorder","273905","2022-03-22","23:53:15",""
"7709804","14.8423","0.0013","17.3694","0.0016","27.211","0.002","79.415","0.001","74.467","0.001","70.375","0.001","6332.2","0.9","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H116 Cu3 F36 N12 O5 P6 Si6 -","- C81.023 H107.395 Cu3 F36 N12 O3.107 P6 Si6 -","- C162.046 H214.79 Cu6 F72 N24 O6.214 P12 Si12 -","2","1","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.71073","MoKα","","0.1065","0.0689","","","0.1923","0.2328","","","","","","1.046","","","","has coordinates,has disorder","273906","2022-03-22","23:55:26",""
"7709805","22.901","0.003","22.901","0.003","22.901","0.003","90","","90","","90","","12011","3","223","2","223","2","","","","","","","","8","P 2 3","P 2 2 3","195","","","","- C168 H240 Cl2 Cu6 F30 N24 O20 Si17 -","- C156 H192 Cl2 Cu6 F30.0004 N24 O8 Si17 -","- C312 H384 Cl4 Cu12 F60.0008 N48 O16 Si34 -","2","0.166667","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.76","synchrotron","","0.1113","0.0752","","","0.2302","0.2581","","","","","","1.003","","","","has coordinates,has disorder","273906","2022-03-22","23:55:26",""
"7709806","23.392","0.009","37.04","0.02","24.939","0.009","90","","90","","90","","21608","16","173","2","173","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C78 H96 Cu3 F30 N12 Sb4 Si7 -","- C78 H96 Cu3 F30 N12 Sb4 Si7 -","- C624 H768 Cu24 F240 N96 Sb32 Si56 -","8","1","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.71073","MoKα","","0.2005","0.0927","","","0.2254","0.2975","","","","","","1.048","","","","has coordinates,has disorder","273906","2022-03-22","23:55:27",""
"7709807","22.8679","0.0004","22.8679","0.0004","22.8679","0.0004","90","","90","","90","","11958.6","0.4","173","2","173","2","","","","","","","","7","P 2 3","P 2 2 3","195","","","","- C28 H40 B0.33 Cu F6.33 N4 Si2.83 -","- C26 H32 B0.346667 Cu F6.05333 N4 Si2.83333 -","- C312 H384 B4.16 Cu12 F72.64 N48 Si34 -","12","1","","Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT00500J","","","0.71073","MoKα","","0.136","0.0778","","","0.2069","0.2675","","","","","","1.094","","","","has coordinates,has disorder","273906","2022-03-22","23:55:27",""
"7709808","10.632","0.0002","10.632","0.0002","37.386","0.0013","90","","90","","120","","3659.9","0.16","100","2","100.15","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ca3.01 O8 V2 -","- Ca3.00629 O8 V2 -","- Ca63.132 O168 V42 -","21","1.16667","","Kuzmicheva, Galina; Ivleva, Liudmila; Kaurova, Irina; Khramov, Evgeny; Lazarenko, Vladimir; Rybakov, Victor Borisovich; Svetogorov, Roman; Doroshenko, M. E.","Revealing the peculiar local behavior of manganese and cobalt in diffusion-doped сalcium orthovanadate Ca3(VO4)2","Dalton Transactions","2022","","","","","10.1039/D1DT03799D","","","0.7532","synchrotron","","0.0409","0.0403","","","0.105","0.1073","","","","","","1.05","","","","has coordinates,has disorder","273940","2022-03-23","23:53:22",""
"7709809","11.0956","0.0003","8.5168","0.0002","10.9183","0.0003","90","","107.151","0.001","90","","985.89","0.04","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O7 Zn -","- C8 H12 O7 Zn -","- C32 H48 O28 Zn4 -","4","1","","Wang, Jia; Huang, Xiange; Li, Hegen; Yan, Deyue; Huang, Wei","Two Zn(ii) coordination polymers with anticancer drug norcantharidin as ligands for cancer chemotherapy","Dalton Transactions","2022","","","","","10.1039/D2DT00300G","","","1.54178","CuKα","","0.0279","0.0271","","","0.0803","0.0812","","","","","","1.092","","","","has coordinates","273941","2022-03-23","23:53:56",""
"7709810","16.9434","0.0005","17.4308","0.0005","17.77","0.0005","107.588","0.001","102.592","0.002","117.115","0.001","4042.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 O72 Zn18.14 -","- C96 H96 O72 Zn18.14 -","- C96 H96 O72 Zn18.14 -","1","0.5","","Wang, Jia; Huang, Xiange; Li, Hegen; Yan, Deyue; Huang, Wei","Two Zn(ii) coordination polymers with anticancer drug norcantharidin as ligands for cancer chemotherapy","Dalton Transactions","2022","","","","","10.1039/D2DT00300G","","","1.54178","CuKα","","0.0473","0.0388","","","0.1166","0.1217","","","","","","1.064","","","","has coordinates","273941","2022-03-23","23:53:57",""
"7709811","7.7468","0.00001","7.7468","0.00001","46.3657","0.0005","90","","90","","120","","2409.75","0.03","292.6","0.3","292.6","0.3","","","","","","","","4","R 3 :H","R 3","146","","","","- B26.33 O46 Sr2 Tb3 -","- B26.3334 O46 Sr2 Tb3 -","- B79.0002 O138 Sr6 Tb9 -","3","0.333333","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth borates Sr2Tb3B27-δO46 and Ba2Eu3B27-δO46 (δ = 2/3): Syntheses, crystal structures, and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D1DT04257B","","x-ray","0.71073","MoKα","","0.05","0.0474","","","0.1119","0.1142","","","","","","1.081","","","","has coordinates","273942","2022-03-23","23:54:40",""
"7709812","7.7964","0.0001","7.7964","0.0001","46.5086","0.0006","90","","90","","120","","2448.23","0.05","290.29","0.15","290.29","0.15","","","","","","","","4","R 3 :H","R 3","146","","","","- B26.33 Ba2 Eu3 O46 -","- B26.3334 Ba2 Eu3 O46 -","- B79.0002 Ba6 Eu9 O138 -","3","0.333333","","Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth borates Sr2Tb3B27-δO46 and Ba2Eu3B27-δO46 (δ = 2/3): Syntheses, crystal structures, and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D1DT04257B","","x-ray","0.71073","MoKα","","0.0409","0.0405","","","0.1019","0.1021","","","","","","1.067","","","","has coordinates","273942","2022-03-23","23:54:41",""
"7709813","9.6894","0.00011","10.29021","0.00014","12.63823","0.00014","90","","90","","90","","1260.11","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 B2 -","- C14 H18 B2 -","- C56 H72 B8 -","4","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0349","0.0346","","","0.0944","0.0946","","","","","","1.05","","","","has coordinates","273943","2022-03-23","23:57:40",""
"7709814","12.1822","0.0005","13.9482","0.0007","16.4722","0.0006","90.861","0.003","107.767","0.004","91.957","0.004","2663","0.2","99.97","0.15","99.97","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 B2 N2 P -","- C28 H39 B2 N2 P -","- C112 H156 B8 N8 P4 -","4","2","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0515","0.0404","","","0.1038","0.1076","","","","","","0.948","","","","has coordinates","273943","2022-03-23","23:57:41",""
"7709815","9.8318","0.0001","24.301","0.0002","11.7375","0.0001","90","","108.063","0.001","90","","2666.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 S -","- C28 H38 B2 N2 S -","- C112 H152 B8 N8 S4 -","4","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0366","0.0354","","","0.0947","0.0956","","","","","","1.043","","","","has coordinates,has disorder","273943","2022-03-23","23:57:41",""
"7709816","17.4262","0.0003","9.40374","0.00016","17.0884","0.0003","90","","90","","90","","2800.3","0.08","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H41 B2 N3 O -","- C30 H41 B2 N3 O -","- C120 H164 B8 N12 O4 -","4","0.5","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","0.71073","MoKα","","0.0465","0.0417","","","0.112","0.1154","","","","","","1.069","","","","has coordinates","273943","2022-03-23","23:57:41",""
"7709817","9.8912","0.0002","10.6797","0.0003","15.5211","0.0005","93.079","0.002","92.337","0.002","94.679","0.002","1630.07","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 B2 N4 P -","- C32 H54 B2 N4 P -","- C64 H108 B4 N8 P2 -","2","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0525","0.0499","","","0.1377","0.1412","","","","","","1.034","","","","has coordinates,has disorder","273943","2022-03-23","23:57:42",""
"7709818","9.811","0.0005","16.5987","0.0007","17.3054","0.0007","81.602","0.004","85.872","0.004","85.229","0.004","2773.2","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H77 B4 N7 -","- C60 H77 B4 N7 -","- C120 H154 B8 N14 -","2","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0633","0.0482","","","0.1223","0.1366","","","","","","1.013","","","","has coordinates","273943","2022-03-23","23:57:42",""
"7709819","9.2999","0.0006","11.8087","0.0006","12.2905","0.0008","63.869","0.006","83.717","0.006","81.57","0.005","1197.16","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 B2 N2 P -","- C24 H37 B2 N2 P -","- C48 H74 B4 N4 P2 -","2","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0427","0.0349","","","0.0855","0.0906","","","","","","1.024","","","","has coordinates,has disorder","273943","2022-03-23","23:57:42",""
"7709820","12.0261","0.0003","41.6493","0.0015","16.3643","0.0004","90","","108.63","0.003","90","","7767","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 B2 N3 -","- C28 H39 B2 N3 -","- C336 H468 B24 N36 -","12","3","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0916","0.08","","","0.2069","0.2158","","","","","","1.073","","","","has coordinates","273943","2022-03-23","23:57:42",""
"7709821","10.1038","0.0004","11.6718","0.0004","12.9599","0.0004","64.302","0.003","88.211","0.003","78.193","0.003","1345.18","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 As B2 N3 -","- C26 H39.6178 As B2 N3 -","- C52 H79.2356 As2 B4 N6 -","2","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0526","0.0454","","","0.1203","0.1265","","","","","","1.03","","","","has coordinates,has disorder","273943","2022-03-23","23:57:42",""
"7709822","9.84533","0.00019","24.1693","0.0004","11.8937","0.0002","90","","107.928","0.002","90","","2692.74","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 Se -","- C28 H38 B2 N2 Se -","- C112 H152 B8 N8 Se4 -","4","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.0943","0.0996","","","","","","1.079","","","","has coordinates,has disorder","273943","2022-03-23","23:57:42",""
"7709823","12.06495","0.00018","14.3416","0.0002","15.7603","0.0002","90.0174","0.0012","90.4587","0.0013","110.275","0.0014","2557.95","0.07","200","0.1","200","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 B2 N2 -","- C28 H38 B2 N2 -","- C112 H152 B8 N8 -","4","2","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","0.71073","MoKα","","0.0869","0.0573","","","0.1588","0.1754","","","","","","1.018","","","","has coordinates","273943","2022-03-23","23:57:42",""
"7709824","10.0436","0.0007","18.5322","0.0014","25.0944","0.0018","101.575","0.002","97.944","0.002","97.164","0.002","4475.6","0.6","119.98","","119.98","","","","","","","","","10","P -1","-P 1","2","","","","- C106 H118 B4 Cl6 Cu12 F6 N30 O6 S14 W4 -","- C106 H118 B4 Cl6 Cu12 F6 N30 O6 S14 W4 -","- C106 H118 B4 Cl6 Cu12 F6 N30 O6 S14 W4 -","1","0.5","","Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping","Construction of cluster-based supramolecular wire and rectangle","Dalton Transactions","2022","","","","","10.1039/D2DT00344A","","","0.71073","MoKα","","0.103","0.0677","","","0.1538","0.1694","","","","","","1.036","","","","has coordinates","273944","2022-03-23","23:59:57",""
"7709825","16.8463","0.0009","17.3053","0.001","12.4887","0.0008","90","","113.894","0.001","90","","3328.8","0.3","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.6 H53.6 B2 Cl6.8 Cu4 N16 S8 W2 -","- C45.6 H53.6 B2 Cl6.8 Cu4 N16 S8 W2 -","- C91.2 H107.2 B4 Cl13.6 Cu8 N32 S16 W4 -","2","0.5","","Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping","Construction of cluster-based supramolecular wire and rectangle","Dalton Transactions","2022","","","","","10.1039/D2DT00344A","","","0.71073","MoKα","","0.0567","0.0342","","","0.0692","0.0766","","","","","","1.017","","","","has coordinates","273944","2022-03-24","00:00:15",""
"7709826","9.8327","0.0007","16.2223","0.0012","25.3788","0.0017","91.961","0.002","91.493","0.002","104.795","0.002","3909.1","0.5","120.03","","120.03","","","","","","","","","10","P -1","-P 1","2","","","","- C108 H116 B4 Cl6 Cu12 F6 N28 O8 S14 W4 -","- C108 H116 B4 Cl6 Cu12 F6 N28 O8 S14 W4 -","- C108 H116 B4 Cl6 Cu12 F6 N28 O8 S14 W4 -","1","0.5","","Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping","Construction of cluster-based supramolecular wire and rectangle","Dalton Transactions","2022","","","","","10.1039/D2DT00344A","","","0.71073","MoKα","","0.0748","0.0516","","","0.1155","0.1242","","","","","","1.036","","","","has coordinates","273944","2022-03-24","00:00:16",""
"7709827","26.3933","0.001","26.3933","0.001","25.7305","0.001","90","","90","","120","","15522.7","1","120.01","","120.01","","","","","","","","","10","P -3","-P 3","147","","","","- C113.2 H131.8 B4 Cl8 Cu12 F6 N29.4 O7.4 S14 W4 -","- C113.2 H131.8 B4 Cl8 Cu12 F6 N29.4 O7.4 S14 W4 -","- C339.6 H395.4 B12 Cl24 Cu36 F18 N88.2 O22.2 S42 W12 -","3","0.5","","Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping","Construction of cluster-based supramolecular wire and rectangle","Dalton Transactions","2022","","","","","10.1039/D2DT00344A","","","0.71073","MoKα","","0.0778","0.0535","","","0.1346","0.1665","","","","","","1.115","","","","has coordinates,has disorder","273944","2022-03-24","00:00:16",""
"7709828","16.621","0.003","11.825","0.002","20.184","0.004","90","","99.4","0.004","90","","3913.8","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Cl2 N5 Ni O4 -","- C43 H39 Cl2 N5 Ni O4 -","- C172 H156 Cl8 N20 Ni4 O16 -","4","1","","Lee, Jhen-Yi; Hsieh, Meng-Jun; Ho, Tsai-En; Wu, Bo-Hsin; Lee, Hon Man","Nickel(II) complexes containing tridentate ONCi Ligands (i = abnormal N-heterocyclic carbene donors) and their catalytic application in Suzuki-Miyaura coupling reaction","Dalton Transactions","2022","","","","","10.1039/D1DT04114B","","","0.71073","MoKα","","0.0764","0.0547","","","0.1443","0.1629","","","","","","1.057","","","","has coordinates,has disorder","273945","2022-03-24","00:01:36",""
"7709829","10.403","0.006","27.246","0.014","8.775","0.005","90","","102.236","0.015","90","","2431","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 F N4 Ni O2 -","- C29 H23 F N4 Ni O2 -","- C116 H92 F4 N16 Ni4 O8 -","4","1","","Lee, Jhen-Yi; Hsieh, Meng-Jun; Ho, Tsai-En; Wu, Bo-Hsin; Lee, Hon Man","Nickel(II) complexes containing tridentate ONCi Ligands (i = abnormal N-heterocyclic carbene donors) and their catalytic application in Suzuki-Miyaura coupling reaction","Dalton Transactions","2022","","","","","10.1039/D1DT04114B","","x-ray","0.71073","MoKα","","0.1377","0.0623","","","0.1301","0.1719","","","","","","0.945","","","","has coordinates","273945","2022-03-24","00:01:37",""
"7709830","9.003","0.004","15.252","0.006","30.153","0.012","90","","96.36","0.03","90","","4115","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 F2 N5 Ni O2 -","- C40 H31 F2 N5 Ni O2 -","- C160 H124 F8 N20 Ni4 O8 -","4","1","","Lee, Jhen-Yi; Hsieh, Meng-Jun; Ho, Tsai-En; Wu, Bo-Hsin; Lee, Hon Man","Nickel(II) complexes containing tridentate ONCi Ligands (i = abnormal N-heterocyclic carbene donors) and their catalytic application in Suzuki-Miyaura coupling reaction","Dalton Transactions","2022","","","","","10.1039/D1DT04114B","","","0.71073","MoKα","","0.3032","0.1242","","","0.3093","0.4371","","","","","","1.017","","","","has coordinates","273945","2022-03-24","00:01:37",""
"7709831","23.067","0.003","23.067","0.003","17.923","0.003","90","","90","","90","","9537","2","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C10 H7 Cu2.74 K1.68 La0.51 O17.62 -","- C10 H7 Cu2.74125 K1.675 La0.50875 O17.6162 -","- C160 H112 Cu43.86 K26.8 La8.14 O281.86 -","16","1","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.042","0.0394","","","0.1155","0.1189","","","","","","1.059","","","","has coordinates,has disorder","273952","2022-03-24","23:57:38",""
"7709832","23.212","0.003","23.212","0.003","18.09","0.003","90","","90","","90","","9747","2","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C40 H28 Ce2.02 Cu10.98 K6.7 O70.58 -","- C40 H28 Ce2.021 Cu10.979 K6.7 O70.579 -","- C160 H112 Ce8.084 Cu43.916 K26.8 O282.316 -","4","0.25","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0676","0.0581","","","0.1532","0.1624","","","","","","1.062","","","","has coordinates,has disorder","273952","2022-03-24","23:57:43",""
"7709833","23.119","0.009","23.119","0.009","17.971","0.008","90","","90","","90","","9605","7","423","2","423","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C20 H14 Cu5.48 K3.35 La1.02 O35.18 -","- C20 H14 Cu5.4795 K3.35 La1.0205 O35.1795 -","- C160 H112 Cu43.836 K26.8 La8.164 O281.436 -","8","0.5","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0488","0.0428","","","0.1229","0.1293","","","","","","1.069","","","","has coordinates,has disorder","273952","2022-03-24","23:57:49",""
"7709834","39.5746","0.0014","39.5746","0.0014","39.5746","0.0014","90","","90","","90","","61980","4","273","2","273","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C20 H14 Cu5.5 K2.25 O33.38 Pr -","- C20 H14 Cu5.5 K2.216 O35.614 Pr -","- C960 H672 Cu264 K106.368 O1709.47 Pr48 -","48","1","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0627","0.06","","","0.1696","0.1735","","","","","","1.068","","","","has coordinates,has disorder","273952","2022-03-24","23:57:49",""
"7709835","39.543","0.008","39.543","0.008","39.543","0.008","90","","90","","90","","61831","2","273","2","273","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C60 H42 Cu16.5 K6.75 O100.12 Pr3 -","- C60 H42 Cu16.5 K6.693 O106.422 Pr3 -","- C960 H672 Cu264 K107.088 O1702.75 Pr48 -","16","0.333333","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.065","0.0527","","","0.1407","0.1523","","","","","","1.059","","","","has coordinates,has disorder","273952","2022-03-24","23:57:49",""
"7709836","39.498","0.002","39.498","0.002","39.498","0.002","90","","90","","90","","61621","5","273","2","273","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C80 H52 Cu22 K9 Nd4 O133 -","- C80 H52 Cu22 K9 Nd4 O140.42 -","- C960 H624 Cu264 K108 Nd48 O1685.04 -","12","0.25","","Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun","Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties","Dalton Transactions","2022","","","","","10.1039/D2DT00117A","","","0.71073","MoKα","","0.0438","0.0424","","","0.12","0.1213","","","","","","1.086","","","","has coordinates,has disorder","273952","2022-03-24","23:57:49",""
"7709837","22.7296","0.0006","22.0828","0.0005","27.8147","0.0008","90","","96.068","0.002","90","","13882.9","0.6","100","0.3","100","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H177 N32 O169.3 S34 Ti26 -","- C48 H88 N16 O168.8 S34 Ti26 -","- C96 H176 N32 O337.6 S68 Ti52 -","2","0.5","","Chintakrinda, Kalpana; Narayanam, Nagaraju; Chen, Guang-Hui; Wang, Fei; Zhang, Jian; Zhang, Lei","Inorganic acid influenced formation of Ti26 and Ti44 oxysulfates clusters with toroidal and capsule structures","Dalton Transactions","2022","","","","","10.1039/D2DT00119E","","x-ray","1.54184","CuKα","","0.1183","0.0869","","","0.2429","0.2803","","","","","","1.04","","","","has coordinates,has disorder","273953","2022-03-24","23:59:23",""
"7709838","19.0656","0.0006","20.2491","0.0007","27.7949","0.0009","92.297","0.003","98.803","0.003","117.541","0.003","9326.9","0.6","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C162 H297 N54 O244 P8 S40 Ti44 -","- C108 H198 N36 O244 P8 S40 Ti44 -","- C108 H198 N36 O244 P8 S40 Ti44 -","1","0.5","","Chintakrinda, Kalpana; Narayanam, Nagaraju; Chen, Guang-Hui; Wang, Fei; Zhang, Jian; Zhang, Lei","Inorganic acid influenced formation of Ti26 and Ti44 oxysulfates clusters with toroidal and capsule structures","Dalton Transactions","2022","","","","","10.1039/D2DT00119E","","","1.54184","CuKα","","0.1527","0.1114","","","0.2967","0.3467","","","","","","1.106","","","","has coordinates,has disorder","273953","2022-03-24","23:59:24",""
"7709839","14.7108","0.0017","27.961","0.002","13.5892","0.0013","90","","116.576","0.013","90","","4999","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N4 O12 S Zn -","- C40 H40 N4 O12 S Zn -","- C160 H160 N16 O48 S4 Zn4 -","4","0.5","","Chen, Yun-Rui; Jia, Meng-Ze; Pan, Jia-Qi; Tan, Bin; Zhang, Jie","Photomechanical behavior triggered by [2 + 2] cycloaddition and photochromism of pyridinium-functionalized coordination complex","Dalton Transactions","2022","","","","","10.1039/D2DT00599A","","","0.71073","MoKα","","0.0588","0.0439","","","0.124","0.1374","","","","","","1.023","","","","has coordinates,has disorder","273954","2022-03-25","00:00:01",""
"7709840","14.611","0.003","28.055","0.003","13.583","0.003","90","","116.71","0.02","90","","4973.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N4 O12 S Zn -","- C40 H40 N4 O12 S Zn -","- C160 H160 N16 O48 S4 Zn4 -","4","0.5","","Chen, Yun-Rui; Jia, Meng-Ze; Pan, Jia-Qi; Tan, Bin; Zhang, Jie","Photomechanical behavior triggered by [2 + 2] cycloaddition and photochromism of pyridinium-functionalized coordination complex","Dalton Transactions","2022","","","","","10.1039/D2DT00599A","","","0.71073","MoKα","","0.0847","0.053","","","0.1366","0.1537","","","","","","1.048","","","","has coordinates,has disorder","273954","2022-03-25","00:00:01",""
"7709841","10.783","0.002","11.142","0.002","20.298","0.004","75.74","0.03","82.53","0.03","69.79","0.03","2215.3","0.9","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H46 Cl2 N2 -","- C61 H46 Cl2 N2 -","- C122 H92 Cl4 N4 -","2","1","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.0903","0.061","","","0.1608","0.1834","","","","","","1.026","","","","has coordinates","273955","2022-03-25","00:01:15",""
"7709842","10.561","0.002","17.422","0.004","18.771","0.004","68.383","0.006","83.176","0.007","85.889","0.007","3186.6","1.2","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H64 B2 -","- C70 H64 B2 -","- C140 H128 B4 -","2","1","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.1814","0.0775","","","0.2132","0.2905","","","","","","0.821","","","","has coordinates","273955","2022-03-25","00:01:16",""
"7709843","19.7342","0.001","11.7167","0.0006","18.0696","0.0008","90","","104.275","0.002","90","","4049","0.3","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 N2 -","- C58 H40 N2 -","- C232 H160 N8 -","4","0.5","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.054","0.0379","","","0.0908","0.1009","","","","","","1.035","","","","has coordinates","273955","2022-03-25","00:01:16",""
"7709844","8.4824","0.0004","42.596","0.002","8.6068","0.0005","90","","117.974","0.002","90","","2746.4","0.2","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C66 H56 B N -","- C66 H56 B N -","- C132 H112 B2 N2 -","2","1","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.1061","0.0498","","","0.1444","0.1999","","","","","","0.688","","","","has coordinates","273955","2022-03-25","00:01:16",""
"7709845","24.238","0.002","11.9329","0.001","18.7679","0.0015","90","","108.152","0.003","90","","5158.1","0.7","217","2","217","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H54 B Cl2 N -","- C65 H54 B Cl2 N -","- C260 H216 B4 Cl8 N4 -","4","1","","Zhao, Fei; Zhao, Jingyi; Wang, Yu; Liu, Hou-Ting; Shang, Qinghai; Wang, Nan; Yin, Xiaodong; Zheng, Xiaoyan; Chen, Pangkuan","[5]Helicene-Based Chiral Triarylboranes with Large Luminescence Dissymmetry Factor Over 10-2 Level: Synthesis and Design Strategy via Isomeric Tuning of Steric Substitutions","Dalton Transactions","2022","","","","","10.1039/D2DT00677D","","","0.71073","MoKα","","0.2224","0.0871","","","0.2386","0.3184","","","","","","1.016","","","","has coordinates","273955","2022-03-25","00:01:16",""
"7709846","30.492","0.002","11.9895","0.0009","21.9612","0.0017","90","","109.883","0.001","90","","7550.1","1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 N18 O26 S2 Zn3 -","- C46 H46 N14 O24 S2 Zn3 -","- C184 H184 N56 O96 S8 Zn12 -","4","0.5","","Cai, He-Qun; Zeng, Guang; You, Zi-Xin; Wang, Chen; Sun, Li-Xian; Bai, Feng-Ying; Xing, Yong-Heng","Cu(ii) and Zn(ii) frameworks constructed by directional tuning of diverse substituted groups on a triazine skeleton and supermassive adsorption behavior for iodine and dyes","Dalton Transactions","2022","","","","","10.1039/D2DT00067A","","","0.71073","MoKα","","0.0837","0.0428","","","0.091","0.1065","","","","","","0.9619","","","","has coordinates","274012","2022-03-25","23:57:24",""
"7709847","27.9557","0.0009","27.9557","0.0009","27.9557","0.0009","90","","90","","90","","21848","1.2","296","2","","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C49 H140 Cl Cu2 N15 O49 -","- C19 H10 Cl Cu2 N5 O9 -","- C456 H240 Cl24 Cu48 N120 O216 -","24","0.25","","Cai, He-Qun; Zeng, Guang; You, Zi-Xin; Wang, Chen; Sun, Li-Xian; Bai, Feng-Ying; Xing, Yong-Heng","Cu(ii) and Zn(ii) frameworks constructed by directional tuning of diverse substituted groups on a triazine skeleton and supermassive adsorption behavior for iodine and dyes","Dalton Transactions","2022","","","","","10.1039/D2DT00067A","","","","","","0.1097","0.0982","","","0.2404","0.2505","","","","","","1.001","","","","has coordinates,has disorder","274012","2022-03-25","23:57:25",""
"7709848","15.4741","0.0012","15.505","0.0012","18.4963","0.0015","68.944","0.004","82.918","0.004","75.554","0.004","4007.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H87 N5 O26 Zn4 -","- C80 H87 N5 O26 Zn4 -","- C160 H174 N10 O52 Zn8 -","2","1","","Li, Huijun; Wang, Yanan; Xu, Zhouqing","Reversible mechanochoromic studies on AIE-inspired Smart materials and applications on HCHO sensing","Dalton Transactions","2022","","","","","10.1039/D2DT00264G","","x-ray","1.34139","GaKα","","0.0908","0.0784","","","0.2245","0.2348","","","","","","1.037","","","","has coordinates,has disorder","274013","2022-03-25","23:58:01",""
"7709849","11.792","0.009","14.624","0.012","16.775","0.013","92.589","0.012","103.555","0.009","101.798","0.01","2740","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cd3 I2 N5 O9 -","- C49 H63 Cd3 I2 N5 O9 -","- C98 H126 Cd6 I4 N10 O18 -","2","1","","Roy, Sourav; Dey, Arka; Gomila, Rosa M.; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik","Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices","Dalton Transactions","2022","","","","","10.1039/D2DT00197G","","","0.71073","MoKα","","0.1338","0.0885","","","0.2217","0.2515","","","","","","1.044","","","","has coordinates","274053","2022-03-28","22:50:17",""
"7709850","10.412","0.0013","23.504","0.003","11.4415","0.0013","90","","99.147","0.004","90","","2764.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26.64 Cd N4 O4 S2 -","- C25 H26.638 Cd N4 O4 S2 -","- C100 H106.552 Cd4 N16 O16 S8 -","4","1","","Roy, Sourav; Dey, Arka; Gomila, Rosa M.; Ortega-Castro, Joaquin; Frontera, Antonio; Ray, Partha Pratim; Chattopadhyay, Shouvik","Insight into charge transportation in cadmium based semiconducting organic–inorganic hybrid materials and their application in the fabrication of photosensitive Schottky devices","Dalton Transactions","2022","","","","","10.1039/D2DT00197G","","","0.71073","MoKα","","0.1313","0.0762","","","0.1188","0.1359","","","","","","1.107","","","","has coordinates,has disorder","274053","2022-03-28","22:50:18",""
"7709851","10.9662","0.0003","11.9668","0.0004","18.1565","0.0006","104.1","0.001","91.271","0.001","97.877","0.001","2285.26","0.12","291","","291","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H35 Cd2 N7 O9 S2 -","- C53 H35 Cd2 N7 O9 S2 -","- C106 H70 Cd4 N14 O18 S4 -","2","1","","Li, Jing; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Li, Jin-Yan; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Turn-on and blue-shift fluorescence sensor toward l-histidine based on stable CdII metal–organic framework with tetranuclear cluster units","Dalton Transactions","2022","","","","","10.1039/D2DT00390B","","","0.71073","MoKα","","0.0502","0.0307","","","0.0579","0.0646","","","","","","1.032","","","","has coordinates","274090","2022-03-29","22:45:53",""
"7709852","10.1357","0.0005","17.5973","0.0008","21.6427","0.0011","68.911","0.003","80.097","0.004","74.415","0.003","3457","0.3","135","","135","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H28 Cl3 Co Fe Ni O2.5 P2 -","- C36 H28 Cl3 Co Fe Ni O2.5 P2 -","- C144 H112 Cl12 Co4 Fe4 Ni4 O10 P8 -","4","2","","Auweiler, Daniel; Schnierle, Marc; Rapp, Valentin; Ringenberg, Mark R.","Metal-Metal Communication Between 1,1’ Bis(diphenylphosphino)cobaltocenium and an Organonickel Moiety","Dalton Transactions","2022","","","","","10.1039/D2DT00650B","","","1.54178","CuKα","","0.1008","0.0509","","","0.0978","0.1164","","","","","","1.022","","","","has coordinates","274141","2022-03-30","23:02:52",""
"7709853","19.107","0.002","10.7707","0.0012","18.508","0.002","90","","96.858","0.005","90","","3781.6","0.7","139.99","","139.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B0.42 Co F11.16 Ni P3.58 -","- C39 H33 B0.418 Co F11.164 Ni P3.582 -","- C156 H132 B1.672 Co4 F44.656 Ni4 P14.328 -","4","1","","Auweiler, Daniel; Schnierle, Marc; Rapp, Valentin; Ringenberg, Mark R.","Metal-Metal Communication Between 1,1’ Bis(diphenylphosphino)cobaltocenium and an Organonickel Moiety","Dalton Transactions","2022","","","","","10.1039/D2DT00650B","","","0.71073","MoKα","","0.1822","0.1324","","","0.3256","0.3628","","","","","","1.047","","","","has coordinates,has disorder","274141","2022-03-30","23:02:53",""
"7709854","17.054","0.0014","10.2096","0.0008","20.0648","0.0016","90","","92.827","0.004","90","","3489.3","0.5","140","","139.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 B2 Co F8 Ni P2 -","- C39 H33 B2 Co F8 Ni P2 -","- C156 H132 B8 Co4 F32 Ni4 P8 -","4","1","","Auweiler, Daniel; Schnierle, Marc; Rapp, Valentin; Ringenberg, Mark R.","Metal-Metal Communication Between 1,1’ Bis(diphenylphosphino)cobaltocenium and an Organonickel Moiety","Dalton Transactions","2022","","","","","10.1039/D2DT00650B","","","0.71073","MoKα","","0.0447","0.0305","","","0.0652","0.0724","","","","","","1.047","","","","has coordinates,has disorder","274141","2022-03-30","23:02:53",""
"7709855","15.8614","0.0011","12.6538","0.0009","40.759","0.003","90","","93.232","0.004","90","","8167.6","1","140","","140.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Cl2 Co F6 Ni O2 P3 -","- C37 H30 Cl2 Co F6 Ni O2 P3 -","- C296 H240 Cl16 Co8 F48 Ni8 O16 P24 -","8","1","","Auweiler, Daniel; Schnierle, Marc; Rapp, Valentin; Ringenberg, Mark R.","Metal-Metal Communication Between 1,1’ Bis(diphenylphosphino)cobaltocenium and an Organonickel Moiety","Dalton Transactions","2022","","","","","10.1039/D2DT00650B","","","0.71073","MoKα","","0.0622","0.0515","","","0.1055","0.1095","","","","","","1.122","","","","has coordinates","274141","2022-03-30","23:02:53",""
"7709856","16.9493","0.0008","18.3544","0.0008","47.091","0.002","90","","90","","90","","14649.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H49 F6 P3 Pt -","- C36 H49 F6 P3 Pt -","- C576 H784 F96 P48 Pt16 -","16","2","","Alcaide, María M.; Sánchez, Práxedes; Álvarez, Eleuterio; Maya, Celia; López-Serrano, Joaquín; Peloso, Riccardo","Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)","Dalton Transactions","2022","","","","","10.1039/D2DT00811D","","","0.71073","MoKα","","0.0691","0.0435","","","0.0977","0.11","","","","","","1.007","","","","has coordinates","274142","2022-03-30","23:07:05",""
"7709857","11.839","0.0012","11.7018","0.001","24.993","0.002","90","","93.286","0.005","90","","3456.8","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H53 B F4 P2 Pt -","- C34 H53 B F4 P2 Pt -","- C136 H212 B4 F16 P8 Pt4 -","4","1","","Alcaide, María M.; Sánchez, Práxedes; Álvarez, Eleuterio; Maya, Celia; López-Serrano, Joaquín; Peloso, Riccardo","Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)","Dalton Transactions","2022","","","","","10.1039/D2DT00811D","","","0.71073","MoKα","","0.0368","0.0286","","","0.0747","0.0784","","","","","","1.017","","","","has coordinates","274142","2022-03-30","23:07:06",""
"7709858","11.649","0.0013","12.4817","0.0013","14.4148","0.0015","80.709","0.005","86.185","0.005","68.498","0.004","1924.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H55 B Cl2 F4 P2 Pt -","- C35 H55 B Cl2 F4 P2 Pt -","- C70 H110 B2 Cl4 F8 P4 Pt2 -","2","1","","Alcaide, María M.; Sánchez, Práxedes; Álvarez, Eleuterio; Maya, Celia; López-Serrano, Joaquín; Peloso, Riccardo","Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)","Dalton Transactions","2022","","","","","10.1039/D2DT00811D","","","0.71073","MoKα","","0.0225","0.0202","","","0.051","0.0518","","","","","","1.039","","","","has coordinates","274142","2022-03-30","23:07:08",""
"7709859","29.1737","0.00017","11.66423","0.00005","29.95363","0.00018","90","","115.64","0.0007","90","","9189.17","0.1","295.72","0.11","295.72","0.11","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C88 H80 Cu4 N16 O8 P4 S4 -","- C88 H80 Cu4 N16 O8 P4 S4 -","- C352 H320 Cu16 N64 O32 P16 S16 -","4","1","","You, Xin; Hong, Zhao-Guo; Shi, Sheng-Mei; Bian, He-Dong; Zhang, Yun-Liang; Zhang, Liang-Liang; Huang, Fu-Ping; Zhao, Shu-Lin; Liang, Hong","Rational construction of a triphenylphosphine-modified tetra-nuclear Cu(i) coordinated cluster for enhanced chemodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT00063F","","x-ray","1.54184","CuKα","","0.0405","0.0345","","","0.0929","0.0965","","","","","","1.056","","","","has coordinates,has disorder","274143","2022-03-30","23:08:14",""
"7709860","46.0372","0.0003","46.0372","0.0003","11.6515","0.00007","90","","90","","120","","21386","0.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C43 H44 Cu N7 O4 P2 S4 -","- C43 H44 Cu N7 O4 P2 S4 -","- C774 H792 Cu18 N126 O72 P36 S72 -","18","1","","You, Xin; Hong, Zhao-Guo; Shi, Sheng-Mei; Bian, He-Dong; Zhang, Yun-Liang; Zhang, Liang-Liang; Huang, Fu-Ping; Zhao, Shu-Lin; Liang, Hong","Rational construction of a triphenylphosphine-modified tetra-nuclear Cu(i) coordinated cluster for enhanced chemodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT00063F","","x-ray","1.54184","CuKα","","0.0408","0.0391","","","0.105","0.1062","","","","","","1.036","","","","has coordinates","274143","2022-03-30","23:08:17",""
"7709861","20.8015","0.0005","20.8015","0.0005","9.7315","0.0002","90","","90","","90","","4210.84","0.17","150","","150","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C24 H48 B4 N12 Ni O16 S -","- C24 H48 B4 N12 Ni O16 S -","- C96 H192 B16 N48 Ni4 O64 S4 -","4","0.5","","Xin, Shu-Sheng; Deng, Yan-Ling; Pan, Chun-Yang","The crystal structure and oxygen reduction reaction of Ni(ii)-complex templated borate-sulfate and borate","Dalton Transactions","2022","","","","","10.1039/D2DT00213B","","","0.71073","MoKα","","0.052","0.037","","","0.0969","0.1093","","","","","","1.028","","","","has coordinates,has disorder","274144","2022-03-30","23:09:14",""
"7709862","17.8428","0.0003","11.2042","0.0002","33.9565","0.0007","90","","104.046","0.001","90","","6585.4","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 B10 N6 Ni O23 -","- C12 H32 B10 N6 Ni O23 -","- C96 H256 B80 N48 Ni8 O184 -","8","2","","Xin, Shu-Sheng; Deng, Yan-Ling; Pan, Chun-Yang","The crystal structure and oxygen reduction reaction of Ni(ii)-complex templated borate-sulfate and borate","Dalton Transactions","2022","","","","","10.1039/D2DT00213B","","","0.71073","MoKα","","0.0542","0.0389","","","0.1001","0.1106","","","","","","1.023","","","","has coordinates","274144","2022-03-30","23:09:15",""
"7709863","9.3437","0.0003","15.1083","0.0006","28.2743","0.0009","89.093","0.001","85.629","0.001","84.979","0.002","3964.4","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H53 B12 N4 Ni2 O35 -","- C8 H53 B12 N4 Ni2 O35 -","- C32 H212 B48 N16 Ni8 O140 -","4","2","","Xin, Shu-Sheng; Deng, Yan-Ling; Pan, Chun-Yang","The crystal structure and oxygen reduction reaction of Ni(ii)-complex templated borate-sulfate and borate","Dalton Transactions","2022","","","","","10.1039/D2DT00213B","","","0.71073","MoKα","","0.0866","0.0751","","","0.1752","0.183","","","","","","1.167","","","","has coordinates","274144","2022-03-30","23:09:15",""
"7709864","10.275","0.002","12.274","0.003","14.766","0.003","68.1","0.03","73.46","0.03","88.06","0.03","1650.9","0.8","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H67 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","1","1","","Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang","Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry","Dalton Transactions","2022","","","","","10.1039/D1DT03371A","","","0.7","synchrotron","","0.0995","0.0632","","","0.1625","0.1829","","","","","","0.92","","","","has coordinates","274145","2022-03-30","23:09:52",""
"7709865","10.284","0.002","12.348","0.003","14.787","0.003","67.17","0.03","72.2","0.03","87.2","0.03","1642.6","0.8","223","2","223","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H67 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","- C66 H66 Ag F6 N6 O15.5 P -","1","1","","Kim, Dongwon; Seo, Kyeong-Deok; Shim, Yoon-Bo; Lee, Kyungsuh; Lee, Sang Hak; Lee, Young-A.; Jung, Ok-Sang","Pair of chiral 2D silver(i) enantiomers: chiral recognition of l- and d-histidine via differential pulse voltammetry","Dalton Transactions","2022","","","","","10.1039/D1DT03371A","","","0.78","synchrotron","","0.1911","0.087","","","0.2246","0.2885","","","","","","0.966","","","","has coordinates,has disorder","274145","2022-03-30","23:09:53",""
"7709866","5.1723","0.0008","10.8211","0.0012","11.3985","0.0009","72.59","0.009","86.231","0.009","88.879","0.01","607.43","0.13","100.04","0.11","100.04","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 F24 O6 Zn -","- C16 H6 F24 O6 Zn -","- C16 H6 F24 O6 Zn -","1","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","","1.54184","CuKα","","0.0683","0.0657","","","0.1747","0.1814","","","","","","1.08","","","","has coordinates","274146","2022-03-30","23:12:26",""
"7709867","15.3039","0.0013","6.8633","0.0005","17.4316","0.0015","90","","103.831","0.008","90","","1777.8","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 B2 Fe N4 O4 -","- C38 H56 B2 Fe N4 O4 -","- C76 H112 B4 Fe2 N8 O8 -","2","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0884","0.0751","","","0.1984","0.206","","","","","","1.072","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709868","11.6596","0.0002","7.81","0.0002","22.5086","0.0004","90","","101.017","0.002","90","","2011.89","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 Fe N4 -","- C46 H60 B2 Fe N4 -","- C92 H120 B4 Fe2 N8 -","2","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0534","0.0522","","","0.1388","0.1404","","","","","","1.035","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709869","10.4224","0.0007","17.0289","0.0011","12.3767","0.0009","90","","108.601","0.008","90","","2081.9","0.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 B2 Fe N4 O2 -","- C38 H56 B2 Fe N4 O2 -","- C76 H112 B4 Fe2 N8 O4 -","2","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0793","0.055","","","0.1261","0.1345","","","","","","0.951","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709870","14.5459","0.0003","9.243","0.0002","32.116","0.0007","90","","90","","90","","4317.92","0.16","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H28 B2 F20 Fe N4 -","- C44 H28 B2 F20 Fe N4 -","- C176 H112 B8 F80 Fe4 N16 -","4","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","0.71073","MoKα","","0.0619","0.0436","","","0.092","0.0998","","","","","","1.032","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709871","30.9212","0.0003","10.1146","0.0001","14.4015","0.0002","90","","91.972","0.001","90","","4501.48","0.09","99.9","0.3","99.9","0.3","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H28 B2 F20 Fe N4 O2 -","- C46 H28 B2 F20 Fe N4 O2 -","- C184 H112 B8 F80 Fe4 N16 O8 -","4","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0393","0.039","","","0.1089","0.1094","","","","","","1.051","","","","has coordinates","274146","2022-03-30","23:12:27",""
"7709872","11.7707","0.0001","11.7707","0.0001","38.8441","0.0004","90","","90","","90","","5381.83","0.09","99.9","0.5","99.9","0.5","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C54 H46 B2 F20 Fe N6 -","- C54 H46 B2 F20 Fe N6 -","- C216 H184 B8 F80 Fe4 N24 -","4","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0907","0.0919","","","","","","1.045","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709873","18.2365","0.0009","10.0331","0.0005","27.3093","0.0015","90","","99.229","0.005","90","","4932.1","0.4","100","0.3","100","0.3","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C188 H120 B8 Cl8 F80 Fe4 N16 O12 -","4","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0977","0.0918","","","0.2478","0.2597","","","","","","1.021","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709874","11.1533","0.0005","17.1798","0.0009","26.935","0.002","90","","88.897","0.006","90","","5160.1","0.5","100","0.7","100","0.7","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C47 H30 B2 Cl2 F20 Fe N4 O3 -","- C188 H120 B8 Cl8 F80 Fe4 N16 O12 -","4","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.1662","0.1465","","","0.3512","0.3626","","","","","","1.068","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709875","13.8703","0.0003","13.4644","0.0003","20.3086","0.0004","90","","98.19","0.002","90","","3754.06","0.14","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H30 B4 F40 Fe N4 -","- C68 H30 B4 F40 Fe N4 -","- C136 H60 B8 F80 Fe2 N8 -","2","0.5","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0752","0.0724","","","0.2024","0.2083","","","","","","1.038","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709876","6.8547","0.0006","16.8578","0.0013","18.2501","0.0009","103.457","0.005","91.662","0.005","90.12","0.007","2050","0.3","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H67 B2 Fe N4 -","- C48 H67 B2 Fe N4 -","- C96 H134 B4 Fe2 N8 -","2","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.1047","0.0822","","","0.2153","0.2368","","","","","","1.051","","","","has coordinates,has disorder","274146","2022-03-30","23:12:28",""
"7709877","10.363","0.0003","25.0739","0.0005","10.415","0.0003","90","","115.732","0.004","90","","2437.88","0.14","100","0.4","100","0.4","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C47 H30 B2 Cl2 F20 Fe N4 O4 -","- C47 H30 B2 Cl2 F20 Fe N4 O4 -","- C94 H60 B4 Cl4 F40 Fe2 N8 O8 -","2","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.0448","0.0409","","","0.1083","0.1154","","","","","","1.088","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709878","12.1902","0.0006","15.3611","0.0006","17.1353","0.0005","100.918","0.003","100.128","0.004","103.954","0.004","2973.9","0.2","99.9","0.4","99.9","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C56 H29 B3 F30 Fe N4 -","- C56 H29 B3 F30 Fe N4 -","- C112 H58 B6 F60 Fe2 N8 -","2","1","","Esarte Palomero, Orhi; Jones, Richard A.","Ferrocene Tethered Boramidinate Frustrated Lewis Pairs: Stepwise Capture of CO2 and CO","Dalton Transactions","2022","","","","","10.1039/D2DT00691J","","x-ray","1.54184","CuKα","","0.052","0.0473","","","0.1362","0.1431","","","","","","1.096","","","","has coordinates","274146","2022-03-30","23:12:28",""
"7709879","48.8533","0.0007","9.85217","0.0001","25.1339","0.0003","90","","99.8559","0.0012","90","","11918.7","0.3","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O12 P2 Zn -","- C28 H28 O12 P2 Zn -","- C448 H448 O192 P32 Zn16 -","16","2","","Dębowski, Maciej; Guńka, Piotr Aleksander; Żurawski, Konrad; Zybert, Magdalena; Modzelewska, Beata; Ostrowski, Andrzej; Zachara, Janusz; Florjańczyk, Zbigniew Jan","Influence of substituents in aryl groups on the structure, thermal transitions and electrorheological properties of zinc bis(diarylphosphate) hybrid polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00492E","","x-ray","0.71073","MoKα","","0.0376","0.0316","","","0.08","0.0838","","","","","","1.037","","","","has coordinates,has disorder","274147","2022-03-30","23:14:21",""
"7709880","7.5429","0.0001","12.0207","0.0002","30.3806","0.0005","90","","90","","90","","2754.64","0.07","100","0.2","100","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H16 N4 O16 P2 Zn -","- C24 H16 N4 O16 P2 Zn -","- C96 H64 N16 O64 P8 Zn4 -","4","1","","Dębowski, Maciej; Guńka, Piotr Aleksander; Żurawski, Konrad; Zybert, Magdalena; Modzelewska, Beata; Ostrowski, Andrzej; Zachara, Janusz; Florjańczyk, Zbigniew Jan","Influence of substituents in aryl groups on the structure, thermal transitions and electrorheological properties of zinc bis(diarylphosphate) hybrid polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00492E","","x-ray","0.71073","MoKα","","0.091","0.0901","","","0.2303","0.232","","","","","","1.033","","","","has coordinates","274147","2022-03-30","23:14:22",""
"7709881","8.8426","0.0002","14.6002","0.0003","17.1931","0.0003","112.674","0.0018","95.524","0.0016","102.384","0.0019","1960.67","0.08","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 O16 P2 Zn -","- C36 H36 O16 P2 Zn -","- C72 H72 O32 P4 Zn2 -","2","1","","Dębowski, Maciej; Guńka, Piotr Aleksander; Żurawski, Konrad; Zybert, Magdalena; Modzelewska, Beata; Ostrowski, Andrzej; Zachara, Janusz; Florjańczyk, Zbigniew Jan","Influence of substituents in aryl groups on the structure, thermal transitions and electrorheological properties of zinc bis(diarylphosphate) hybrid polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00492E","","","0.71073","MoKα","","0.0563","0.0381","","","0.0934","0.1049","","","","","","1.033","","","","has coordinates","274147","2022-03-30","23:14:22",""
"7709882","23.555","0.0004","15.35","0.0004","26.259","0.0004","90","","110.733","0.001","90","","8879.6","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C92 H62 B4 F16 Fe2.09 N24 -","- C92 H62 B4 F16 Fe2.085 N24 -","- C368 H248 B16 F64 Fe8.34 N96 -","4","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.71073","Synchrotron","","0.2511","0.0845","","","0.1747","0.2003","","","","","","0.996","","","","has coordinates","274148","2022-03-30","23:16:42",""
"7709883","23.555","0.0004","15.35","0.0004","26.259","0.0004","90","","110.733","0.001","90","","8879.6","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C92 H62 B4 F16 Fe2.09 N24 -","- C92 H62 B4 F16 Fe2.087 N24 -","- C368 H248 B16 F64 Fe8.348 N96 -","4","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.71073","Synchrotron","","0.1984","0.0731","","","0.1718","0.1989","","","","","","1.007","","","","has coordinates","274148","2022-03-30","23:16:44",""
"7709884","23.555","0.0004","15.35","0.0004","26.259","0.0004","90","","110.733","0.001","90","","8879.6","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C92 H62 B4 F16 Fe2.09 N24 -","- C92 H62 B4 F16 Fe2.085 N24 -","- C368 H248 B16 F64 Fe8.34 N96 -","4","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.71073","Synchrotron","","0.2426","0.0827","","","0.1797","0.2092","","","","","","1.021","","","","has coordinates","274148","2022-03-30","23:16:44",""
"7709885","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.92 N28 -","- C100 H74 B4 F16 Fe2.92 N28 -","- C200 H148 B8 F32 Fe5.84 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2363","0.0771","","","0.2","0.2198","","","","","","0.976","","","","has coordinates","274148","2022-03-30","23:16:44",""
"7709886","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.92 N28 -","- C100 H74 B4 F16 Fe2.92 N28 -","- C200 H148 B8 F32 Fe5.84 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2454","0.079","","","0.2015","0.2225","","","","","","0.988","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709887","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.92 N28 -","- C100 H74 B4 F16 Fe2.92 N28 -","- C200 H148 B8 F32 Fe5.84 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2482","0.088","","","0.2215","0.2512","","","","","","0.964","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709888","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.3589","0.0934","","","0.2293","0.294","","","","","","0.939","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709889","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H73 B4 F16 Fe2.92 N28 -","- C100 H73 B4 F16 Fe2.92 N28 -","- C200 H146 B8 F32 Fe5.84 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2358","0.0792","","","0.2047","0.2254","","","","","","0.996","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709890","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.92 N28 -","- C100 H74 B4 F16 Fe2.92 N28 -","- C200 H148 B8 F32 Fe5.84 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2428","0.0921","","","0.2296","0.2621","","","","","","0.962","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709891","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C103 H75 B4 F16 Fe2.92 N25 -","- C103 H75 B4 F16 Fe2.92 N25 -","- C206 H150 B8 F32 Fe5.84 N50 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2751","0.096","","","0.2303","0.2607","","","","","","0.957","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709892","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C103 H75 B4 F16 Fe3 N25 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.332","0.1002","","","0.2383","0.3037","","","","","","0.948","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709893","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.4086","0.0929","","","0.2309","0.2976","","","","","","0.943","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709894","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.3165","0.0959","","","0.2282","0.2919","","","","","","0.947","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709895","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.3276","0.0938","","","0.2286","0.2912","","","","","","0.955","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709896","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2732","0.0883","","","0.2143","0.2481","","","","","","0.95","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709897","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.3918","0.0922","","","0.2315","0.2979","","","","","","0.942","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709898","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C100 H74 B4 F16 Fe2.9 N28 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.3613","0.0937","","","0.2309","0.2953","","","","","","0.949","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709899","14.0546","0.0004","14.5151","0.0004","24.3279","0.0006","91.319","0.002","96.17","0.002","107.594","0.002","4695.4","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","[Fe3(3,5-Bis{6(2,2'-dipyridyl)}H-pyrazole)2(3,5-Bis{6(2,2'-dipyridyl)}pyrazole)2](BF4)4(C2NH3)","","- C103 H75 B4 F16 Fe3 N25 -","- C100 H74 B4 F16 Fe2.9 N28 -","- C200 H148 B8 F32 Fe5.8 N56 -","2","1","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Metal-to-metal communication during the spin state transition of a [2 × 2] Fe(ii) metallogrid at equilibrium and out-of-equilibrium conditions","Dalton Transactions","2022","","","","","10.1039/D1DT04255F","","","0.83","Synchrotron","","0.2682","0.0874","","","0.2108","0.2439","","","","","","0.95","","","","has coordinates","274148","2022-03-30","23:16:45",""
"7709900","18.0177","0.0003","19.4122","0.0002","37.8914","0.0007","90","","90","","90","","13253","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H63 Cl4 N3 Pt -","- C75 H63 Cl4 N3 Pt -","- C600 H504 Cl32 N24 Pt8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0886","0.0539","","","0.1243","0.1382","","","","","","1.072","","","","has coordinates,has disorder","274183","2022-03-31","22:57:54",""
"7709901","31.8125","0.0004","31.8125","0.0004","17.7813","0.0003","90","","90","","120","","15584.4","0.4","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","","BM176","","- C31.5 H60 Cl2 N2 Pt S -","- C29 H54 Cl2 N2 Pt S -","- C522 H972 Cl36 N36 Pt18 S18 -","18","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0533","0.0467","","","0.0932","0.0964","","","","","","1.055","","","","has coordinates","274183","2022-03-31","22:57:55",""
"7709902","20.1717","0.0003","14.7355","0.0002","21.1479","0.0003","90","","90","","90","","6286","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","BM396","","- C31 H44 Cl2 N2 Pt S -","- C31 H44 Cl2 N2 Pt S -","- C248 H352 Cl16 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.046","0.0287","","","0.0424","0.0472","","","","","","1.054","","","","has coordinates","274183","2022-03-31","22:57:55",""
"7709903","18.8483","0.0003","19.1553","0.0003","37.0561","0.0005","90","","90","","90","","13378.9","0.3","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C81 H86 Cl2 N2 O2 Pt S -","- C71 H62 Cl2 N2 O2 Pt S -","- C568 H496 Cl16 N16 O16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0783","0.0503","","","0.0973","0.1093","","","","","","1.024","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709904","24.1264","0.0004","26.347","0.0003","24.1852","0.0004","90","","90.33","0.001","90","","15373.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","BM393","","- C37 H58 Cl2 N2 Pt S -","- C37 H58 Cl2 N2 Pt S -","- C592 H928 Cl32 N32 Pt16 S16 -","16","2","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0429","0.0348","","","0.0651","0.0699","","","","","","1.057","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709905","9.948","0.0001","17.518","0.0001","17.8162","0.0001","90","","90","","90","","3104.81","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","BM177","","- C29 H40 Cl4 N2 Pt S -","- C29 H40 Cl4 N2 Pt S -","- C116 H160 Cl16 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0187","0.0171","","","0.0352","0.0358","","","","","","1.047","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709906","15.9622","0.0003","22.0497","0.0003","21.8292","0.0004","90","","108.583","0.002","90","","7282.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","BM303","","- C95 H78 Cl2 N2 Pt S -","- C95 H78 Cl2 N2 Pt S -","- C380 H312 Cl8 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0626","0.0336","","","0.0617","0.072","","","","","","1.008","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709907","18.2626","0.0002","19.2984","0.0003","22.0694","0.0003","75.877","0.001","83.671","0.001","67.87","0.001","6985.88","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BM205","","- C164 H170 Cl6 N4 Pt2 S2 -","- C164 H170 Cl6 N4 Pt2 S2 -","- C328 H340 Cl12 N8 Pt4 S4 -","2","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","","0.71073","MoKα","","0.0564","0.0405","","","0.0832","0.0904","","","","","","1.041","","","","has coordinates,has disorder","274183","2022-03-31","22:57:56",""
"7709908","8.2127","0.0002","19.9564","0.0005","23.1694","0.0006","90","","90","","90","","3797.37","0.17","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 Cl3 Cu3 N6 O2 -","- C38 H38 Cl3 Cu3 N6 O2 -","- C152 H152 Cl12 Cu12 N24 O8 -","4","1","","Charette, Bronte J.; Griffin, Paul J.; Zimmerman, Claire M.; Olshansky, Lisa","Conformationally dynamic copper coordination complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00312K","","","0.71073","MoKα","","0.0356","0.0295","","","0.057","0.0596","","","","","","1.054","","","","has coordinates","274184","2022-03-31","22:59:26",""
"7709909","10.4034","0.0006","11.1847","0.0007","13.3875","0.0007","72.92","0.002","69.922","0.002","78.631","0.002","1390.49","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","[CuClDPA]PF6","","- C21 H23 Cl5 Cu F6 N3 O P -","- C21 H23 Cl5 Cu F6 N3 O P -","- C42 H46 Cl10 Cu2 F12 N6 O2 P2 -","2","1","","Charette, Bronte J.; Griffin, Paul J.; Zimmerman, Claire M.; Olshansky, Lisa","Conformationally dynamic copper coordination complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00312K","","","0.71073","MoKα","","0.0547","0.0472","","","0.1249","0.1336","","","","","","1.055","","","","has coordinates","274184","2022-03-31","22:59:26",""
"7709910","10.6208","0.0006","11.9586","0.0006","14.0651","0.0008","100.242","0.002","109.429","0.002","90.071","0.002","1654.32","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H54 O9 Si3 -","- C24 H54 O9 Si3 -","- C48 H108 O18 Si6 -","2","1","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","1.54178","CuKα","","0.0336","0.0314","","","0.0873","0.0892","","","","","","1.068","","","","has coordinates","274215","2022-04-01","22:51:48",""
"7709911","13.4625","0.0005","23.752","0.0009","31.8025","0.0012","90","","99.8591","0.0008","90","","10019","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 Na2 O26 Si6 Ti2 -","- C72 H162 Na2 O26 Si6 Ti2 -","- C288 H648 Na8 O104 Si24 Ti8 -","4","0.5","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0322","0.0293","","","0.0748","0.0767","","","","","","1.064","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709912","13.9466","0.0004","22.9279","0.0006","16.8771","0.0004","90","","108.689","0.0005","90","","5112.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 O26 Si6 Ti2 -","- C72 H162 K2 O26 Si6 Ti2 -","- C144 H324 K4 O52 Si12 Ti4 -","2","0.5","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0447","0.0376","","","0.0971","0.1018","","","","","","1.037","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709913","22.2645","0.001","21.7564","0.001","22.6575","0.001","90","","90","","90","","10975.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H90 O13 Si3 Ti -","- C40 H90 O13 Si3 Ti -","- C320 H720 O104 Si24 Ti8 -","8","1","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0351","0.028","","","0.0726","0.0779","","","","","","1.032","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709914","13.8809","0.0005","23.1419","0.0008","16.9695","0.0006","90","","107.983","0.0008","90","","5184.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 O26 Rb2 Si6 Ti2 -","- C72 H162 O26 Rb2 Si6 Ti2 -","- C144 H324 O52 Rb4 Si12 Ti4 -","2","0.5","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0433","0.0321","","","0.083","0.0886","","","","","","1.039","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709915","13.5666","0.0005","13.5671","0.0005","31.5352","0.0012","91.934","0.002","100.448","0.0019","116.748","0.0017","5053.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H162 Li2 O26 Si6 Ti2 -","- C72 H162 Li2 O26 Si6 Ti2 -","- C144 H324 Li4 O52 Si12 Ti4 -","2","1","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","1.54178","CuKα","","0.058","0.0524","","","0.1314","0.1353","","","","","","1.023","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709916","13.5226","0.0008","21.9475","0.0013","19.2826","0.0012","90","","105.466","0.0011","90","","5515.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H91 N O12 Si3 Ti -","- C40 H91 N O12 Si3 Ti -","- C160 H364 N4 O48 Si12 Ti4 -","4","1","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0389","0.032","","","0.0834","0.0884","","","","","","1.03","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709917","35.3441","0.0014","17.2885","0.0008","26.071","0.0014","90","","101.195","0.0006","90","","15627.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 Cs2 O26 Si6 Ti2 -","- C72 H162 Cs2 O26 Si6 Ti2 -","- C432 H972 Cs12 O156 Si36 Ti12 -","6","1.5","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0365","0.0321","","","0.0706","0.0728","","","","","","1.141","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709918","8.1929","0.0006","9.3335","0.0006","18.8176","0.0009","79.704","0.005","84.877","0.005","74.638","0.006","1363.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl2 N P Pd -","- C29 H24 Cl2 N P Pd -","- C58 H48 Cl4 N2 P2 Pd2 -","2","1","","Oswal, Preeti; Sood, Kritika; Singh, Siddhant; Arora, Aayushi; Bahuguna, Anurag; Purohit, Suraj; Kumar, Arun","Single source precursor route for the first graphene oxide-Pd6P nanocomposite: Application in Electrochemical Hydrogen Evolution reaction","Dalton Transactions","2022","","","","","10.1039/D2DT00347C","","","0.71073","MoKα","","0.0872","0.0759","","","0.2292","0.2435","","","","","","0.994","","","","has coordinates","274216","2022-04-01","22:52:53",""
"7709919","10.4801","0.0003","17.4762","0.0005","7.0392","0.0003","90","","90","","90","","1289.25","0.08","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C7 H7 Cd2 O11 P2 -","- C7 H11 Cd2 O11 P2 -","- C28 H44 Cd8 O44 P8 -","4","0.5","","wu, guomei; Zhang, Ming-Yue; Wang, Feng-Dong; Zhang, Chenxi; Wang, Qing-Lun","A dual-function Cd-MOF with high proton conduction and excellent fluorescence detection of pyridine","Dalton Transactions","2022","","","","","10.1039/D2DT00193D","","","0.71073","MoKα","","0.0525","0.0518","","","0.1705","0.1709","","","","","","1.105","","","","has coordinates,has disorder","274217","2022-04-01","22:55:39",""
"7709920","16.9097","0.0004","25.6255","0.0005","10.9443","0.0003","90","","98.04","0.002","90","","4695.76","0.19","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H74.34 Nd O10.17 P3 S6 -","- C24 H74.34 Nd O10.17 P3 S6 -","- C96 H297.36 Nd4 O40.68 P12 S24 -","4","1","","Guo, Qiling; Fang, Tuo; Liu, Qian; Zhu, Liyang; Yang, Suliang; Tian, Guoxin","Identification of Complexes of Nd(III) with Dithiophosphinic Acids Verifying Difference in Complexation between Ln(III) and An(III)","Dalton Transactions","2022","","","","","10.1039/D2DT00625A","","","0.71073","MoKα","","0.048","0.0371","","","0.0912","0.0974","","","","","","1.032","","","","has coordinates,has disorder","274222","2022-04-02","22:49:32",""
"7709921","22.4405","0.001","15.8568","0.0007","25.4452","0.0016","90","","114.536","0.002","90","","8236.7","0.7","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H138 Dy K N16 O P4 -","- C60 H138 Dy K N16 O P4 -","- C240 H552 Dy4 K4 N64 O4 P16 -","4","0.5","","Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms","Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00758D","","","0.71073","MoKα","","0.0437","0.0401","","","0.0998","0.1015","","","","","","1.095","","","","has coordinates,has disorder","274223","2022-04-02","22:51:06",""
"7709922","13.0693","0.0016","13.9895","0.0017","23.626","0.003","75.191","0.004","81.487","0.004","65.497","0.004","3795.7","0.8","108.93","","108.93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H128 K N16 P4 Pr -","- C56 H128 K N16 P4 Pr -","- C112 H256 K2 N32 P8 Pr2 -","2","1","","Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms","Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00758D","","","0.71073","MoKα","","0.0658","0.0555","","","0.1224","0.1271","","","","","","1.059","","","","has coordinates,has disorder","274223","2022-04-02","22:51:17",""
"7709923","13.798","0.003","13.807","0.003","24.382","0.004","96.467","0.007","104.784","0.007","110.524","0.007","4100","1.5","100","1","100","1","","","","","","","","7","P 1","P 1","1","","","","- C64 H148 K N16 Nd O2 P4 -","- C64 H148 K N16 Nd O2 P4 -","- C128 H296 K2 N32 Nd2 O4 P8 -","2","2","","Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms","Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00758D","","","0.71073","MoKα","","0.0383","0.0363","","","0.0786","0.0801","","","","","","1.045","","","","has coordinates","274223","2022-04-02","22:51:19",""
"7709924","7.1296","0.0004","21.1133","0.0015","13.1118","0.0009","90","","91.917","0.006","90","","1972.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 Cl5 Dy N4 -","- C14 H12 Cl5 Dy N4 -","- C56 H48 Cl20 Dy4 N16 -","4","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","","0.71073","MoKα","","0.0415","0.0376","","","0.0783","0.0822","","","","","","1.042","","","","has coordinates","274363","2022-04-05","23:08:25",""
"7709925","12.0086","0.0005","16.5773","0.0007","20.2262","0.001","90","","95.797","0.004","90","","4005.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Cl8 Dy N7 O9 -","- C32 H18 Cl8 Dy N7 O9 -","- C128 H72 Cl32 Dy4 N28 O36 -","4","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","x-ray","1.54184","CuKα","","0.1127","0.0905","","","0.1821","0.1925","","","","","","1.155","","","","has coordinates,has disorder","274363","2022-04-05","23:08:25",""
"7709926","11.2759","0.0007","13.1435","0.0009","15.0492","0.0009","85.319","0.005","68.224","0.006","73.146","0.006","1981.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H19.5 Cl8 Dy N7.5 O9 -","- C33 H19.5 Cl8 Dy N7.5 O9 -","- C66 H39 Cl16 Dy2 N15 O18 -","2","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","","0.71073","MoKα","","0.0621","0.0475","","","0.0842","0.0915","","","","","","1.079","","","","has coordinates,has disorder","274363","2022-04-05","23:08:25",""
"7709927","12.212","0.014","17.002","0.019","20.87","0.03","90","","95.14","0.04","90","","4316","9","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Cl8 Dy N7 O9 -","- C32 H18 Cl8 Dy N7 O9 -","- C128 H72 Cl32 Dy4 N28 O36 -","4","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","","0.71073","MoKα","","0.0963","0.0602","","","0.1097","0.1262","","","","","","1.191","","","","has coordinates,has disorder","274363","2022-04-05","23:08:26",""
"7709928","11.511","0.002","13.22","0.003","15.127","0.003","81.914","0.007","68.257","0.006","72.685","0.006","2040.1","0.7","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H19.5 Cl8 Dy N7.5 O9 -","- C33 H19.5 Cl8 Dy N7.5 O9 -","- C66 H39 Cl16 Dy2 N15 O18 -","2","1","","Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu","Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation","Dalton Transactions","2022","","","","","10.1039/D2DT00501H","","","0.71073","MoKα","","0.0298","0.0256","","","0.0594","0.0619","","","","","","1.067","","","","has coordinates,has disorder","274363","2022-04-05","23:08:26",""
"7709929","6.5931","0.0002","8.5797","0.0002","15.3443","0.0004","104.201","0.002","98.461","0.002","95.747","0.002","823.85","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl Fe O4 -","- C19 H11 Cl Fe O4 -","- C38 H22 Cl2 Fe2 O8 -","2","1","","González-López, Vianney; Resendiz-Lara, Diego; Rosas-Sánchez, Alfredo; Ledesma-Olvera, Lydia G.; Daran, Jean-Claude; Barquera-Lozada, Jose Enrique; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen","Iodine-promoted insertion of the oxygen atom from water in η4-vinylketene[Fe(CO)3] complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00674J","","x-ray","0.71073","MoKα","","0.0349","0.0325","","","0.0894","0.092","","","","","","1.086","","","","has coordinates","274364","2022-04-05","23:09:11",""
"7709930","9.0467","0.0003","16.3769","0.0005","11.6631","0.0004","90","","102.644","0.003","90","","1686.06","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Fe O3 -","- C21 H18 Fe O3 -","- C84 H72 Fe4 O12 -","4","1","","González-López, Vianney; Resendiz-Lara, Diego; Rosas-Sánchez, Alfredo; Ledesma-Olvera, Lydia G.; Daran, Jean-Claude; Barquera-Lozada, Jose Enrique; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen","Iodine-promoted insertion of the oxygen atom from water in η4-vinylketene[Fe(CO)3] complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00674J","","x-ray","0.71073","MoKα","","0.0344","0.0266","","","0.0592","0.0628","","","","","","1.046","","","","has coordinates","274364","2022-04-05","23:09:12",""
"7709931","7.0212","0.0002","7.0212","0.0002","41.555","0.002","90","","90","","120","","1774.09","0.11","293","1","293","1","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C4 Fe N6 Sr6 -","- C4 Fe0.999 N6 Sr6 -","- C24 Fe5.994 N36 Sr36 -","6","0.333333","","Jach, Franziska; Block, Theresa; Prots, Yurii; Schmidt, Marcus; Bobnar, Matej; Pöttgen, Rainer; Ruck, Michael; Hoehn, Peter","Non-Innocent Cyanido Ligands: Tetracyanidoferrate(–II) as Carbonyl Copycat","Dalton Transactions","2022","","","","","10.1039/D2DT00833E","","x-ray","0.71073","MoKα","","0.0536","0.0427","","","0.0659","0.0669","","","","2.67","2.67","2.46","","","","has coordinates","288246","2023-12-12","10:54:35",""
"7709932","15.2583","0.0005","10.8243","0.0003","23.9765","0.0007","90","","100.328","0.002","90","","3895.8","0.2","125","2","125","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H43 I2 N7 O5 Zn2 -","- C33 H43 I2 N7 O5 Zn2 -","- C132 H172 I8 N28 O20 Zn8 -","4","0.5","","Biswas, Sneha; CHOWDHURY, TANIA; Ghosh, Avik; Das, Abhijit K.; Das, Debasis","Effect of O-substitution in imidazole based Zn(II) dual fluorescent probes in the light of arsenate detection in potable water: A combined experimental and theoretical approach","Dalton Transactions","2022","","","","","10.1039/D2DT00357K","","","0.71073","MoKα","","0.0427","0.0301","","","0.0624","0.0703","","","","","","1.096","","","","has coordinates,has disorder","274407","2022-04-06","22:53:36",""
"7709933","15.3913","0.001","10.536","0.0007","23.7205","0.0016","90","","98.667","0.004","90","","3802.7","0.4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H39 I2 N7 O5 Zn2 -","- C31 H39 I2 N7 O5 Zn2 -","- C124 H156 I8 N28 O20 Zn8 -","4","0.5","","Biswas, Sneha; CHOWDHURY, TANIA; Ghosh, Avik; Das, Abhijit K.; Das, Debasis","Effect of O-substitution in imidazole based Zn(II) dual fluorescent probes in the light of arsenate detection in potable water: A combined experimental and theoretical approach","Dalton Transactions","2022","","","","","10.1039/D2DT00357K","","","0.71073","MoKα","","0.2099","0.071","","","0.1146","0.1546","","","","","","0.982","","","","has coordinates,has disorder","274407","2022-04-06","22:53:37",""
"7709934","11.4156","0.0005","13.2468","0.0005","14.4323","0.0008","68.939","0.004","68.074","0.005","81.267","0.003","1888.95","0.17","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N4 O4 U -","- C40 H50 N4 O4 U -","- C80 H100 N8 O8 U2 -","2","1","","Takeyama, Tomoyuki; Iwatsuki, Satoshi; Tsushima, Satoru; Takao, Koichiro","Synthesis and characterization of uranyl(VI) complex with 2,6-pyridine-bis(methylaminophenolato) and its ligand-centred aerobic oxidation mechanism to diimino derivative","Dalton Transactions","2022","","","","","10.1039/D2DT00325B","","x-ray","0.71073","MoKα","","0.1165","0.0722","","","0.1622","0.1817","","","","","","1.015","","","","has coordinates","274408","2022-04-06","22:54:18",""
"7709935","13.9394","0.0007","13.7474","0.0011","21.7612","0.0011","90","","91.234","0.004","90","","4169.1","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 Cl2 N3 O4 U -","- C36 H51 Cl2 N3 O4 U -","- C144 H204 Cl8 N12 O16 U4 -","4","1","","Takeyama, Tomoyuki; Iwatsuki, Satoshi; Tsushima, Satoru; Takao, Koichiro","Synthesis and characterization of uranyl(VI) complex with 2,6-pyridine-bis(methylaminophenolato) and its ligand-centred aerobic oxidation mechanism to diimino derivative","Dalton Transactions","2022","","","","","10.1039/D2DT00325B","","x-ray","1.54184","CuKα","","0.1934","0.1061","","","0.2765","0.3447","","","","","","1.016","","","","has coordinates","274408","2022-04-06","22:54:19",""
"7709936","9.793","0.0004","9.8098","0.0004","28.7992","0.0012","90","","95.8","0.004","90","","2752.5","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N6 P -","- C34 H25 N6 P -","- C136 H100 N24 P4 -","4","1","","Namdeo, Pavan; sheokand, Sonu; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Kunchur, Harish S.; Saini, Prateek; Ramakrishnan, Srinivasan; Balakrishna, Maravanji Shivaramaiah","RuII complexes of 1,2,3-triazoles appended tertiary phosphines, [P(Ph){(o-C6H4)(1,2,3-N3C(Ph)CH}2] and [P(Ph){o-C6H4(CCH)- (1,2,3-N3-Ph)}2]: Highly active catalysts for transfer hydrogenation of carbonyl/nitro compounds and for α–alkylation of ketones","Dalton Transactions","2022","","","","","10.1039/D2DT00361A","","x-ray","0.71073","MoKα","","0.0655","0.0452","","","0.0979","0.1094","","","","","","1.045","","","","has coordinates","274409","2022-04-06","22:55:51",""
"7709937","10.275","0.0004","11.2538","0.0004","13.5669","0.0004","67.759","0.003","72.5","0.003","86.226","0.003","1382.81","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 N6 P -","- C34 H25 N6 P -","- C68 H50 N12 P2 -","2","1","","Namdeo, Pavan; sheokand, Sonu; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Kunchur, Harish S.; Saini, Prateek; Ramakrishnan, Srinivasan; Balakrishna, Maravanji Shivaramaiah","RuII complexes of 1,2,3-triazoles appended tertiary phosphines, [P(Ph){(o-C6H4)(1,2,3-N3C(Ph)CH}2] and [P(Ph){o-C6H4(CCH)- (1,2,3-N3-Ph)}2]: Highly active catalysts for transfer hydrogenation of carbonyl/nitro compounds and for α–alkylation of ketones","Dalton Transactions","2022","","","","","10.1039/D2DT00361A","","x-ray","0.71073","MoKα","","0.052","0.0423","","","0.101","0.11","","","","","","1.026","","","","has coordinates","274409","2022-04-06","22:55:52",""
"7709938","11.39402","0.00017","14.92031","0.0002","31.2242","0.0004","90","","94.5002","0.0014","90","","5291.82","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl2 N6 O2 P2 Ru -","- C52 H44 Cl2 N6 O2 P2 Ru -","- C208 H176 Cl8 N24 O8 P8 Ru4 -","4","1","","Namdeo, Pavan; sheokand, Sonu; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Kunchur, Harish S.; Saini, Prateek; Ramakrishnan, Srinivasan; Balakrishna, Maravanji Shivaramaiah","RuII complexes of 1,2,3-triazoles appended tertiary phosphines, [P(Ph){(o-C6H4)(1,2,3-N3C(Ph)CH}2] and [P(Ph){o-C6H4(CCH)- (1,2,3-N3-Ph)}2]: Highly active catalysts for transfer hydrogenation of carbonyl/nitro compounds and for α–alkylation of ketones","Dalton Transactions","2022","","","","","10.1039/D2DT00361A","","","0.71073","MoKα","","0.0575","0.0505","","","0.1247","0.1291","","","","","","1.087","","","","has coordinates,has disorder","274409","2022-04-06","22:55:52",""
"7709939","14.2799","0.0003","14.9883","0.0003","15.241","0.0003","116.271","0.002","98.231","0.002","99.23","0.002","2801.45","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H44 Cl8 N6 O P2 Ru -","- C54 H44 Cl8 N6 O P2 Ru -","- C108 H88 Cl16 N12 O2 P4 Ru2 -","2","1","","Namdeo, Pavan; sheokand, Sonu; Kote, Basvaraj S.; Radhakrishna, Latchupatula; Kunchur, Harish S.; Saini, Prateek; Ramakrishnan, Srinivasan; Balakrishna, Maravanji Shivaramaiah","RuII complexes of 1,2,3-triazoles appended tertiary phosphines, [P(Ph){(o-C6H4)(1,2,3-N3C(Ph)CH}2] and [P(Ph){o-C6H4(CCH)- (1,2,3-N3-Ph)}2]: Highly active catalysts for transfer hydrogenation of carbonyl/nitro compounds and for α–alkylation of ketones","Dalton Transactions","2022","","","","","10.1039/D2DT00361A","","x-ray","0.71073","MoKα","","0.0627","0.0512","","","0.1204","0.1301","","","","","","1.03","","","","has coordinates","274409","2022-04-06","22:55:52",""
"7709940","10.4271","0.0004","15.5764","0.0006","19.2818","0.0007","99.136","0.003","91.058","0.003","96.911","0.003","3067.2","0.2","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H60 Al2 N6 -","- C24 H60 Al2 N6 -","- C96 H240 Al8 N24 -","4","2","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Synthesis and temperature-dependent NMR studies of monomeric and dimeric tris(dialkylamido)alanes","Dalton Transactions","2022","","","","","10.1039/D2DT00508E","","","0.71073","MoKα","","0.0498","0.0374","","","0.0912","0.0999","","","","","","1.057","","","","has coordinates,has disorder","274419","2022-04-07","22:54:49",""
"7709941","15.3937","0.0005","15.3937","0.0005","16.7614","0.0005","90","","90","","90","","3971.9","0.2","153","2","153","","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C30 H66 Al2 N12 -","- C30 H66 Al2 N12 -","- C120 H264 Al8 N48 -","4","0.5","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Synthesis and temperature-dependent NMR studies of monomeric and dimeric tris(dialkylamido)alanes","Dalton Transactions","2022","","","","","10.1039/D2DT00508E","","","0.71073","MoKα","","0.0432","0.0352","","","0.0889","0.0963","","","","","","1.066","","","","has coordinates","274419","2022-04-07","22:54:50",""
"7709942","7.0647","0.0016","11.425","0.003","20.803","0.005","90","","90","","90","","1679.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 B N2 Si -","- C18 H19 B N2 Si -","- C72 H76 B4 N8 Si4 -","4","1","","Yoshida, Hiroto; Izumi, Yuki; Hiraoka, Yuta; Nakanishi, Kazuki; Nakamoto, Masaaki; Hatano, Sayaka; Abe, Manabu","A stable silylborane with diminished boron-Lewis acidity","Dalton Transactions","2022","","","","","10.1039/D2DT00962E","","","0.71073","MoKα","","0.0397","0.0332","","","0.0731","0.076","","","","","","1.039","","","","has coordinates","274439","2022-04-08","22:59:13",""
"7709943","12.7004","0.0015","12.8883","0.0018","13.2533","0.0017","95.014","0.004","90.846","0.005","92.024","0.004","2159.4","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H33 Cu N2 O4 Se4 -","- C50 H33 Cu N2 O4 Se4 -","- C100 H66 Cu2 N4 O8 Se8 -","2","1","","Upadhyay, Aditya; Meena, Harshita; Jha, Raushan Kumar; Kanika, Kanika; Kumar, Sangit","Isolation of Monomeric Copper(II) Phenolate Selenoether Complexes using Chelating ortho-Bisphenylselenide-phenolate Ligands and Their Electrocatalytic Hydrogen Gas Evolution Activity","Dalton Transactions","2022","","","","","10.1039/D2DT00678B","","","0.71073","MoKα","","0.1563","0.0798","","","0.1703","0.2054","","","","","","0.973","","","","has coordinates","274440","2022-04-08","23:00:56",""
"7709944","20.7882","","10.506","","19.8771","","90","","90","","90","","4341.17","","140","","140","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Copper(II) Selenolate","","- C50 H32 Cu N4 O2 Se4 -","- C50 H32 Cu N4 O2 Se4 -","- C200 H128 Cu4 N16 O8 Se16 -","4","0.5","","Upadhyay, Aditya; Meena, Harshita; Jha, Raushan Kumar; Kanika, Kanika; Kumar, Sangit","Isolation of Monomeric Copper(II) Phenolate Selenoether Complexes using Chelating ortho-Bisphenylselenide-phenolate Ligands and Their Electrocatalytic Hydrogen Gas Evolution Activity","Dalton Transactions","2022","","","","","10.1039/D2DT00678B","","","0.71073","MoKα","","0.0411","0.0284","","","0.0606","0.0672","","","","","","1.0461","","","","has coordinates","274440","2022-04-08","23:00:57",""
"7709945","12.6205","0.0012","12.9154","0.0013","13.3929","0.0013","85.016","0.004","89.942","0.004","87.871","0.004","2173.3","0.4","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","Copper(II) Selenolate","","- C50 H38 Cu N2 O2 Se4 -","- C50 H38 Cu N2 O2 Se4 -","- C100 H76 Cu2 N4 O4 Se8 -","2","1","","Upadhyay, Aditya; Meena, Harshita; Jha, Raushan Kumar; Kanika, Kanika; Kumar, Sangit","Isolation of Monomeric Copper(II) Phenolate Selenoether Complexes using Chelating ortho-Bisphenylselenide-phenolate Ligands and Their Electrocatalytic Hydrogen Gas Evolution Activity","Dalton Transactions","2022","","","","","10.1039/D2DT00678B","","","0.71073","MoKα","","0.0491","0.0325","","","0.0717","0.0817","","","","","","1.0978","","","","has coordinates","274440","2022-04-08","23:00:57",""
"7709946","10.1146","0.0002","18.5309","0.0004","22.2454","0.0004","90","","98.335","0.001","90","","4125.47","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 Au2 Cl3 Fe2 P2 -","- C45 H37 Au2 Cl3 Fe2 P2 -","- C180 H148 Au8 Cl12 Fe8 P8 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0302","0.0252","","","0.0599","0.062","","","","","","1.049","","","","has coordinates","274441","2022-04-08","23:03:33",""
"7709947","14.2855","0.0009","14.8272","0.001","23.6022","0.0019","71.73","0.002","83.076","0.003","89.182","0.002","4711.2","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C93 H84 Au4 Cl5 F12 Fe4 P4 Sb2 -","- C93 H84 Au4 Cl5 F12 Fe4 P4 Sb2 -","- C186 H168 Au8 Cl10 F24 Fe8 P8 Sb4 -","2","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0276","0.0214","","","0.0474","0.0497","","","","","","1.037","","","","has coordinates","274441","2022-04-08","23:03:33",""
"7709948","20.4517","0.0008","17.3088","0.0006","15.9032","0.0006","90","","102.174","0.001","90","","5503","0.4","230","2","230","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H45 Au2 B2 Cl3 Cu2 F8 Fe2 N2 P2 -","- C48 H42 Au2 B2 Cu2 F8 Fe2 N2 P2 -","- C192 H168 Au8 B8 Cu8 F32 Fe8 N8 P8 -","4","0.5","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.024","0.0216","","","0.0565","0.0586","","","","","","1.026","","","","has coordinates,has disorder","274441","2022-04-08","23:03:33",""
"7709949","15.3175","0.0006","16.1547","0.0006","37.8665","0.0014","90","","98.533","0.001","90","","9266.3","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Au4 F14 Fe2 P4 Sb2 -","- C92 H112 Au4 F14 Fe2 P4 Sb2 -","- C368 H448 Au16 F56 Fe8 P16 Sb8 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0366","0.0321","","","0.0669","0.0695","","","","","","1.16","","","","has coordinates","274441","2022-04-08","23:03:34",""
"7709950","21.4779","0.0015","17.9763","0.0011","15.7348","0.0011","90","","125.385","0.002","90","","4952.9","0.6","120","2","120","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C48 H44 Au2 B Cl5 Cu2 F4 Fe2 P2 -","- C46 H40 Au2 B Cl3 Cu2 F4 Fe2 P2 -","- C184 H160 Au8 B4 Cl12 Cu8 F16 Fe8 P8 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0133","0.0132","","","0.0325","0.0325","","","","","","1.023","","","","has coordinates,has disorder","274441","2022-04-08","23:03:34",""
"7709951","16.646","0.0008","18.3325","0.001","18.4995","0.001","110.924","0.002","110.25","0.002","95.271","0.002","4795.3","0.5","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C97 H86.5 Ag2 Au4 Cl2 F12 Fe4 N3.5 P4 Sb2 -","- C94 H82 Ag2 Au4 Cl2 F12 Fe4 N2 P4 Sb2 -","- C188 H164 Ag4 Au8 Cl4 F24 Fe8 N4 P8 Sb4 -","2","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0166","0.0152","","","0.0361","0.037","","","","","","1.044","","","","has coordinates","274441","2022-04-08","23:03:34",""
"7709952","19.446","0.0007","17.9881","0.0006","26.4218","0.0009","90","","103.181","0.001","90","","8998.8","0.5","120","2","120","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C91 H78 Au4 B2 Cl6 Cu4 F8 Fe4 O P4 -","- C91 H78 Au4 B2 Cl6 Cu4 F8 Fe4 O P4 -","- C364 H312 Au16 B8 Cl24 Cu16 F32 Fe16 O4 P16 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.0189","0.017","","","0.0365","0.0371","","","","","","1.117","","","","has coordinates","274441","2022-04-08","23:03:34",""
"7709953","13.2872","0.0007","22.7547","0.0013","33.741","0.002","90","","96.291","0.002","90","","10140","1","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H83 Au6 Cl10 Fe4 N O8 P4 -","- C88 H72 Au6 Cl2 Fe4 O8 P4 -","- C352 H288 Au24 Cl8 Fe16 O32 P16 -","4","1","","Schulz, Jiří; Císařová, Ivana; Gyepes, Róbert; Štěpnička, Petr","Metallation of a gold(I) metalloligand with P,C-bridging phosphinoferrocenyl groups enables the construction of defined multimetallic arrays.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00850e","","","0.71073","MoKα","","0.041","0.0296","","","0.0694","0.0745","","","","","","1.041","","","","has coordinates","274441","2022-04-08","23:03:34",""
"7709954","8.9408","0.0005","9.5762","0.0005","10.2682","0.0006","62.279","0.005","74.45","0.005","81.103","0.004","749.3","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N4 P2 -","- C36 H32 N4 P2 -","- C36 H32 N4 P2 -","1","0.5","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0457","0.037","","","0.0897","0.095","","","","","","1.105","","","","has coordinates","274442","2022-04-08","23:06:12",""
"7709955","19.2473","0.0006","14.893","0.0005","10.3914","0.0004","90","","90.335","0.003","90","","2978.64","0.18","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O2 P2 -","- C36 H32 N4 O2 P2 -","- C144 H128 N16 O8 P8 -","4","1","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0666","0.0494","","","0.1111","0.1237","","","","","","1.03","","","","has coordinates","274442","2022-04-08","23:06:12",""
"7709956","9.3602","0.0007","13.5014","0.0009","16.0901","0.0016","108.01","0.007","103.978","0.007","92.449","0.006","1861.3","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 B2 Cl2 F4 N4 P2 S2 -","- C37 H32 B2 Cl2 F4 N4 P2 S2 -","- C74 H64 B4 Cl4 F8 N8 P4 S4 -","2","1","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","1.54184","CuKα","","0.1511","0.1065","","","0.2824","0.3303","","","","","","1.025","","","","has coordinates","274442","2022-04-08","23:06:12",""
"7709957","20.1925","0.0008","18.0964","0.0004","20.5065","0.0007","90","","118.817","0.005","90","","6565.4","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 P2 S2 -","- C36 H32 N4 P2 S2 -","- C288 H256 N32 P16 S16 -","8","4","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.084","0.0603","","","0.1138","0.1303","","","","","","1.049","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709958","8.8004","0.0003","13.435","0.0005","15.5523","0.0004","108.367","0.003","96.762","0.003","90.049","0.003","1731.58","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 B2 F4 N4 P2 S2 -","- C36 H30 B2 F4 N4 P2 S2 -","- C72 H60 B4 F8 N8 P4 S4 -","2","1","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0666","0.046","","","0.0944","0.1087","","","","","","1.047","","","","has coordinates,has disorder","274442","2022-04-08","23:06:13",""
"7709959","12.26","0.0005","12.3283","0.0005","14.7477","0.0006","113.82","0.004","90.964","0.003","112.284","0.004","1848.45","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 B2 F4 N4 O2 P2 -","- C36 H30 B2 F4 N4 O2 P2 -","- C72 H60 B4 F8 N8 O4 P4 -","2","1","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0854","0.0585","","","0.1346","0.1539","","","","","","1.024","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709960","20.403","0.0006","18.0437","0.0004","20.5579","0.0005","90","","117.871","0.003","90","","6690.4","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 P2 Se2 -","- C36 H32 N4 P2 Se2 -","- C288 H256 N32 P16 Se16 -","8","4","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","x-ray","0.71073","MoKα","","0.0525","0.0434","","","0.0923","0.0977","","","","","","1.052","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709961","25.0141","0.0006","16.0868","0.0003","17.0784","0.0004","90","","90","","90","","6872.3","0.3","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C36 H30 B2 F4 N4 P2 Se2 -","- C36 H30 B2 F4 N4 P2 Se2 -","- C288 H240 B16 F32 N32 P16 Se16 -","8","2","","Mondal, Dipanjan; Sardar, Gopa; Kabra, Dinesh; Balakrishna, Maravanji Shivaramaiah","2,2’-Bipyridine derived doubly BN fused bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se): Tuning of structural features and photophysical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00287F","","","0.71073","MoKα","","0.051","0.0419","","","0.0935","0.099","","","","","","1.039","","","","has coordinates","274442","2022-04-08","23:06:13",""
"7709962","4.5135","0.0008","7.7984","0.0011","7.84","0.0013","89.141","0.012","80.887","0.014","84.09","0.013","271.02","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H6 O2 S Zn -","- C2 H6 O2 S Zn -","- C4 H12 O4 S2 Zn2 -","2","1","","Tulewicz, Adam; Szejko, Vadim; Justyniak, Iwona; Wolska, Małgorzata; Lewinski, Janusz","Exploring the reactivity of homoleptic organozincs towards SO2: Synthesis and structure of a homologous series of organozinc sulfinates","Dalton Transactions","2022","","","","","10.1039/D2DT00577H","","","0.71073","MoKα","","0.0701","0.0632","","","0.1609","0.1688","","","","","","1.088","","","","has coordinates","274457","2022-04-11","23:05:36",""
"7709963","11.9492","0.0003","12.8183","0.0007","16.1223","0.0005","86.157","0.003","78.812","0.002","75.515","0.003","2345.05","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 O8 S4 Zn4 -","- C32 H72 O8 S4 Zn4 -","- C64 H144 O16 S8 Zn8 -","2","1","","Tulewicz, Adam; Szejko, Vadim; Justyniak, Iwona; Wolska, Małgorzata; Lewinski, Janusz","Exploring the reactivity of homoleptic organozincs towards SO2: Synthesis and structure of a homologous series of organozinc sulfinates","Dalton Transactions","2022","","","","","10.1039/D2DT00577H","","","0.71073","MoKα","","0.0611","0.0374","","","0.0646","0.072","","","","","","1.019","","","","has coordinates","274457","2022-04-11","23:05:37",""
"7709964","8.792","0.005","9.326","0.005","10.669","0.005","78.722","0.005","74.655","0.005","67.772","0.005","776.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 O6 S2 Zn2 -","- C32 H36 O6 S2 Zn2 -","- C32 H36 O6 S2 Zn2 -","1","0.5","","Tulewicz, Adam; Szejko, Vadim; Justyniak, Iwona; Wolska, Małgorzata; Lewinski, Janusz","Exploring the reactivity of homoleptic organozincs towards SO2: Synthesis and structure of a homologous series of organozinc sulfinates","Dalton Transactions","2022","","","","","10.1039/D2DT00577H","","","0.71073","MoKα","","0.0449","0.0361","","","0.0826","0.0872","","","","","","1.05","","","","has coordinates","274457","2022-04-11","23:05:37",""
"7709965","14.6367","0.0003","10.2416","0.0003","8.7513","0.0002","90","","90","","90","","1311.85","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","S-2-I","","- C6 H14 I3 N Pb0.5 -","- C5 H14 I3 N2 Pb0.5 -","- C20 H56 I12 N8 Pb2 -","4","1","","Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang","Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00557C","","x-ray","0.71073","MoKα","","0.0188","0.0183","","","0.0398","0.04","","","","","","1.012","","","","has coordinates","274458","2022-04-11","23:06:33",""
"7709966","14.6421","0.0005","10.2354","0.0003","8.7575","0.0002","90","","90","","90","","1312.47","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","C5H14N2Pb0.5I3","","- C10 H28 I6 N4 Pb -","- C10 H28 I6 N4 Pb -","- C20 H56 I12 N8 Pb2 -","2","0.5","","Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang","Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00557C","","x-ray","0.71073","MoKα","","0.0298","0.028","","","0.0642","0.0648","","","","","","1.077","","","","has coordinates","274458","2022-04-11","23:06:36",""
"7709967","9.5613","0.0002","10.081","0.0002","15.1805","0.0003","90","","106.42","0.002","90","","1403.53","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","rac-2-I","","- C5 H14 I3 N3.5 O0.25 Pb0.5 -","- C5 H17 I3 N2 O1.5 Pb0.5 -","- C20 H68 I12 N8 O6 Pb2 -","4","1","","Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang","Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00557C","","x-ray","0.71073","MoKα","","0.0177","0.017","","","0.0394","0.0397","","","","","","1.12","","","","has coordinates","274458","2022-04-11","23:06:36",""
"7709968","9.3753","0.0008","12.7009","0.0011","14.4552","0.0011","82.985","0.003","80.795","0.003","76.224","0.003","1643.9","0.2","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl4 N4 Ni O2 -","- C34 H24 Cl4 N4 Ni O2 -","- C68 H48 Cl8 N8 Ni2 O4 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0588","0.0453","","","0.0982","0.1057","","","","","","1.069","","","","has coordinates","274459","2022-04-11","23:11:27",""
"7709969","16.869","0.004","11.17","0.002","20.248","0.004","90","","112.069","0.006","90","","3535.7","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N4 Ni O5 -","- C43 H32 N4 Ni O5 -","- C172 H128 N16 Ni4 O20 -","4","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0489","0.0335","","","0.0836","0.0916","","","","","","0.995","","","","has coordinates,has disorder","274459","2022-04-11","23:11:38",""
"7709970","10.3453","0.0005","31.1403","0.0014","16.4048","0.0008","90","","93.229","0.002","90","","5276.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H37.5 Cl4 N8 Ni2 O8.5 -","- C60.5 H37.5 Cl4 N8 Ni2 O8.5 -","- C242 H150 Cl16 N32 Ni8 O34 -","4","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.1006","0.0479","","","0.0844","0.1019","","","","","","0.996","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709971","11.0868","0.0003","23.1713","0.0008","15.8154","0.0005","90","","107.868","0.001","90","","3866.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 I4 N4 Ni O2 -","- C42 H24 I4 N4 Ni O2 -","- C168 H96 I16 N16 Ni4 O8 -","4","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0755","0.0432","","","0.0887","0.1","","","","","","1.017","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709972","14.859","0.003","10.6391","0.0018","29.85","0.005","90","","90","","90","","4718.9","1.5","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 Ni O4 -","- C28 H20 N4 Ni O4 -","- C224 H160 N32 Ni8 O32 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.1207","0.0499","","","0.0809","0.097","","","","","","1.019","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709973","15.942","0.003","9.5116","0.0015","18.694","0.003","90","","90","","90","","2834.6","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Cl2 N4 Ni O4 -","- C30 H26 Cl2 N4 Ni O4 -","- C120 H104 Cl8 N16 Ni4 O16 -","4","0.5","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.127","0.0589","","","0.1249","0.1504","","","","","","1.027","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709974","15.8939","0.0008","9.8509","0.0004","18.1551","0.0008","90","","90","","90","","2842.5","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H22 Cl2 N4 Ni O4 -","- C30 H22 Cl2 N4 Ni O4 -","- C120 H88 Cl8 N16 Ni4 O16 -","4","0.5","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.1524","0.0676","","","0.1204","0.1466","","","","","","1.035","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709975","12.6484","0.0008","20.5153","0.0015","23.4843","0.0017","98.674","0.003","92.536","0.002","95.017","0.002","5990.8","0.7","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H88 Cl16 N16 Ni4 O14 -","- C126 H88 Cl16 N16 Ni4 O14 -","- C252 H176 Cl32 N32 Ni8 O28 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0988","0.0587","","","0.1338","0.1572","","","","","","1.047","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709976","10.6177","0.0005","11.7231","0.0005","13.7986","0.0006","87.004","0.001","71.322","0.001","71.063","0.001","1536.46","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl2 N4 Ni O4 -","- C32 H30 Cl2 N4 Ni O4 -","- C64 H60 Cl4 N8 Ni2 O8 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0863","0.0465","","","0.0965","0.1088","","","","","","1.019","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709977","11.7481","0.0004","21.2938","0.0008","12.5553","0.0004","90","","92.0463","0.0015","90","","3138.85","0.19","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N4 Ni O5 -","- C35 H36 N4 Ni O5 -","- C140 H144 N16 Ni4 O20 -","4","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0647","0.0565","","","0.1361","0.1416","","","","","","1.16","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709978","18.9427","0.001","9.0321","0.0006","31.3833","0.0015","90","","90.266","0.005","90","","5369.4","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N4 Ni O6 -","- C30 H24 N4 Ni O6 -","- C240 H192 N32 Ni8 O48 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0897","0.061","","","0.1393","0.1645","","","","","","1.001","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709979","14.3136","0.0003","15.6216","0.0003","17.4536","0.0004","90","","96.765","0.001","90","","3875.48","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H32 Cl4 N4 Ni O3 -","- C45 H32 Cl4 N4 Ni O3 -","- C180 H128 Cl16 N16 Ni4 O12 -","4","2","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","1.54178","CuKα","","0.0682","0.0618","","","0.1509","0.1556","","","","","","1.002","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709980","8.9012","0.0002","11.3885","0.0002","15.2431","0.0003","77.0354","0.0007","86.1617","0.0008","75.326","0.0008","1456.62","0.05","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Cl4 N4 Ni O2 -","- C32 H24 Cl4 N4 Ni O2 -","- C64 H48 Cl8 N8 Ni2 O4 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","1.54178","CuKα","","0.0635","0.0612","","","0.1597","0.1631","","","","","","1.075","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709981","10.442","0.002","10.492","0.002","12.933","0.002","96.981","0.006","90.412","0.006","107.475","0.006","1340.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 N4 Ni O5 -","- C31 H24 N4 Ni O5 -","- C62 H48 N8 Ni2 O10 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.093","0.0482","","","0.0894","0.1017","","","","","","1.014","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709982","8.8229","0.0005","10.9962","0.0007","14.068","0.0009","94.63","0.005","104.322","0.005","96.494","0.005","1305.55","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 Ni O4 -","- C30 H24 N4 Ni O4 -","- C60 H48 N8 Ni2 O8 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","x-ray","0.71073","MoKα","","0.0776","0.0547","","","0.1135","0.1339","","","","","","1.071","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709983","19.1813","0.0008","15.3203","0.0007","14.7737","0.0005","90","","110.76","0.0017","90","","4059.6","0.3","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl4 N4 Ni O4 -","- C46 H36 Cl4 N4 Ni O4 -","- C184 H144 Cl16 N16 Ni4 O16 -","4","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.07","0.0524","","","0.1242","0.1353","","","","","","1.097","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709984","10.507","0.006","12.004","0.007","13.598","0.006","78.615","0.016","73","0.02","86.013","0.018","1607.7","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H31.5 Cl4 N4 Ni O4.5 -","- C32.5 H31.5 Cl4 N4 Ni O4.5 -","- C65 H63 Cl8 N8 Ni2 O9 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0825","0.0557","","","0.1436","0.1714","","","","","","1.005","","","","has coordinates","274459","2022-04-11","23:11:40",""
"7709985","15.3688","0.0004","16.0251","0.0003","22.4547","0.0006","90","","90","","90","","5530.3","0.2","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 I2 N4 Ni O2 -","- C28 H16 Cl2 I2 N4 Ni O2 -","- C224 H128 Cl16 I16 N32 Ni8 O16 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0597","0.0519","","","0.1388","0.1458","","","","","","1.059","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7709986","10.482","0.002","11.84","0.003","14.351","0.003","89.092","0.007","72.122","0.007","69.927","0.007","1584.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl2 N4 Ni O6 -","- C32 H30 Cl2 N4 Ni O6 -","- C64 H60 Cl4 N8 Ni2 O12 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0676","0.0433","","","0.0978","0.1078","","","","","","1.028","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7709987","10.6007","0.0008","11.7034","0.001","12.3657","0.0009","85.752","0.006","75.849","0.006","76.634","0.007","1447","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 Ni O5 -","- C33 H28 N4 Ni O5 -","- C66 H56 N8 Ni2 O10 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0608","0.0442","","","0.091","0.1005","","","","","","1.005","","","","has coordinates,has disorder","274459","2022-04-11","23:11:41",""
"7709988","27.0578","0.0007","11.1058","0.0003","24.735","0.0007","90","","90","","90","","7432.8","0.3","150","2","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C37 H36 Cl2 I2 N4 Ni O3 -","- C37 H36 Cl2 I2 N4 Ni O3 -","- C296 H288 Cl16 I16 N32 Ni8 O24 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0852","0.0708","","","0.1454","0.1524","","","","","","1.228","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7709989","10.6119","0.0006","10.6486","0.0006","15.4291","0.0009","89.319","0.002","73.567","0.002","70.849","0.002","1573.43","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl4 N4 Ni O2 -","- C34 H24 Cl4 N4 Ni O2 -","- C68 H48 Cl8 N8 Ni2 O4 -","2","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0997","0.048","","","0.1092","0.1319","","","","","","1.029","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7709990","11.2643","0.0008","12.9129","0.0009","9.905","0.0007","90","","92.136","0.002","90","","1439.73","0.18","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","HMN","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Yadav, Pranjalee; Gond, Sarita; Shekher, Anusmita; Gupta, Subash Chandra; Singh, Udai P.; Singh, Vinod Prasad","A multifunctional basic pH indicator probe for distinguishable detection of Co2+, Cu2+ and Zn2+ with its utility in mitotracking and monitoring cytoplasmic viscosity in apoptotic cells","Dalton Transactions","2022","","","","","10.1039/D2DT00286H","","","0.71073","MoKα","","0.0751","0.0508","","","0.1066","0.1232","","","","","","1.075","","","","has coordinates","274460","2022-04-11","23:15:02",""
"7709991","14.696","0.003","21.242","0.004","21.576","0.004","85.11","0.03","71.23","0.03","85.78","0.03","6346","2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C178 H134 Cu3 F108 N28 O52 Tb4 -","- C178 H134 Cu3 F108 N28 O52 Tb4 -","- C178 H134 Cu3 F108 N28 O52 Tb4 -","1","0.5","","Xi, Lu; Jin, Chaoyi; Song, Hong-Wei; Wang, Xiao-Tong; Li, Licun; Sutter, Jean-Pascal","Supramolecular heptanuclear Ln-Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior","Dalton Transactions","2022","","","","","10.1039/D2DT00220E","","","0.71073","MoKα","","0.1093","0.082","","","0.2224","0.2531","","","","","","1.059","","","","has coordinates","274461","2022-04-11","23:16:58",""
"7709992","14.789","0.003","21.301","0.004","21.621","0.004","85.11","0.03","71.25","0.03","85.82","0.03","6419","2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C178 H134 Cu3 Dy4 F108 N28 O52 -","- C178 H134 Cu3 Dy4 F108 N28 O52 -","- C178 H134 Cu3 Dy4 F108 N28 O52 -","1","0.5","","Xi, Lu; Jin, Chaoyi; Song, Hong-Wei; Wang, Xiao-Tong; Li, Licun; Sutter, Jean-Pascal","Supramolecular heptanuclear Ln-Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior","Dalton Transactions","2022","","","","","10.1039/D2DT00220E","","","0.71073","MoKα","","0.1266","0.098","","","0.2488","0.2754","","","","","","1.066","","","","has coordinates","274461","2022-04-11","23:16:59",""
"7709993","14.6422","0.0006","21.1036","0.0009","21.4102","0.0008","85.124","0.003","71.356","0.004","85.871","0.003","6238.9","0.5","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C178 H134 Cu3 F108 Ho4 N28 O52 -","- C178 H134 Cu3 F108 Ho4 N28 O52 -","- C178 H134 Cu3 F108 Ho4 N28 O52 -","1","0.5","","Xi, Lu; Jin, Chaoyi; Song, Hong-Wei; Wang, Xiao-Tong; Li, Licun; Sutter, Jean-Pascal","Supramolecular heptanuclear Ln-Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior","Dalton Transactions","2022","","","","","10.1039/D2DT00220E","","","0.71073","MoKα","","0.134","0.0958","","","0.241","0.2679","","","","","","1.04","","","","has coordinates","274461","2022-04-11","23:17:00",""
"7709994","14.695","0.003","21.213","0.004","21.502","0.004","85.16","0.03","71.34","0.03","85.75","0.03","6320","2","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C178 H134 Cu3 F108 N28 O52 Y4 -","- C178 H134 Cu3 F108 N28 O52 Y4 -","- C178 H134 Cu3 F108 N28 O52 Y4 -","1","0.5","","Xi, Lu; Jin, Chaoyi; Song, Hong-Wei; Wang, Xiao-Tong; Li, Licun; Sutter, Jean-Pascal","Supramolecular heptanuclear Ln-Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior","Dalton Transactions","2022","","","","","10.1039/D2DT00220E","","","0.71073","MoKα","","0.2169","0.1204","","","0.3026","0.3768","","","","","","1.06","","","","has coordinates,has disorder","274461","2022-04-11","23:17:00",""
"7709995","16.6621","0.0018","11.5428","0.0012","14.7676","0.0015","90","","99.816","0.01","90","","2798.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Co N4 O4 S2 -","- C30 H28 Co N4 O4 S2 -","- C120 H112 Co4 N16 O16 S8 -","4","0.5","","Lou, Yu-Siang; Lin, Bo-Ruei; Wu, Chen-Ming; Chien, Su-Ying; Yang, En-Che","Phonon-induced relaxation mechanisms are changed by a chelating effect in a CoII single-ion magnet","Dalton Transactions","2022","","","","","10.1039/D1DT03515K","","","0.71073","MoKα","","0.0473","0.0414","","","0.1108","0.1179","","","","","","1.016","","","","has coordinates","274462","2022-04-11","23:18:28",""
"7709996","18.7232","0.0014","12.826","0.0009","32.042","0.003","90","","95.582","0.007","90","","7658.2","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H44 Cl Co N6 O4.5 S2 -","- C36.5 H44 Cl Co N6 O4.5 S2 -","- C292 H352 Cl8 Co8 N48 O36 S16 -","8","2","","Lou, Yu-Siang; Lin, Bo-Ruei; Wu, Chen-Ming; Chien, Su-Ying; Yang, En-Che","Phonon-induced relaxation mechanisms are changed by a chelating effect in a CoII single-ion magnet","Dalton Transactions","2022","","","","","10.1039/D1DT03515K","","","0.71073","MoKα","","0.1906","0.0888","","","0.1993","0.2873","","","","","","1.066","","","","has coordinates,has disorder","274462","2022-04-11","23:18:28",""
"7709997","19.5098","0.0016","31.08","0.003","14.1457","0.0012","90","","104.583","0.003","90","","8301.1","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H39 Co N4 O6 S2 -","- C45 H39 Co N4 O5.5 S2 -","- C360 H312 Co8 N32 O44 S16 -","8","2","","Lou, Yu-Siang; Lin, Bo-Ruei; Wu, Chen-Ming; Chien, Su-Ying; Yang, En-Che","Phonon-induced relaxation mechanisms are changed by a chelating effect in a CoII single-ion magnet","Dalton Transactions","2022","","","","","10.1039/D1DT03515K","","","0.71073","MoKα","","0.1092","0.0859","","","0.2097","0.2214","","","","","","1.355","","","","has coordinates,has disorder","274462","2022-04-11","23:18:29",""
"7709998","6.6027","0.0003","24.6116","0.0013","7.5898","0.0004","90","","90.521","0.004","90","","1233.31","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RbIn4S6Cl","","","- Cl2 In8 Rb2 S12 -","- Cl2 In8 Rb2 S12 -","- Cl4 In16 Rb4 S24 -","2","0.5","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.049","0.0388","","","0.1521","0.1587","","","","","","0.999","","","","has coordinates","274464","2022-04-11","23:20:07",""
"7709999","21.2415","0.0009","12.3226","0.0005","4.0333","0.0002","90","","90","","90","","1055.72","0.08","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","Pb5Sn3Se10Cl2","","","- Cl2 Pb5 Se10 Sn3 -","- Cl2 Pb5 Se10 Sn3 -","- Cl4 Pb10 Se20 Sn6 -","2","0.125","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.0548","0.0536","","","0.1106","0.1119","","","","","","0.999","","","","has coordinates","274464","2022-04-11","23:20:26",""
"7710000","20.613","0.002","11.9109","0.001","3.8957","0.0003","90","","90","","90","","956.47","0.14","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","Pb5Sn5S10Cl2","","","- Ba0 Cl2 Pb5 S10 Sn3 -","- Cl2 Pb5 S10 Sn3 -","- Cl4 Pb10 S20 Sn6 -","2","0.125","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.0304","0.0279","","","0.0666","0.0678","","","","","","1.001","","","","has coordinates","274464","2022-04-11","23:20:26",""
"7710001","7.5885","0.0004","6.6368","0.0003","25.0119","0.0011","90","","94.616","0.004","90","","1255.6","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CsIn4S6Cl","","","- Cl2 Cs2 In8 S12 -","- Cl2 Cs2 In8 S12 -","- Cl4 Cs4 In16 S24 -","2","0.5","","Jiang, Lin-Tao; Li, Ming-Ze; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AIn4S6Cl (A = Rb and Cs) and Pb5Sn3Q10Cl2 (Q = S and Se): quaternary chalcohalides with mixed anionic coordination exhibit photocurrent responses","Dalton Transactions","2022","","","","","10.1039/D2DT00350C","","","0.71073","MoKα","","0.0745","0.0692","","","0.2516","0.2598","","","","","","1.019","","","","has coordinates","274464","2022-04-11","23:20:26",""
"7710002","8.9389","0.0005","8.9389","0.0005","9.6152","0.0005","90","","90","","120","","665.36","0.06","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 N6 Ni O4 S0.98 -","- C6 H24 N6 Ni O3.9996 S0.981 -","- C12 H48 N12 Ni2 O7.9992 S1.962 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0318","0.0299","","","0.0756","0.0764","","","","","","1.165","","","","has coordinates","274465","2022-04-11","23:22:11",""
"7710003","15.6935","0.0005","15.6935","0.0005","9.5255","0.0004","90","","90","","120","","2031.69","0.13","150","0.1","150","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C6 H24 Mn N6 O4 S -","- C6 H24 Mn N6 O4 S -","- C36 H144 Mn6 N36 O24 S6 -","6","0.5","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0697","0.0544","","","0.1548","0.1669","","","","","","1.108","","","","has coordinates","274465","2022-04-11","23:22:11",""
"7710004","9.0947","0.0004","9.0947","0.0004","9.5725","0.0005","90","","90","","120","","685.7","0.06","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Mn N6 O4 S -","- C6 H24 Mn N6 O3.9996 S -","- C12 H48 Mn2 N12 O7.9992 S2 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","","0.71073","MoKα","","0.0322","0.029","","","0.077","0.0788","","","","","","1.115","","","","has coordinates,has disorder","274465","2022-04-11","23:22:11",""
"7710005","9.1957","0.0003","9.1957","0.0003","9.5096","0.0004","90","","90","","120","","696.41","0.04","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C6 H24 Cd N6 O4 S -","- C6 H24 Cd N6 O3.9996 S -","- C12 H48 Cd2 N12 O7.9992 S2 -","2","0.166667","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","","0.71073","MoKα","","0.0303","0.0294","","","0.0749","0.0756","","","","","","1.067","","","","has coordinates,has disorder","274465","2022-04-11","23:22:12",""
"7710006","8.8526","0.0004","8.8526","0.0004","9.6749","0.0004","90","","90","","120","","656.63","0.05","140","0.1","140","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 N6 Ni O4 S -","- C6 H24 N6 Ni O4 S -","- C12 H48 N12 Ni2 O8 S2 -","2","0.333333","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0377","0.0376","","","0.0991","0.0992","","","","","","1.124","","","","has coordinates","274465","2022-04-11","23:22:12",""
"7710007","9.1148","0.0004","9.1148","0.0004","9.5425","0.0005","90","","90","","120","","686.57","0.06","139.99","0.1","139.99","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C6 H24 Cd N6 O4 S -","- C6 H24 Cd N6 O4 S -","- C12 H48 Cd2 N12 O8 S2 -","2","0.333333","","Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun","A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion","Dalton Transactions","2022","","","","","10.1039/D2DT00506A","","x-ray","0.71073","MoKα","","0.0488","0.0474","","","0.1151","0.1156","","","","","","1.15","","","","has coordinates","274465","2022-04-11","23:22:12",""
"7710008","11.8421","0.0005","12.9923","0.0006","23.2678","0.001","86.393","0.001","82.851","0.001","86.258","0.001","3539.1","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C102 H72 Cl4 Cu6 F72 N8 O32 -","2","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.0784","0.0578","","","0.1627","0.1816","","","","","","1.042","","","","has coordinates","274502","2022-04-12","22:58:34",""
"7710009","13.9361","0.0006","16.4219","0.0006","16.4923","0.0007","90","","97.969","0.001","90","","3737.9","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.101","0.0719","","","0.2041","0.2322","","","","","","1.05","","","","has coordinates,has disorder","274502","2022-04-12","22:58:35",""
"7710010","11.8309","0.0005","12.9886","0.0006","23.257","0.001","86.396","0.001","82.885","0.001","86.253","0.001","3533.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C102 H72 Cl4 Cu6 F72 N8 O32 -","2","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.0785","0.0592","","","0.162","0.1806","","","","","","1.048","","","","has coordinates","274502","2022-04-12","22:58:35",""
"7710011","11.4818","0.0006","12.8334","0.0007","23.0847","0.0012","86.454","0.002","82.297","0.002","86.259","0.002","3358.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C51 H36 Cl2 Cu3 F36 N4 O16 -","- C102 H72 Cl4 Cu6 F72 N8 O32 -","2","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.0561","0.0448","","","0.1153","0.1215","","","","","","1.096","","","","has coordinates,has disorder","274502","2022-04-12","22:58:35",""
"7710012","13.7424","0.0007","16.308","0.0008","16.4356","0.0008","90","","97.467","0.002","90","","3652.2","0.3","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.1016","0.067","","","0.1755","0.2016","","","","","","1.026","","","","has coordinates","274502","2022-04-12","22:58:35",""
"7710013","13.7971","0.0006","16.331","0.0006","16.4249","0.0007","90","","97.553","0.001","90","","3668.8","0.3","200","2","200","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.0831","0.0658","","","0.1699","0.1864","","","","","","1.033","","","","has coordinates","274502","2022-04-12","22:58:35",""
"7710014","13.4878","0.0009","15.9674","0.0011","17.039","0.0011","90","","95.059","0.002","90","","3655.3","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.1103","0.0906","","","0.2785","0.307","","","","","","1.034","","","","has coordinates","274502","2022-04-12","22:58:36",""
"7710015","13.6008","0.0008","16.4423","0.0009","16.3539","0.001","90","","97.576","0.002","90","","3625.3","0.4","130","2","130","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.1079","0.0822","","","0.2372","0.2673","","","","","","1.051","","","","has coordinates","274502","2022-04-12","22:58:36",""
"7710016","13.458","0.004","15.961","0.004","17.039","0.004","90","","95.05","0.007","90","","3645.8","1.7","85","2","85","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 Cu1.5 F18 N2 O8 -","- C25 H17 Cu1.5 F18 N2 O8 -","- C100 H68 Cu6 F72 N8 O32 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Suzuki, Takashi; Umeo, Kazunori; Inoue, Katsuya; Kurmoo, Mohamedally","Ferroelastic-like transition and solvents affect the magnetism of a copper–organic radical one-dimensional coordination polymer","Dalton Transactions","2022","","","","","10.1039/D2DT00135G","","","0.71073","MoKα","","0.236","0.1522","","","0.4142","0.4716","","","","","","1.545","","","","has coordinates","274502","2022-04-12","22:58:36",""
"7710017","13.6553","0.0014","5.3152","0.0006","11.405","0.0012","90","","108.258","0.003","90","","786.11","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cd N2 O4 -","- C18 H16 Cd N2 O4 -","- C36 H32 Cd2 N4 O8 -","2","0.5","","Kanzariya, Dashrathbhai B.; Khan, Tuhin S.; Das, Sourav; Lama, Prem; Bandyopadhyay, Rajib; Pal, Tapan K.","Highly regenerative, fast colorimetric response for organo-toxin and oxo-anions in an aqueous medium using a discrete luminescent Cd(ii) complex in a heterogeneous manner with theoretical revelation","Dalton Transactions","2022","","","","","10.1039/D2DT00707J","","","0.71073","MoKα","","0.0367","0.0261","","","0.054","0.0601","","","","","","1.086","","","","has coordinates","274503","2022-04-12","22:59:05",""
"7710018","20.223","0.0011","10.5573","0.0006","22.0212","0.0012","90","","94.884","0.002","90","","4684.5","0.4","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 Gd O9 -","- C15 H12 Br6 Gd O9 -","- C120 H96 Br48 Gd8 O72 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0265","0.0207","","","0.0417","0.0433","","","","","","1.04","","","","has coordinates","274516","2022-04-13","23:00:55",""
"7710019","20.1546","0.0015","10.5416","0.0008","22.016","0.0017","90","","94.94","0.003","90","","4660.2","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 O9 Tb -","- C15 H12 Br6 O9 Tb -","- C120 H96 Br48 O72 Tb8 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0446","0.0279","","","0.048","0.0518","","","","","","1.019","","","","has coordinates","274516","2022-04-13","23:00:56",""
"7710020","9.165","0.002","9.216","0.002","10.039","0.002","104.271","0.008","93.426","0.008","99.634","0.009","805.6","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Br4 Gd N O8 -","- C9 H4 Br4 Gd N O8 -","- C18 H8 Br8 Gd2 N2 O16 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0327","0.0242","","","0.0496","0.0526","","","","","","1.025","","","","has coordinates","274516","2022-04-13","23:00:56",""
"7710021","11.587","0.005","18.133","0.007","21.632","0.009","90","","97.686","0.015","90","","4504","3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.7 H15.4 Br12 Gd2 O17 -","- C26.7 H15.4 Br12 Gd2 O17 -","- C106.8 H61.6 Br48 Gd8 O68 -","4","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0588","0.0326","","","0.0619","0.0687","","","","","","1.012","","","","has coordinates,has disorder","274516","2022-04-13","23:00:56",""
"7710022","9.1555","0.0007","9.1608","0.0007","10.0141","0.0008","104.319","0.002","93.375","0.003","99.769","0.003","797.52","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Br4 Dy N O8 -","- C9 H4 Br4 Dy N O8 -","- C18 H8 Br8 Dy2 N2 O16 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0364","0.0321","","","0.0842","0.0857","","","","","","1.178","","","","has coordinates","274516","2022-04-13","23:00:56",""
"7710023","10.3577","0.0005","12.609","0.0005","16.2094","0.0008","77.356","0.002","72.911","0.002","68.745","0.002","1870.78","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br8 N2 O18 Sm2 -","- C20 H16 Br8 N2 O18 Sm2 -","- C40 H32 Br16 N4 O36 Sm4 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0589","0.0355","","","0.0767","0.0844","","","","","","1.02","","","","has coordinates","274516","2022-04-13","23:00:56",""
"7710024","20.425","0.0015","10.6255","0.0007","22.0706","0.0015","90","","94.676","0.003","90","","4773.9","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 O9 Pr -","- C15 H12 Br6 O9 Pr -","- C120 H96 Br48 O72 Pr8 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0321","0.0231","","","0.0459","0.0483","","","","","","1.036","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710025","8.6228","0.0001","22.3036","0.0004","16.5045","0.0003","90","","95.941","0.001","90","","3157.09","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br12 O30 Tb2 -","- C36 H48 Br12 O30 Tb2 -","- C72 H96 Br24 O60 Tb4 -","2","0.5","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0291","0.0235","","","0.0505","0.0524","","","","","","1.022","","","","has coordinates,has disorder","274516","2022-04-13","23:00:57",""
"7710026","9.1698","0.0003","9.1909","0.0003","10.0385","0.0002","104.299","0.001","93.492","0.001","99.649","0.001","803.58","0.04","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Br4 N O8 Tb -","- C9 H4 Br4 N O8 Tb -","- C18 H8 Br8 N2 O16 Tb2 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0292","0.0246","","","0.0472","0.0487","","","","","","1.069","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710027","10.42","0.001","12.6555","0.0012","16.2502","0.0018","77.141","0.004","72.822","0.003","68.507","0.003","1889.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br8 Ce2 N2 O18 -","- C20 H16 Br8 Ce2 N2 O18 -","- C40 H32 Br16 Ce4 N4 O36 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0503","0.0361","","","0.0826","0.0886","","","","","","1.066","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710028","11.55","0.004","17.97","0.005","21.577","0.006","90","","97.91","0.01","90","","4436","2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.7 H15.4 Br12 Dy2 O17 -","- C26.7 H15.4 Br12 Dy2 O17 -","- C106.8 H61.6 Br48 Dy8 O68 -","4","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0695","0.0435","","","0.0772","0.085","","","","","","1.066","","","","has coordinates,has disorder","274516","2022-04-13","23:00:57",""
"7710029","20.482","0.005","10.656","0.003","22.09","0.006","90","","94.658","0.009","90","","4805","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 Ce O9 -","- C15 H12 Br6 Ce O9 -","- C120 H96 Br48 Ce8 O72 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0298","0.0221","","","0.0435","0.0454","","","","","","1.041","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710030","20.2349","0.0012","10.5715","0.0006","22.0267","0.0015","90","","94.846","0.002","90","","4695","0.5","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 Eu O9 -","- C15 H12 Br6 Eu O9 -","- C120 H96 Br48 Eu8 O72 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0338","0.0237","","","0.047","0.0496","","","","","","1.031","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710031","11.634","0.006","18.038","0.008","21.569","0.012","90","","98.005","0.019","90","","4482","4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.7 H15.4 Br12 O17 Tb2 -","- C26.7 H15.4 Br12 O17 Tb2 -","- C106.8 H61.6 Br48 O68 Tb8 -","4","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0481","0.0322","","","0.0614","0.066","","","","","","1.062","","","","has coordinates,has disorder","274516","2022-04-13","23:00:57",""
"7710032","10.4965","0.0003","12.3708","0.0003","12.7873","0.0003","78.814","0.001","82.617","0.001","82.625","0.001","1606.23","0.07","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52.04 Br12 O32.04 Tb2 -","- C36 H52.04 Br12 O32.04 Tb2 -","- C36 H52.04 Br12 O32.04 Tb2 -","1","0.5","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","","0.71073","MoKα","","0.0374","0.0268","","","0.055","0.0586","","","","","","1.023","","","","has coordinates,has disorder","274516","2022-04-13","23:00:57",""
"7710033","20.14","0.003","10.537","0.0011","21.997","0.003","90","","94.896","0.005","90","","4651.1","1.1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 Dy O9 -","- C15 H12 Br6 Dy O9 -","- C120 H96 Br48 Dy8 O72 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0312","0.025","","","0.0541","0.0563","","","","","","1.056","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710034","10.3657","0.0007","12.6197","0.0008","16.2172","0.0009","77.345","0.002","72.943","0.002","68.733","0.002","1874.8","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br8 N2 O18 Pr2 -","- C20 H16 Br8 N2 O18 Pr2 -","- C40 H32 Br16 N4 O36 Pr4 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0416","0.0284","","","0.0565","0.0606","","","","","","1.047","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710035","20.281","0.003","10.5811","0.0016","22.039","0.004","90","","94.821","0.005","90","","4712.7","1.3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 O9 Sm -","- C15 H12 Br6 O9 Sm -","- C120 H96 Br48 O72 Sm8 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","","0.0378","0.0261","","","0.0499","0.0528","","","","","","1.062","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710036","10.3427","0.0012","12.6185","0.0016","16.2191","0.0018","77.419","0.004","72.879","0.004","68.729","0.005","1870.4","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Br8 N2 Nd2 O18 -","- C20 H16 Br8 N2 Nd2 O18 -","- C40 H32 Br16 N4 Nd4 O36 -","2","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0467","0.0358","","","0.0915","0.0967","","","","","","1.039","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710037","20.39","0.0004","10.6244","0.0002","22.1112","0.0005","90","","94.893","0.001","90","","4772.53","0.17","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Br6 Nd O9 -","- C15 H12 Br6 Nd O9 -","- C120 H96 Br48 Nd8 O72 -","8","1","","Jiajaroen, Suwadee; Dungkeaw, Winya; Kielar, Filip; Sukwattanasinitt, Mongkol; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Azam, Mohammad; Al-Resayes, Saud I; Chainok, Kittipong","Four series of lanthanide coordination polymers based on the tetrabromobenzene-1,4-dicarboxylate ligand: structural diversity and multifunctional properties","Dalton Transactions","2022","","","","","10.1039/D2DT00007E","","x-ray","0.71073","MoKα","K-L~3~","0.0249","0.0211","","","0.045","0.046","","","","","","1.122","","","","has coordinates","274516","2022-04-13","23:00:57",""
"7710038","12.6227","0.0005","13.5467","0.0005","23.6777","0.0011","100.264","0.002","98.186","0.002","102.18","0.002","3825.5","0.3","120","2","119.99","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 Dy I3 O12 P5 -","- C72 H88 Dy I3 O12 P5 -","- C144 H176 Dy2 I6 O24 P10 -","2","1","","Qu, Yun-Xia; Ruan, Ze-Yu; Lyu, Bang-Heng; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Tong, Ming-Liang","Opening Magnetic Hysteresis via Improving Planarity of Equatorial Coordination by Hydrogen Bonding","Dalton Transactions","2022","","","","","10.1039/D2DT01107G","","x-ray","0.71073","MoKα","","0.0319","0.0219","","","0.0429","0.0455","","","","","","1.023","","","","has coordinates","274517","2022-04-13","23:03:06",""
"7710039","10.2644","0.0005","23.3768","0.0011","15.1012","0.0007","90","","103.623","0.002","90","","3521.6","0.3","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 H72 Dy I3 O10 P4 -","- C65 H72 Dy I3 O10 P4 -","- C130 H144 Dy2 I6 O20 P8 -","2","1","","Qu, Yun-Xia; Ruan, Ze-Yu; Lyu, Bang-Heng; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Tong, Ming-Liang","Opening Magnetic Hysteresis via Improving Planarity of Equatorial Coordination by Hydrogen Bonding","Dalton Transactions","2022","","","","","10.1039/D2DT01107G","","","0.71073","MoKα","","0.0257","0.0242","","","0.0591","0.0596","","","","","","1.043","","","","has coordinates,has disorder","274517","2022-04-13","23:03:07",""
"7710040","7.5097","0.0001","8.7581","0.0001","33.6683","0.0002","92.154","0.001","90.204","0.001","92.137","0.001","2211.26","0.04","296.8","0.8","296.8","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 Cl2 N6 Pt2 -","- C45 H48 Cl2 N6 Pt2 -","- C90 H96 Cl4 N12 Pt4 -","2","1","","Kashina, Maria V.; Luzyanin, Konstantin V.; Katlenok, Eugene A.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Experimental and computational tuning of metalla-N-heterocyclic carbenes at palladium(ii) and platinum(ii) centers","Dalton Transactions","2022","","","","","10.1039/D2DT00252C","","x-ray","1.54184","CuKα","","0.0362","0.0344","","","0.0805","0.0815","","","","","","1.088","","","","has coordinates","274518","2022-04-13","23:03:57",""
"7710041","8.2035","0.0002","30.9219","0.0008","18.7259","0.0005","90","","98.347","0.003","90","","4699.8","0.2","297.2","0.2","297.2","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N9 Pd2 S2 -","- C46 H47 N9 Pd2 S2 -","- C184 H188 N36 Pd8 S8 -","4","1","","Kashina, Maria V.; Luzyanin, Konstantin V.; Katlenok, Eugene A.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Experimental and computational tuning of metalla-N-heterocyclic carbenes at palladium(ii) and platinum(ii) centers","Dalton Transactions","2022","","","","","10.1039/D2DT00252C","","x-ray","1.54184","CuKα","","0.0413","0.0359","","","0.0935","0.0968","","","","","","1.042","","","","has coordinates","274518","2022-04-13","23:03:58",""
"7710042","8.0854","0.0001","30.3986","0.0003","18.7295","0.0002","90","","97.886","0.001","90","","4559.89","0.09","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N9 Pt2 S2 -","- C46 H47 N9 Pt2 S2 -","- C184 H188 N36 Pt8 S8 -","4","1","","Kashina, Maria V.; Luzyanin, Konstantin V.; Katlenok, Eugene A.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Experimental and computational tuning of metalla-N-heterocyclic carbenes at palladium(ii) and platinum(ii) centers","Dalton Transactions","2022","","","","","10.1039/D2DT00252C","","x-ray","1.54184","CuKα","","0.0218","0.0212","","","0.0493","0.0498","","","","","","1.063","","","","has coordinates","274518","2022-04-13","23:03:58",""
"7710043","25.5005","0.0007","10.5126","0.0002","29.3823","0.0007","90","","113.808","0.003","90","","7206.4","0.3","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H38 Cl2 F6 N2 O6 S2 Si3 -","- C23 H38 Cl2 F6 N2 O6 S2 Si3 -","- C184 H304 Cl16 F48 N16 O48 S16 Si24 -","8","1","","Schäfer, Fabian; Mix, Andreas; Cati, Ninive; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Host guest chemistry of a bidentate silyl-triflate bis-Lewis-acid – complex complexation behaviour unravelled by diffusion NMR spectroscopy","Dalton Transactions","2022","","","","","10.1039/D2DT00583B","","x-ray","1.54184","CuKα","","0.0677","0.0615","","","0.1638","0.1691","","","","","","1.093","","","","has coordinates,has disorder","274536","2022-04-14","22:58:14",""
"7710044","12.5131","0.0007","13.0673","0.0006","13.5178","0.0006","115.737","0.004","101.219","0.004","107.63","0.004","1755.3","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H77 F12 N7 O12 S4 Si6 -","- C50 H77 F12 N7 O12 S4 Si6 -","- C50 H77 F12 N7 O12 S4 Si6 -","1","0.5","","Schäfer, Fabian; Mix, Andreas; Cati, Ninive; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Host guest chemistry of a bidentate silyl-triflate bis-Lewis-acid – complex complexation behaviour unravelled by diffusion NMR spectroscopy","Dalton Transactions","2022","","","","","10.1039/D2DT00583B","","x-ray","1.54184","CuKα","","0.0792","0.059","","","0.1638","0.1768","","","","","","1.056","","","","has coordinates,has disorder","274536","2022-04-14","22:58:15",""
"7710045","9.6383","0.0018","18.849","0.004","17.787","0.003","90","","94.025","0.004","90","","3223.4","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Iridium Bis-Terpyridine Iodide","","","- C30 H26 I3 Ir N6 O2 -","- C30 H26 I3 Ir N6 O2 -","- C120 H104 I12 Ir4 N24 O8 -","4","1","","Hattori, Shingo; Kondo, Mio; Sekine, Akiko; Shinozaki, Kazuteru","Vapochromism of iridium(III) bis-terpyridine complex based on modulation of halide-to-ligand charge transfer transition","Dalton Transactions","2022","","","","","10.1039/D2DT00368F","","x-ray","0.71075","MoKα","","0.1342","0.0946","","","0.2322","0.2693","","","","","","1.037","","","","has coordinates","274537","2022-04-14","22:58:39",""
"7710046","7.308","0.0019","9.042","0.002","13.221","0.003","88.662","0.006","82.64","0.005","86.314","0.006","864.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 Cl N4 O4 Pd S -","- C14 H17 Cl N4 O4 Pd S -","- C28 H34 Cl2 N8 O8 Pd2 S2 -","2","1","","Dharani, S.; Kalaiarasi, G.; Ravi, M.; Sathan Raj, N.; Lynch, Vincent M.; Prabhakaran, R.","Diosgenin derivatives developed from Pd(ii) catalysed dehydrogenative coupling exert an effect on breast cancer cells by abrogating their growth and facilitating apoptosis via regulating the AKT1 pathway","Dalton Transactions","2022","","","","","10.1039/D2DT00514J","","","0.71073","MoKα","","0.0334","0.028","","","0.0627","0.0657","","","","","","1.026","","","","has coordinates,has disorder","274538","2022-04-14","22:59:00",""
"7710047","8.1149","0.001","9.9608","0.0011","12.9882","0.0016","73.834","0.004","74.958","0.004","66.433","0.004","911.04","0.19","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","lithium diisopropyl indenide dimethoxyethan adduct","","- C19 H29 Li O2 -","- C19 H29 Li O2 -","- C38 H58 Li2 O4 -","2","1","","Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André","Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00582d","","","0.71073","MoKα","","0.0796","0.0587","","","0.1505","0.1645","","","","","","1.068","","","","has coordinates","274558","2022-04-15","22:49:45",""
"7710048","11.6172","0.0002","15.965","0.0003","17.7264","0.0004","90","","103.59","0.001","90","","3195.64","0.11","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium di-tert-butyl indenide tris(dimethoxyethane) adduct","","- C29 H53 Na O6 -","- C29 H53 Na O6 -","- C116 H212 Na4 O24 -","4","1","","Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André","Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00582d","","","0.71073","MoKα","","0.0581","0.0409","","","0.095","0.1059","","","","","","1.033","","","","has coordinates","274558","2022-04-15","22:49:46",""
"7710049","10.979","0.003","14.731","0.004","18.973","0.004","90","","107.306","0.008","90","","2929.6","1.3","148","2","148","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(di-tert-butylindenyl)germanocene","","- C34 H46 Ge -","- C34 H46 Ge -","- C136 H184 Ge4 -","4","1","","Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André","Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00582d","","","0.71073","MoKα","","0.0334","0.0262","","","0.0624","0.0662","","","","","","1.027","","","","has coordinates","274558","2022-04-15","22:49:46",""
"7710050","11.1603","0.0004","14.9272","0.0005","18.8917","0.0007","90","","106.198","0.001","90","","3022.27","0.19","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(di-tert-butylindenyl)plumbocene","","- C34 H46 Pb -","- C34 H46 Pb -","- C136 H184 Pb4 -","4","1","","Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André","Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00582d","","","0.71073","MoKα","","0.029","0.019","","","0.0377","0.0408","","","","","","1.065","","","","has coordinates","274558","2022-04-15","22:49:47",""
"7710051","11.0857","0.0003","14.8512","0.0004","18.8414","0.0005","90","","105.571","0.001","90","","2988.12","0.14","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","bis(di-tert-butylindenyl)stannocene","","- C34 H46 Sn -","- C34 H46 Sn -","- C136 H184 Sn4 -","4","1","","Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André","Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00582d","","","0.71073","MoKα","","0.0332","0.0236","","","0.0488","0.0527","","","","","","1.036","","","","has coordinates","274558","2022-04-15","22:49:47",""
"7710052","4.8578","0.0003","10.6581","0.0006","12.0302","0.0011","90","","92.676","0.004","90","","622.18","0.08","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 S4 -","- C10 H18 S4 -","- C20 H36 S8 -","2","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0255","0.0215","","","0.0544","0.0566","","","","","","1.056","","","","has coordinates","274588","2022-04-19","23:10:17",""
"7710053","6.0654","0.0002","8.2884","0.0003","8.4381","0.0003","88.411","0.002","87.976","0.002","86.729","0.002","423.11","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cu2 I2 S4 -","- C10 H18 Cu2 I2 S4 -","- C10 H18 Cu2 I2 S4 -","1","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0328","0.0257","","","0.0559","0.0592","","","","","","1.108","","","","has coordinates","274588","2022-04-19","23:10:17",""
"7710054","9.3903","0.0003","9.8817","0.0003","10.0545","0.0003","68.87","0.001","79.675","0.001","86.657","0.001","856.14","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Hg I2 S4 -","- C10 H18 Hg I2 S4 -","- C20 H36 Hg2 I4 S8 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0244","0.0242","","","0.059","0.0591","","","","","","1.19","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710055","12.9413","0.0015","13.0872","0.0011","14.5879","0.0017","90","","115.754","0.005","90","","2225.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 Br2 Cu2 S6 -","- C15 H27 Br2 Cu2 S6 -","- C60 H108 Br8 Cu8 S24 -","4","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0543","0.0346","","","0.0596","0.0665","","","","","","1.047","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710056","8.2012","0.0003","13.2979","0.0005","18.6993","0.0007","90","","93.184","0.001","90","","2036.17","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Br2 Hg S2 -","- C5 H9 Br2 Hg S2 -","- C40 H72 Br16 Hg8 S16 -","8","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0231","0.0214","","","0.0614","0.0621","","","","","","1.096","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710057","18.3202","0.0009","6.7228","0.0003","6.1576","0.0003","90","","100.814","0.002","90","","744.92","0.06","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H9 Cl Cu S2 -","- C5 H9 Cl Cu S2 -","- C20 H36 Cl4 Cu4 S8 -","4","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0478","0.0395","","","0.087","0.0908","","","","","","1.279","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710058","8.2203","0.0003","22.7657","0.0009","4.4494","0.0002","90","","90","","90","","832.66","0.06","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Br2 Hg S4 -","- C10 H20 Br2 Hg S4 -","- C20 H40 Br4 Hg2 S8 -","2","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0326","0.0334","","","","","","1.139","","","","has coordinates,has disorder","274588","2022-04-19","23:10:18",""
"7710059","9.7812","0.0008","10.036","0.001","11.6356","0.001","90","","90.63","0.003","90","","1142.13","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Hg2 I4 S4 -","- C10 H20 Hg2 I4 S4 -","- C20 H40 Hg4 I8 S8 -","2","0.5","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0199","0.0198","","","0.0453","0.0454","","","","","","1.169","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710060","7.8786","0.0004","9.8046","0.0005","26.8573","0.0015","87.562","0.002","83.924","0.002","87.249","0.002","2059.14","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Br6 Cu6 N2 S8 -","- C24 H42 Br6 Cu6 N2 S8 -","- C48 H84 Br12 Cu12 N4 S16 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0356","0.0279","","","0.0686","0.0714","","","","","","1.021","","","","has coordinates","274588","2022-04-19","23:10:18",""
"7710061","7.8928","0.0011","9.8456","0.0014","26.928","0.004","87.555","0.002","84.017","0.002","87.229","0.002","2077.2","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Br6 Cu6 N2 S8 -","- C24 H42 Br6 Cu6 N2 S8 -","- C48 H84 Br12 Cu12 N4 S16 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0369","0.0276","","","0.0683","0.0715","","","","","","1","","","","has coordinates","274588","2022-04-19","23:10:19",""
"7710062","18.1737","0.001","4.5256","0.0002","19.0929","0.001","90","","90","","90","","1570.33","0.14","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H18 Br2 Hg S4 -","- C10 H18 Br2 Hg S4 -","- C40 H72 Br8 Hg4 S16 -","4","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0204","0.0182","","","0.0441","0.0451","","","","","","1.066","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710063","8.1301","0.0012","13.8417","0.0014","14.591","0.002","90","","95.315","0.007","90","","1634.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Br2 Cu2 S4 -","- C10 H18 Br2 Cu2 S4 -","- C40 H72 Br8 Cu8 S16 -","4","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0351","0.0303","","","0.0721","0.074","","","","","","1.088","","","","has coordinates","274588","2022-04-19","23:10:19",""
"7710064","14.1565","0.0012","15.7413","0.0013","4.526","0.0003","90","","90","","90","","1008.58","0.14","100","","100","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C10 H20 Br4 Hg2 S4 -","- C10 H20 Br4 Hg2 S4 -","- C20 H40 Br8 Hg4 S8 -","2","0.25","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","","0.71073","MoKα","","0.0196","0.0176","","","0.0385","0.0397","","","","","","0.969","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710065","18.4505","0.0006","18.2209","0.0005","19.1191","0.0007","90","","110.044","0.001","90","","6038.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H72 Cu4 I4 S16 -","- C40 H72 Cu4 I4 S16 -","- C160 H288 Cu16 I16 S64 -","4","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0253","0.0205","","","0.0449","0.0478","","","","","","1.082","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710066","6.6244","0.0019","7.837","0.003","11.23","0.004","83.032","0.011","73.216","0.01","75.644","0.012","540","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 Cu2 I2 S2 -","- C5 H9 Cu2 I2 S2 -","- C10 H18 Cu4 I4 S4 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0285","0.0269","","","0.0753","0.0767","","","","","","1.085","","","","has coordinates","274588","2022-04-19","23:10:19",""
"7710067","10.1654","0.0012","12.582","0.002","13.033","0.002","67.07","0.007","69.373","0.005","76.469","0.006","1427.7","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H30 Br2 Cu Hg I N S6 -","- C17 H30 Br1.997 Cu Hg I1.003 N S6 -","- C34 H60 Br3.994 Cu2 Hg2 I2.006 N2 S12 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.0316","0.0229","","","0.0354","0.0377","","","","","","1.098","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710068","8.3763","0.0008","9.3131","0.0008","14.2531","0.0009","94.414","0.004","102.209","0.004","113.075","0.004","983.86","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H15 Cu Hg I3 N2 S2 -","- C9 H15 Cu Hg I3 N2 S2 -","- C18 H30 Cu2 Hg2 I6 N4 S4 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","","0.71073","MoKα","","0.0199","0.0194","","","0.052","0.0529","","","","","","1.145","","","","has coordinates","274588","2022-04-19","23:10:19",""
"7710069","9.8483","0.0008","14.9259","0.0016","15.2501","0.0013","108.914","0.003","95.043","0.005","94.515","0.003","2098.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 Cu2 Hg2 I6 N4 S4 -","- C22 H38 Cu2 Hg2 I6 N4 S4 -","- C44 H76 Cu4 Hg4 I12 N8 S8 -","2","1","","Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten","2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures","Dalton Transactions","2022","","","","","10.1039/D2DT00800A","","x-ray","0.71073","MoKα","","0.016","0.0153","","","0.0366","0.037","","","","","","1.115","","","","has coordinates,has disorder","274588","2022-04-19","23:10:19",""
"7710070","8.0852","0.0002","15.3528","0.0005","12.8314","0.0004","90","","90.232","0.002","90","","1592.75","0.08","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cu Li N4 O3 Se4 -","- C8 H10 Cu Li N4 O3 Se4 -","- C32 H40 Cu4 Li4 N16 O12 Se16 -","4","1","","Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John","Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+","Dalton Transactions","2022","","","","","10.1039/D2DT00890D","","","0.71073","MoKα","","0.0321","0.028","","","0.0683","0.0699","","","","","","1.093","","","","has coordinates","274589","2022-04-19","23:12:49",""
"7710071","13.62","0.003","12.11","0.002","21.411","0.004","90","","104.79","0.03","90","","3414.5","1.2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H31 B Cl F4 N3 O P Re -","- C36.5 H31 B Cl F4 N3 O P Re -","- C146 H124 B4 Cl4 F16 N12 O4 P4 Re4 -","4","1","","Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John","Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+","Dalton Transactions","2022","","","","","10.1039/D2DT00890D","","","0.71073","Mo-Ka","","0.0372","0.0275","","","0.0588","0.0622","","","","","","1.015","","","","has coordinates","274589","2022-04-19","23:12:51",""
"7710072","10.592","","10.592","","10.592","","90","","90","","90","","1188.32","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Gadolinium Thorium Zirconium Aluminium Oxide (1.85/0.15/1.85/0.15/7)","","- Al0.15 Gd1.85 O7 Th0.15 Zr1.85 -","- Al2 Gd2 O7 Th2 Zr2 -","- Al16 Gd16 O56 Th16 Zr16 -","8","0.0416667","","Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John","Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+","Dalton Transactions","2022","","","","","10.1039/D2DT00890D","","","","","","","","","","","","","","","","","","","","","has coordinates","274589","2022-04-19","23:12:51",""
"7710073","10.4775","0.0002","18.2342","0.0005","34.1669","0.0007","90","","90","","90","","6527.5","0.3","173","2","173.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H31 Cl2 N3 O P Re -","- C37 H31 Cl2 N3 O P Re -","- C296 H248 Cl16 N24 O8 P8 Re8 -","8","1","","Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John","Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+","Dalton Transactions","2022","","","","","10.1039/D2DT00890D","","","0.71073","MoKα","","0.0999","0.0416","","","0.0671","0.0793","","","","","","0.973","","","","has coordinates","274589","2022-04-19","23:12:51",""
"7710074","12.494","0.0003","22.0708","0.0008","20.4806","0.0008","90","","91.562","0.002","90","","5645.5","0.3","109","2","109","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H28 N4 S -","- C38 H28 N4 S -","- C304 H224 N32 S8 -","8","1","","Sahoo, Sipra Sucharita; Sahoo, Sameeta; Panda, Pradeepta K.","Monothia [22]pentaphyrin(2.0.1.1.0): a core-modified isomer of sapphyrin","Dalton Transactions","2022","","","","","10.1039/D2DT00698G","","","0.71073","MoKα","","0.1337","0.0723","","","0.172","0.2162","","","","","","1.017","","","","has coordinates","274590","2022-04-19","23:17:28",""
"7710075","7.9019","0.0002","22.3765","0.0006","9.7921","0.0004","90","","102.071","0.003","90","","1693.13","0.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H30 Cl4 N4 Pd S -","- C39 H30 Cl4 N4 Pd S -","- C78 H60 Cl8 N8 Pd2 S2 -","2","0.5","","Sahoo, Sipra Sucharita; Sahoo, Sameeta; Panda, Pradeepta K.","Monothia [22]pentaphyrin(2.0.1.1.0): a core-modified isomer of sapphyrin","Dalton Transactions","2022","","","","","10.1039/D2DT00698G","","","0.71073","MoKα","","0.0548","0.0432","","","0.1044","0.1124","","","","","","1.081","","","","has coordinates","274590","2022-04-19","23:17:29",""
"7710076","35.8807","0.0016","5.4904","0.0002","5.4314","0.0002","90","","94.076","0.001","90","","1067.28","0.07","300","","300","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cd Cl4 N2 -","- C18 H28 Cd Cl4 N2 -","- C36 H56 Cd2 Cl8 N4 -","2","0.5","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","","0.71073","MoKα","","0.0138","0.0137","","","0.0338","0.0338","","","","","","1.084","","","","has coordinates","274591","2022-04-19","23:20:51",""
"7710077","35.9424","0.0011","5.5098","0.0002","5.4475","0.0002","90","","94","0.003","90","","1076.17","0.06","298.98","0.12","298.98","0.12","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cd Cl4 N2 -","- C18 H28 Cd Cl4 N2 -","- C36 H56 Cd2 Cl8 N4 -","2","0.5","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","x-ray","0.71073","MoKα","","0.0225","0.0224","","","0.054","0.054","","","","","","1.052","","","","has coordinates","274591","2022-04-19","23:20:52",""
"7710078","7.7844","0.0001","7.8052","0.0001","18.2463","0.0002","94.189","0.001","97.931","0.001","90.917","0.001","1094.7","0.02","360","0.4","360","2","","","","","","","","5","P 1","P 1","1","","1","","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","1","1","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","","0.71073","MoKα","","0.0434","0.0327","","","0.0774","0.0819","","","","","","1.069","","","","has coordinates","274591","2022-04-19","23:20:52",""
"7710079","7.7817","0.0001","7.7972","0.0001","18.2458","0.0003","94.151","0.001","97.976","0.001","90.842","0.001","1093.14","0.03","360","","360","","","","","","","","","5","P 1","P 1","1","","","","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","- C36 H56 Cd2 Cl8 N4 -","1","1","","Li, Yu-Kong; Ying, Ting-Ting; Zhang, Hao; Tan, Yu-Hui; Tang, Yun-Zhi; Wang, Fang-Xin; Wan, Ming-Yang","Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization","Dalton Transactions","2022","","","","","10.1039/D2DT00592A","","","0.71073","MoKα","","0.0425","0.0329","","","0.0794","0.0838","","","","","","1.069","","","","has coordinates,has disorder","274591","2022-04-19","23:20:52",""
"7710080","13.1468","0.0005","12.2571","0.0005","19.3695","0.0007","90","","101.993","0.002","90","","3053.1","0.2","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-bis(2,6-diisopropylphenyl)-2-((1,3-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene)phosphaneyl)-2,3-dihydro-1H-1,3,2-diazaborole","","- C31 H44 B N4 P -","- C31 H44 B N4 P -","- C124 H176 B4 N16 P4 -","4","1","","Cicač-Hudi, Mario; Kaaz, Manuel; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich","A neutral analogue of a phosphamethine cyanine","Dalton Transactions","2022","","","","","10.1039/D2DT00837H","","","0.71073","MoKα","","0.1251","0.0674","","","0.1538","0.1849","","","","","","1.026","","","","has coordinates,has disorder","274592","2022-04-19","23:21:16",""
"7710081","10.294","0.008","11.66","0.01","12.419","0.011","84.959","0.017","68.147","0.007","87.188","0.014","1378","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H47 Au B2 Cl N2 P -","- C22 H47 Au B2 Cl N2 P -","- C44 H94 Au2 B4 Cl2 N4 P2 -","2","1","","Kimura, Yoshitaka; Lugo-Fuentes, Leonardo I.; Saito, Souta; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Yamamoto, Yohsuke; Nakamoto, Masaaki; Shang, Rong","Boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex","Dalton Transactions","2022","","","","","10.1039/D2DT01083F","","","0.71073","MoKα","","0.0168","0.016","","","0.0384","0.0386","","","","","","1.093","","","","has coordinates","274593","2022-04-19","23:22:11",""
"7710082","10.469","0.007","11.938","0.008","14.578","0.01","83.771","0.014","81.751","0.005","72.088","0.015","1712","2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C26.5 H51 Au B2 F3 N2 O3 P S -","- C26.5 H51 Au B2 F3 N2 O3 P S -","- C53 H102 Au2 B4 F6 N4 O6 P2 S2 -","2","1","","Kimura, Yoshitaka; Lugo-Fuentes, Leonardo I.; Saito, Souta; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Yamamoto, Yohsuke; Nakamoto, Masaaki; Shang, Rong","Boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex","Dalton Transactions","2022","","","","","10.1039/D2DT01083F","","","0.71073","MoKα","","0.0266","0.0219","","","0.0495","0.0506","","","","","","1.039","","","","has coordinates,has disorder","274593","2022-04-19","23:22:13",""
"7710083","11.464","0.01","18.202","0.018","16.405","0.016","90","","103.72","0.005","90","","3326","5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 Au B2 Li N2 O2 P -","- C26 H57 Au B2 Li N2 O2 P -","- C104 H228 Au4 B8 Li4 N8 O8 P4 -","4","1","","Kimura, Yoshitaka; Lugo-Fuentes, Leonardo I.; Saito, Souta; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Yamamoto, Yohsuke; Nakamoto, Masaaki; Shang, Rong","Boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex","Dalton Transactions","2022","","","","","10.1039/D2DT01083F","","","0.71073","MoKα","","0.0518","0.0297","","","0.0542","0.0594","","","","","","1.006","","","","has coordinates","274593","2022-04-19","23:22:13",""
"7710084","10.461","0.005","10.965","0.006","12.083","0.006","83.701","0.007","89.22","0.008","75.206","0.006","1331.8","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H45 Au B2 Cl N2 P -","- C20 H45 Au B2 Cl N2 P -","- C40 H90 Au2 B4 Cl2 N4 P2 -","2","1","","Kimura, Yoshitaka; Lugo-Fuentes, Leonardo I.; Saito, Souta; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Yamamoto, Yohsuke; Nakamoto, Masaaki; Shang, Rong","Boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex","Dalton Transactions","2022","","","","","10.1039/D2DT01083F","","","0.71073","MoKα","","0.1141","0.0636","","","0.1186","0.1388","","","","","","0.949","","","","has coordinates","274593","2022-04-19","23:22:13",""
"7710085","20.261","0.002","21.251","0.002","17.3423","0.0017","90","","125.712","0.002","90","","6062.9","1","123","","123","","","","","","","","see text","7","C 1 2/m 1","-C 2y","12","","","","- C88 H52 B3 F12 N8 O8 Pd2 -","- C88 H52 B3 F12 N8 O8 Pd2 -","- C176 H104 B6 F24 N16 O16 Pd4 -","2","0.25","","Aikman, Brech; Bonsignore, Riccardo; Woods, Ben; Doellerer, Daniel; Scotti, Riccardo; Schmidt, Claudia; Heidecker, Alexandra; Pöthig, Alexander; Sayers, Edward J.; Jones, Arwyn T.; Casini, Angela","Highly-Fluorescent BODIPY-functionalised Metallacages as Drug Delivery Systems: Synthesis, Characterisation and Cellular Accumulation Studies","Dalton Transactions","2022","","","","","10.1039/D2DT00337F","","x-ray","0.71073","MoKα","","0.0564","0.0496","","","0.1454","0.1532","","","","","","1.111","","","","has coordinates,has disorder","274594","2022-04-19","23:22:51",""
"7710086","17.5892","0.0002","17.5892","0.0002","17.5892","0.0002","90","","90","","90","","5441.75","0.11","155","2","155","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C26 H35 Cl3 Co N P -","- C25.9992 H34.998 Cl3 Co N P -","- C207.994 H279.984 Cl24 Co8 N8 P8 -","8","0.333333","","Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling","Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00121G","","","0.71073","MoKα","","0.074","0.06","","","0.1565","0.17","","","","","","1.064","","","","has coordinates,has disorder","274595","2022-04-19","23:23:43",""
"7710087","17.8695","0.0001","17.8695","0.0001","17.8695","0.0001","90","","90","","90","","5706.07","0.06","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C26 H35 Br3 Co N P -","- C25.9992 H34.998 Br3 Co N P -","- C207.994 H279.984 Br24 Co8 N8 P8 -","8","0.333333","","Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-tai; Wang, Zhenxing; Ouyang, Zhongwen; Xue, Zi-Ling","Magnetic anisotropy of two tetrahedral Co(II)-halide complexes with triphenylphosphine ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00121G","","","0.71073","MoKα","","0.0946","0.075","","","0.1755","0.1889","","","","","","1.094","","","","has coordinates,has disorder","274595","2022-04-19","23:23:44",""
"7710088","11.7796","0.0007","12.0345","0.0007","12.9612","0.0008","63.333","0.006","70.416","0.006","76.745","0.005","1540.17","0.18","160","1","160","1","","","","","","","","9","P -1","-P 1","2","","","","- C58 H52 B2 Br2 Cl2 F8 N8 O7 Ru2 -","- C54 H40 B2 Br2 Cl2 F8 N8 O5 Ru2 -","- C54 H40 B2 Br2 Cl2 F8 N8 O5 Ru2 -","1","0.5","","Taghizadeh Shool, Maryam; Amiri Rudbari, Hadi; Gil-Antón, Tania Gil-Antón; Cuevas-Vicario, José Vicente; Garcia, Begona; Busto, Natalia; Moini, Nakisa; Blacque, Olivier","The effect of halogenation of salicylaldehyde on antiproliferative activities of {∆/Λ-[Ru(bpy)2(X,Y-sal)]BF4} complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00401A","","x-ray","1.54184","CuKα","","0.096","0.0583","","","0.143","0.1635","","","","","","1.039","","","","has coordinates,has disorder","274610","2022-04-20","22:57:35",""
"7710089","10.508","0.002","12.625","0.003","13.078","0.003","108.15","0.03","107.82","0.03","94.36","0.03","1541.1","0.8","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H42 B2 Br2 F8 N8 O5 Ru2 -","- C54 H40 B2 Br2 F8 N8 O5 Ru2 -","- C54 H40 B2 Br2 F8 N8 O5 Ru2 -","1","0.5","","Taghizadeh Shool, Maryam; Amiri Rudbari, Hadi; Gil-Antón, Tania Gil-Antón; Cuevas-Vicario, José Vicente; Garcia, Begona; Busto, Natalia; Moini, Nakisa; Blacque, Olivier","The effect of halogenation of salicylaldehyde on antiproliferative activities of {∆/Λ-[Ru(bpy)2(X,Y-sal)]BF4} complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00401A","","","0.71073","MoKα","","0.0836","0.0555","","","0.1611","0.1795","","","","","","0.978","","","","has coordinates","274610","2022-04-20","22:57:35",""
"7710090","16.3228","0.0003","16.3228","0.0003","32.3748","0.0009","90","","90","","120","","7470.1","0.3","160","1","160","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H112 Fe N18 O8 Ru2 -","- C102 H112 Fe N18 O8 Ru2 -","- C306 H335.999 Fe3 N54 O24 Ru6 -","3","0.166667","","Mosallaei, Hamta; Hadadzadeh, Hassan; Foelske, Annette; Sauer, Markus; Amiri Rudbari, Hadi; Blacque, Olivier","[Ru(tmphen)<sub>3</sub>]<sub>2</sub>[Fe(CN)<sub>6</sub>] and [Ru(phen)<sub>3</sub>][Fe(CN)<sub>5</sub>(NO)] complexes and formation of a heterostructured RuO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> nanocomposite as an efficient alkaline HER and OER electrocatalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","16","6314","6331","10.1039/d2dt00398h","","x-ray","1.54184","CuKα","","0.0591","0.0555","","","0.1629","0.1663","","","","","","1.099","","","","has coordinates,has disorder","274611","2022-04-20","22:58:22",""
"7710091","9.9913","0.0001","19.6017","0.0002","19.5329","0.0002","90","","100.772","0.001","90","","3758.04","0.07","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H58 Fe2 N24 O7 Ru2 -","- C82 H58 Fe2 N24 O7 Ru2 -","- C164 H116 Fe4 N48 O14 Ru4 -","2","0.5","","Mosallaei, Hamta; Hadadzadeh, Hassan; Foelske, Annette; Sauer, Markus; Amiri Rudbari, Hadi; Blacque, Olivier","[Ru(tmphen)<sub>3</sub>]<sub>2</sub>[Fe(CN)<sub>6</sub>] and [Ru(phen)<sub>3</sub>][Fe(CN)<sub>5</sub>(NO)] complexes and formation of a heterostructured RuO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> nanocomposite as an efficient alkaline HER and OER electrocatalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","16","6314","6331","10.1039/d2dt00398h","","x-ray","1.54184","CuKα","","0.0247","0.0227","","","0.059","0.0603","","","","","","1.042","","","","has coordinates,has disorder","274611","2022-04-20","22:58:22",""
"7710092","6.6754","0.0018","17.359","0.0017","13.1833","0.0016","90","","99.757","0.014","90","","1505.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 As N4 Se3 V -","- C6 H20 As N4 Se3 V -","- C24 H80 As4 N16 Se12 V4 -","4","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0849","0.04","","","0.0623","0.0769","","","","","","1.049","","","","has coordinates,has disorder","274612","2022-04-20","22:59:31",""
"7710093","10.2625","0.0005","8.8483","0.0004","13.4116","0.0005","90","","94.526","0.004","90","","1214.05","0.09","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 As N4 S3 V -","- C4 H16 As N4 S3 V -","- C16 H64 As4 N16 S12 V4 -","4","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0375","0.0303","","","0.0655","0.0702","","","","","","1.072","","","","has coordinates","274612","2022-04-20","22:59:32",""
"7710094","13.8766","0.0019","13.4769","0.0018","14.6208","0.0019","90","","90","","90","","2734.3","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 As N4 S3 V -","- C6 H18 As N4 S3 V -","- C48 H144 As8 N32 S24 V8 -","8","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0557","0.0356","","","0.0959","0.1075","","","","","","1.016","","","","has coordinates,has disorder","274612","2022-04-20","22:59:32",""
"7710095","13.631","0.011","13.926","0.013","15.083","0.014","90","","90","","90","","2863","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 As N4 Se3 V -","- C6 H18 As N4 Se3 V -","- C48 H144 As8 N32 Se24 V8 -","8","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0989","0.0602","","","0.1322","0.1631","","","","","","1.053","","","","has coordinates,has disorder","274612","2022-04-20","22:59:32",""
"7710096","9.166","0.004","9.983","0.007","10.47","0.007","105.82","0.03","107.08","0.05","111.27","0.03","772.2","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H48 As2 N12 O Se5 V2 -","- C12 H48 As2 N12 O Se5 V2 -","- C12 H48 As2 N12 O Se5 V2 -","1","0.5","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.043","0.0281","","","0.0523","0.0563","","","","","","1.05","","","","has coordinates,has disorder","274612","2022-04-20","22:59:32",""
"7710097","10.3748","0.0009","17.9448","0.0016","11.0393","0.001","90","","114.776","0.003","90","","1866.1","0.3","106","","106","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H12 N36 O Zn4 -","- C6 H12 N36 O Zn4 -","- C12 H24 N72 O2 Zn8 -","2","0.25","","Tan, Bo-Jun; Ren, Jia-Tong; Duan, Bing-Hui; Xu, Ming-Hui; Chen, Shao-Li; Zhang, Heng; Liu, Ning","Facile synthesis and superior properties of a nitrogen-rich energetic Zn-MOF with a 2D azide-bridged bilayer structure","Dalton Transactions","2022","","","","","10.1039/D2DT00789D","","","1.34138","GaKα","","0.0648","0.0629","","","0.177","0.1783","","","","","","1.1","","","","has coordinates","274613","2022-04-20","23:00:26",""
"7710098","19.2033","0.0008","9.4433","0.0003","21.9208","0.001","90","","107.168","0.003","90","","3798.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 N2 P5 W -","- C39 H53 N2 P5 W -","- C156 H212 N8 P20 W4 -","4","1","","Junge, Jannik; Froitzheim, Sven; Engesser, Tobias A.; Krahmer, Jan; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix","Tungsten and molybdenum dinitrogen complexes supported by a pentadentate tetrapodal phosphine ligand: comparative spectroscopic, electrochemical and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2022","51","16","6166","6176","10.1039/d1dt04212b","","","0.71073","MoKα","","0.0402","0.0365","","","0.0899","0.0921","","","","","","1.076","","","","has coordinates","274614","2022-04-20","23:00:53",""
"7710099","6.919","0.0001","8.1308","0.0001","13.4122","0.0002","82.284","0.001","84.268","0.001","77.219","0.001","727.248","0.018","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 F2 N2 -","- C19 H12 F2 N2 -","- C38 H24 F4 N4 -","2","1","","Lehr, Marc; Neumann, Tjorge; Näther, Christian; McConnell, Anna J.","M-CPOnes: transition metal complexes with cyclopropenone-based ligands for light-triggered carbon monoxide release","Dalton Transactions","2022","","","","","10.1039/D2DT00835A","","x-ray","1.54184","CuKα","","0.0404","0.0388","","","0.1142","0.1156","","","","","","1.097","","","","has coordinates","274628","2022-04-21","22:53:59",""
"7710100","24.3679","0.0004","15.9691","0.0002","16.9507","0.0002","90","","90","","90","","6596.08","0.16","153.15","","153.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H6 B Cr3 K4 O66 W12 -","- C6 H6 B Cr3 K4 O66 W12 -","- C24 H24 B4 Cr12 K16 O264 W48 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.067","0.0637","","","0.1684","0.1709","","","","","","1.174","","","","has coordinates","274630","2022-04-21","22:55:03",""
"7710101","24.4216","0.0004","16.0494","0.0002","17.0259","0.0002","90","","90","","90","","6673.34","0.16","153.15","","153.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cr3 K4 Nb O66 Si W11 -","- C6 H6 Cr3 K4 Nb0.997 O66 Si W11.003 -","- C24 H24 Cr12 K16 Nb3.988 O264 Si4 W44.012 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.0737","0.0658","","","0.1732","0.18","","","","","","1.055","","","","has coordinates","274630","2022-04-21","22:55:08",""
"7710102","24.4565","0.0004","16.0527","0.0004","17.0555","0.0004","90","","90","","90","","6695.9","0.3","153.15","","153.15","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cr3 K4 O66 Si Ta W11 -","- C6 H6 Cr3 K4 O66 Si Ta0.9996 W11.0004 -","- C24 H24 Cr12 K16 O264 Si4 Ta3.9984 W44.0016 -","4","0.5","","Weng, Zhewei; Ogiwara, Naoki; Yokogawa, Daisuke; Kitao, Takashi; Kikukawa, Yuji; Uchida, Sayaka","Basicity of Isostructural Porous Ionic Crystals Composed of Nb/Ta-Substituted Keggin-Type Polyoxotungstates","Dalton Transactions","2022","","","","","10.1039/D2DT00478J","","x-ray","0.71073","MoKα","","0.1166","0.1052","","","0.2644","0.2751","","","","","","1.069","","","","has coordinates","274630","2022-04-21","22:55:08",""
"7710103","31.3566","0.0003","31.3566","0.0003","38.3643","0.0005","90","","90","","120","","32667.5","0.6","240","0.1","240","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H12 N4 Ni4 O21.33 -","- C32 H12 N4 Ni4 O21.3333 -","- C576 H216 N72 Ni72 O384 -","18","1","","Chen, Liuyong; Yang, Jun; Yang, Wenqian; Xian, Jiahui; Li, Guangqin","Nickel Metal-Organic Frameworks for Visible-Light CO2 Reduction under Mild Reaction Conditions","Dalton Transactions","2022","","","","","10.1039/D2DT01022D","","x-ray","1.54184","CuKα","","0.074","0.0679","","","0.2007","0.2068","","","","","","1.031","","","","has coordinates","274631","2022-04-21","22:56:06",""
"7710104","23.093","0.003","9.0864","0.0013","17.039","0.002","90","","107.176","0.002","90","","3415.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 P2 Si -","- C40 H40 N2 P2 Si -","- C160 H160 N8 P8 Si4 -","4","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Synthesis and reactivity of an iridium complex based on a tridentate aminophosphano ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00794K","","","0.71073","MoKα","","0.0517","0.0435","","","0.1332","0.138","","","","","","1.081","","","","has coordinates","274632","2022-04-21","22:57:07",""
"7710105","16.3517","0.001","11.6078","0.0007","28.904","0.0017","90","","93.881","0.001","90","","5473.6","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B Cl2 F6 Ir N4 P2 Si -","- C51 H62 B Cl2 F6 Ir N4 P2 Si -","- C204 H248 B4 Cl8 F24 Ir4 N16 P8 Si4 -","4","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Synthesis and reactivity of an iridium complex based on a tridentate aminophosphano ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00794K","","","0.71073","MoKα","","0.0282","0.0231","","","0.0498","0.0525","","","","","","1.03","","","","has coordinates,has disorder","274632","2022-04-21","22:57:15",""
"7710106","10.9615","0.0007","12.7205","0.0008","20.4705","0.0012","86.188","0.001","77.403","0.001","85.951","0.001","2774.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C107 H132 Cl2 F12 Ir2 N8 P6 Si2 -","- C107 H132 Cl2 F12 Ir2 N8 P6 Si2 -","- C107 H132 Cl2 F12 Ir2 N8 P6 Si2 -","1","0.5","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Synthesis and reactivity of an iridium complex based on a tridentate aminophosphano ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00794K","","","0.71073","MoKα","","0.0327","0.0293","","","0.0741","0.0762","","","","","","1.051","","","","has coordinates","274632","2022-04-21","22:57:15",""
"7710107","46.824","0.005","10.9773","0.0011","25.668","0.003","90","","121.193","0.001","90","","11286","2","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C212 H252 Cl4 F24 Ir4 N16 O3 P12 Si4 -","- C212 H252 Cl4 F24 Ir4 N16 O3 P12 Si4 -","- C424 H504 Cl8 F48 Ir8 N32 O6 P24 Si8 -","2","0.25","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Synthesis and reactivity of an iridium complex based on a tridentate aminophosphano ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00794K","","","0.71073","MoKα","","0.0515","0.0364","","","0.0738","0.0815","","","","","","1.053","","","","has coordinates,has disorder","274632","2022-04-21","22:57:15",""
"7710108","6.893","0.0005","11.886","0.001","19.745","0.0016","106.693","0.002","90.862","0.002","99.792","0.002","1523.5","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H53 Al Co2 Mo6 N8 O32 -","- C50 H53 Al Co2 Mo6 N8 O32 -","- C50 H53 Al Co2 Mo6 N8 O32 -","1","0.5","","Zhang, Yue; Wang, Xiang; Wang, Yue; Xu, Na; Wang, Xiu-Li","Cobalt complexes tuned by Anderson-type polyoxometalates and bis-amide derivative ligands featuring a ‘V’-like connector for efficient ampere sensing and the visible-light catalytic reduction of Cr(vi)","Dalton Transactions","2022","","","","","10.1039/D1DT04341B","","x-ray","0.71073","MoKα","K-L~3~","0.1017","0.0557","","","0.1255","0.1486","","","","","","1.019","","","","has coordinates","274647","2022-04-22","22:50:12",""
"7710109","8.9146","0.0011","10.3622","0.0013","18.449","0.002","87.576","0.003","86.38","0.003","78.615","0.003","1666.6","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58 Co2 Mo6 N8 O36 Te -","- C50 H58 Co2 Mo6 N8 O36 Te -","- C50 H58 Co2 Mo6 N8 O36 Te -","1","0.5","","Zhang, Yue; Wang, Xiang; Wang, Yue; Xu, Na; Wang, Xiu-Li","Cobalt complexes tuned by Anderson-type polyoxometalates and bis-amide derivative ligands featuring a ‘V’-like connector for efficient ampere sensing and the visible-light catalytic reduction of Cr(vi)","Dalton Transactions","2022","","","","","10.1039/D1DT04341B","","x-ray","0.71073","MoKα","K-L~3~","0.1769","0.0617","","","0.1175","0.1738","","","","","","0.92","","","","has coordinates","274647","2022-04-22","22:50:14",""
"7710110","8.7713","0.0019","10.978","0.003","18.101","0.004","81.88","0.004","83.858","0.004","75.321","0.004","1664.6","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H54 Co2 Mo6 N8 O38 Te -","- C50 H50 Co2 Mo6 N8 O36 Te -","- C50 H50 Co2 Mo6 N8 O36 Te -","1","0.5","","Zhang, Yue; Wang, Xiang; Wang, Yue; Xu, Na; Wang, Xiu-Li","Cobalt complexes tuned by Anderson-type polyoxometalates and bis-amide derivative ligands featuring a ‘V’-like connector for efficient ampere sensing and the visible-light catalytic reduction of Cr(vi)","Dalton Transactions","2022","","","","","10.1039/D1DT04341B","","x-ray","0.71073","MoKα","K-L~3~","0.1099","0.0452","","","0.085","0.1066","","","","","","0.936","","","","has coordinates","274647","2022-04-22","22:50:15",""
"7710111","12.4682","0.0005","12.4968","0.0005","14.3152","0.0006","81.757","0.001","80.908","0.001","75.009","0.001","2115.19","0.15","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 Al2 Co2 Mo12 N8 O63 -","- C50 H56 Al2 Co2 Mo12 N8 O63 -","- C50 H56 Al2 Co2 Mo12 N8 O63 -","1","0.5","","Zhang, Yue; Wang, Xiang; Wang, Yue; Xu, Na; Wang, Xiu-Li","Cobalt complexes tuned by Anderson-type polyoxometalates and bis-amide derivative ligands featuring a ‘V’-like connector for efficient ampere sensing and the visible-light catalytic reduction of Cr(vi)","Dalton Transactions","2022","","","","","10.1039/D1DT04341B","","x-ray","0.71073","MoKα","K-L~3~","0.0561","0.0356","","","0.0745","0.0828","","","","","","1.008","","","","has coordinates,has disorder","274647","2022-04-22","22:50:15",""
"7710112","14.8373","0.0002","9.6322","0.0002","20.4511","0.0004","90","","92.515","0.002","90","","2919.97","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 P2 Zn -","- C36 H28 P2 Zn -","- C144 H112 P8 Zn4 -","4","1","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0783","0.0542","","","0.1355","0.1481","","","","","","1.066","","","","has coordinates","274648","2022-04-22","22:51:45",""
"7710113","17.5815","0.0002","11.4543","0.0001","18.0955","0.0002","90","","90","","90","","3644.14","0.07","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H52 O3 P2 Ru Zn -","- C39 H52 O3 P2 Ru Zn -","- C156 H208 O12 P8 Ru4 Zn4 -","4","1","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0262","0.0248","","","0.0581","0.0588","","","","","","1.046","","","","has coordinates","274648","2022-04-22","22:51:46",""
"7710114","9.1351","0.0002","13.0286","0.0003","20.1713","0.0006","93.909","0.002","97.565","0.002","96.028","0.002","2358.48","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 O0.5 P3 Pd Zn -","- C56 H48 O0.5 P3 Pd Zn -","- C112 H96 O P6 Pd2 Zn2 -","2","1","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0393","0.0333","","","0.0826","0.0851","","","","","","1.037","","","","has coordinates","274648","2022-04-22","22:51:46",""
"7710115","9.8387","0.0002","13.5839","0.0004","15.1541","0.0006","100.156","0.003","91.955","0.003","108.525","0.002","1881.45","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 O4 P2 Ru Zn -","- C43 H38 O4 P2 Ru Zn -","- C86 H76 O8 P4 Ru2 Zn2 -","2","1","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0406","0.0343","","","0.0846","0.0877","","","","","","1.044","","","","has coordinates","274648","2022-04-22","22:51:46",""
"7710116","9.4608","0.0001","8.8888","0.0001","19.8948","0.0002","90","","103.418","0.0012","90","","1627.39","0.03","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 P2 Zn -","- C36 H52 P2 Zn -","- C72 H104 P4 Zn2 -","2","0.5","","Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun","Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation","Dalton Transactions","2022","","","","","10.1039/D2DT01222G","","","1.54184","CuKα","","0.0367","0.0344","","","0.0949","0.0971","","","","","","1.064","","","","has coordinates","274648","2022-04-22","22:51:46",""
"7710117","21.066","0.0001","32.5271","0.0002","45.5844","0.0003","90","","98.553","0.001","90","","30887.8","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C288 H314 Ag20 Au24 Cl2 O -","- C288 H314 Ag20 Au24 Cl2 O -","- C1152 H1256 Ag80 Au96 Cl8 O4 -","4","1","","Tang, Yun; Sun, Fang; Ma, Xiaoshuang; Qin, Lubing; Ma, Guanyu; Tang, Qing; Tang, Zhenghua","Alkynyl and Halogen Co-protected (AuAg)44 Nanoclusters: A Comparative Study on Optical Absorbance, Structure Analysis, and Hydrogen Evolution Performance","Dalton Transactions","2022","","","","","10.1039/D2DT00634K","","x-ray","1.54184","CuKα","","0.0869","0.0735","","","0.181","0.1913","","","","","","1.092","","","","has coordinates,has disorder","274671","2022-04-25","23:06:46",""
"7710118","28.0809","0.0016","22.07","0.002","16.1655","0.0006","90","","115.255","0.004","90","","9060.9","1.1","149.99","0.11","149.99","0.11","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54.06 H81.09 Ag11 Au11 Br1.64 Cl1.36 N3 -","- C48.06 H72.09 Ag11 Au11 Br1.64 Cl1.36 -","- C192.24 H288.36 Ag44 Au44 Br6.56 Cl5.44 -","4","0.5","","Tang, Yun; Sun, Fang; Ma, Xiaoshuang; Qin, Lubing; Ma, Guanyu; Tang, Qing; Tang, Zhenghua","Alkynyl and Halogen Co-protected (AuAg)44 Nanoclusters: A Comparative Study on Optical Absorbance, Structure Analysis, and Hydrogen Evolution Performance","Dalton Transactions","2022","","","","","10.1039/D2DT00634K","","x-ray","0.71073","MoKα","","0.1247","0.0824","","","0.2157","0.2576","","","","","","1.049","","","","has coordinates,has disorder","274671","2022-04-25","23:06:47",""
"7710119","11.1445","0.0005","11.4646","0.0005","15.539","0.0007","94.646","0.002","99.027","0.002","111.26","0.002","1806.72","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H57 N2 O Si2 Y -","- C33 H57 N2 O Si2 Y -","- C66 H114 N4 O2 Si4 Y2 -","2","1","","Trifonov, Alexander; Tolpygin, Aleksei; Sachkova, Anastasia; Mikhailychev, Alexander; Ob’edkov, A. M.; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate ligands. Synthesis, structure and catalytic activity in polymerization of isoprene and 1-heptene.","Dalton Transactions","2022","","","","","10.1039/D2DT00866A","","","0.71073","MoKα","","0.0554","0.0384","","","0.0879","0.094","","","","","","1.035","","","","has coordinates,has disorder","274672","2022-04-25","23:08:08",""
"7710120","11.1928","0.0005","11.3356","0.0005","15.4964","0.0004","94.893","0.003","98.012","0.003","111.928","0.004","1785.79","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H57 N2 O Sc Si2 -","- C33 H57 N2 O Sc Si2 -","- C66 H114 N4 O2 Sc2 Si4 -","2","1","","Trifonov, Alexander; Tolpygin, Aleksei; Sachkova, Anastasia; Mikhailychev, Alexander; Ob’edkov, A. M.; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate ligands. Synthesis, structure and catalytic activity in polymerization of isoprene and 1-heptene.","Dalton Transactions","2022","","","","","10.1039/D2DT00866A","","","0.71073","MoKα","","0.0564","0.0421","","","0.1065","0.1161","","","","","","1.036","","","","has coordinates,has disorder","274672","2022-04-25","23:08:14",""
"7710121","11.4383","0.0005","19.1282","0.0008","18.8454","0.0008","90","","103.73","0.001","90","","4005.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 N2 O P Sc Si2 -","- C39 H54 N2 O P Sc Si2 -","- C156 H216 N8 O4 P4 Sc4 Si8 -","4","1","","Trifonov, Alexander; Tolpygin, Aleksei; Sachkova, Anastasia; Mikhailychev, Alexander; Ob’edkov, A. M.; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate ligands. Synthesis, structure and catalytic activity in polymerization of isoprene and 1-heptene.","Dalton Transactions","2022","","","","","10.1039/D2DT00866A","","","0.71073","MoKα","","0.0509","0.0386","","","0.0827","0.0882","","","","","","1.073","","","","has coordinates","274672","2022-04-25","23:08:25",""
"7710122","12.6969","0.0004","24.2752","0.0009","15.3631","0.0007","90","","94.631","0.004","90","","4719.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H63 N3 P Sc Si2 -","- C48.5 H63 N3 P Sc Si2 -","- C194 H252 N12 P4 Sc4 Si8 -","4","1","","Trifonov, Alexander; Tolpygin, Aleksei; Sachkova, Anastasia; Mikhailychev, Alexander; Ob’edkov, A. M.; Glukhova, Tatyana; Cherkasov, Anton; Fukin, Georgii K.","Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate ligands. Synthesis, structure and catalytic activity in polymerization of isoprene and 1-heptene.","Dalton Transactions","2022","","","","","10.1039/D2DT00866A","","","0.71073","MoKα","","0.1124","0.0672","","","0.1364","0.1572","","","","","","1.066","","","","has coordinates,has disorder","274672","2022-04-25","23:08:25",""
"7710123","10.431","0.003","11.687","0.003","14.658","0.004","72.627","0.003","83.92","0.004","79.138","0.004","1672.5","0.8","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","- C72 H98 Cr S2 -","1","0.5","","Luo, Qian-Cheng; Ge, Ning; Zhai, Yuan-Qi; Wang, Teng-Bo; Sun, Lin; Sun, Qi; Li, Fanni; Ouyang, Zhongwen; Wang, Zhen-Xing; Zheng, Yan-Zhen","A C,S bonded quasi-two-coordinate chromium(II) complex showing field-induced slow magnetic relaxation behaviour.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9218","9222","10.1039/d2dt01131j","","","0.71073","MoKα","","0.0833","0.0572","","","0.1652","0.1896","","","","","","1.023","","","","has coordinates,has disorder","276617","2022-07-06","08:09:25",""
"7710124","15.331","0.0012","11.0698","0.0009","13.6313","0.001","90","","115.519","0.003","90","","2087.7","0.3","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl N4 O3 Ru -","- C20 H27 Cl N4 O3 Ru -","- C80 H108 Cl4 N16 O12 Ru4 -","4","1","","Maji, Babulal; Bhandari, Anirban; Sadhukhan, Rayantan; Choudhury, Joyanta","Water‐soluble and reusable Ru–NHC catalyst for aqueous‐phase transfer hydrogenation of quinolines with formic acid","Dalton Transactions","2022","","","","","10.1039/D2DT00571A","","","0.71073","MoKα","","0.1275","0.0719","","","0.1218","0.1413","","","","","","1.0807","","","","has coordinates","274702","2022-04-26","22:52:15",""
"7710125","14.6419","0.0012","13.5577","0.0009","19.6678","0.0016","90","","90","","90","","3904.3","0.5","140","","140","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H23 Cl N4 O2 Ru -","- C19 H23 Cl N4 O2 Ru -","- C152 H184 Cl8 N32 O16 Ru8 -","8","2","","Maji, Babulal; Bhandari, Anirban; Sadhukhan, Rayantan; Choudhury, Joyanta","Water‐soluble and reusable Ru–NHC catalyst for aqueous‐phase transfer hydrogenation of quinolines with formic acid","Dalton Transactions","2022","","","","","10.1039/D2DT00571A","","","0.71073","MoKα","","0.0242","0.0219","","","0.0507","0.0523","","","","","","1.037","","","","has coordinates","274702","2022-04-26","22:52:16",""
"7710126","21.9678","0.0007","12.5135","0.0004","8.9201","0.0003","90","","105.422","0.001","90","","2363.79","0.13","100","2","99.65","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H23 B18 Cs Fe I2 N -","- C6 H23 B18 Cs Fe I2 N -","- C24 H92 B72 Cs4 Fe4 I8 N4 -","4","0.5","","Bennour, Ines; Ramos, M. Núria; Nuez-Martínez, Miquel; Xavier, Jewel Ann Maria; Buades, Ana B.; Sillanpää, Reijo; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Romero, Isabel; Martinez-Medina, Margarita; Viñas, Clara","Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical–chemical properties and biological evaluation to tackle bacterial infections","Dalton Transactions","2022","","","","","10.1039/D2DT01015A","","","0.82652","synchrotron","","0.0433","0.0409","","","0.1347","0.1399","","","","","","1.103","","","","has coordinates,has disorder","274703","2022-04-26","22:52:59",""
"7710127","8.0526","0.0003","11.2324","0.0005","12.1312","0.0006","90","","103.702","0.002","90","","1066.04","0.08","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H35 B18 Co O6 -","- C4 H35 B18 Co O6 -","- C8 H70 B36 Co2 O12 -","2","0.25","","Bennour, Ines; Ramos, M. Núria; Nuez-Martínez, Miquel; Xavier, Jewel Ann Maria; Buades, Ana B.; Sillanpää, Reijo; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Romero, Isabel; Martinez-Medina, Margarita; Viñas, Clara","Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical–chemical properties and biological evaluation to tackle bacterial infections","Dalton Transactions","2022","","","","","10.1039/D2DT01015A","","","0.71073","MoKα","","0.0305","0.0273","","","0.0725","0.0752","","","","","","1.202","","","","has coordinates","274703","2022-04-26","22:53:00",""
"7710128","6.209","0.0001","11.2054","0.0001","15.9859","0.0002","104.666","0.001","100.04","0.001","97.394","0.001","1041.91","0.02","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 B Cl F2 N5 -","- C24 H18 B Cl F2 N5 -","- C48 H36 B2 Cl2 F4 N10 -","2","1","","Kumar, Dalip; Mitra, Sivaprasad; Sarkar, Madhushree; Krishnan, R.; Kumar, Bintu; Bhatta, Anindita; Saraf, Prakriti","Iodine(III)-promoted regioselective and efficient synthesis of β-triazolyl BODIPYs for the selective recognition of nickel ion and bovine serum albumin","Dalton Transactions","2022","","","","","10.1039/D2DT00946C","","x-ray","1.54184","CuKα","","0.0412","0.0397","","","0.1095","0.1107","","","","","","1.112","","","","has coordinates","274704","2022-04-26","22:53:28",""
"7710129","13.519","0.002","13.643","0.002","14.754","0.002","112.016","0.006","106.072","0.006","104.125","0.006","2231.8","0.6","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C102 H126 Cl2 Co2 N4 -","- C102 H126 Cl2 Co2 N4 -","- C102 H126 Cl2 Co2 N4 -","1","0.5","","Zhou, Yuting; Li, Yuzhu; Xi, Jing; Qin, Yuanyuan; Cen, Peipei; Zhang, Yi-Quan; Guo, Yan; Ding, Yi; Liu, Xiangyu","Modulation of the architectures and magnetic dynamics in pseudotetrahedral cobalt(II) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01047J","","","0.71073","MoKα","","0.062","0.0453","","","0.1099","0.1181","","","","","","1.042","","","","has coordinates,has disorder","274705","2022-04-26","22:53:58",""
"7710130","9.4237","0.0012","12.6248","0.0016","22.087","0.003","102.736","0.004","99.487","0.004","100.369","0.004","2463.3","0.6","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H65 Cl Co N3 -","- C56.5 H65 Cl Co N3 -","- C113 H130 Cl2 Co2 N6 -","2","1","","Zhou, Yuting; Li, Yuzhu; Xi, Jing; Qin, Yuanyuan; Cen, Peipei; Zhang, Yi-Quan; Guo, Yan; Ding, Yi; Liu, Xiangyu","Modulation of the architectures and magnetic dynamics in pseudotetrahedral cobalt(II) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01047J","","","0.71073","MoKα","","0.057","0.0386","","","0.0954","0.106","","","","","","1.02","","","","has coordinates,has disorder","274705","2022-04-26","22:53:58",""
"7710131","23.1128","0.0007","12.9136","0.0003","38.9016","0.0009","90","","91.719","0.002","90","","11605.7","0.5","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H98 Cu4 Mo10 N18 O50 S4 -","- C84 H91 Cu4 Mo10 N18 O50 S4 -","- C336 H364 Cu16 Mo40 N72 O200 S16 -","4","1","","Gupta, Yesleen; Zaidi, Zakiullah; Mehta, Sakshi; Chandewar, Pranay R.; Kumar, Nikhil; Paul, Avijit K.; Shee, Debaprasad; Mondal, Abhishake; Sorokhaibam, Laxmi Gayatri; Banerjee, Abhishek","Assembly of a coordination polymer with sulphate-capped pentamolybdate units and copper: synthesis, structure, magnetic and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00816E","","","1.34143","GaKα","","0.0591","0.0502","","","0.1386","0.1438","","","","","","1.036","","","","has coordinates,has disorder","274727","2022-04-27","23:02:50",""
"7710132","9.4798","0.0003","12.6101","0.0003","14.3603","0.0004","97.641","0.001","100.288","0.002","109.955","0.001","1552.35","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","ME 114 imida_200K","Synthesis of [Au(4-ethynyl-7-(4-nonylphenyl)benzo[c][1,2,5]thiadiazole) (1,3-diethyl-1H-benzo[d]imidazol-3-ium)]","","- C34 H39 Au N4 S -","- C34 H39 Au N4 S -","- C68 H78 Au2 N8 S2 -","2","1","","Pinto, Andrea; Echeverri, Marcelo; Gomez-Lor, Berta; Rodriguez, Laura","Highly emissive supramolecular gold(I)-BTD materials","Dalton Transactions","2022","","","","","10.1039/D2DT00950A","","","0.71073","MoKα","","0.0157","0.0138","","","0.035","0.0356","","","","","","1.107","","","","has coordinates","274728","2022-04-27","23:03:34",""
"7710133","11.158","0.0004","12.2292","0.0005","14.6217","0.0007","86.513","0.003","68.107","0.002","84.983","0.002","1843.34","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","me114 pheni1mi_200K","Au(4-ethynyl-7-(4-nonylphenyl)benzo[c][1,2,5]thiadiazole) (1,3-diethyl-1H-phenanthro[9,10-d]imidazol-3-ium)","","- C42 H43 Au N4 O S -","- C42 H43 Au N4 O S -","- C84 H86 Au2 N8 O2 S2 -","2","1","","Pinto, Andrea; Echeverri, Marcelo; Gomez-Lor, Berta; Rodriguez, Laura","Highly emissive supramolecular gold(I)-BTD materials","Dalton Transactions","2022","","","","","10.1039/D2DT00950A","","","0.71073","MoKα","","0.0216","0.0195","","","0.0578","0.059","","","","","","1.066","","","","has coordinates,has disorder","274728","2022-04-27","23:03:34",""
"7710134","7.8703","0.0003","10.4757","0.0004","15.2771","0.0006","90","","90","","90","","1259.55","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br3 N2 Pb -","- C6 H13 Br3 N2 Pb -","- C24 H52 Br12 N8 Pb4 -","4","1","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.0301","0.0222","","","0.0497","0.0512","","","","","","1.04","","","","has coordinates","274812","2022-05-02","23:12:53",""
"7710135","9.7659","0.0016","9.7659","0.0016","7.9042","0.0007","90","","90","","120","","652.85","0.16","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C6 Br3 N2 Pb -","- C6.0002 Br3 N2.0001 Pb -","- C12.0004 Br6 N4.0002 Pb2 -","2","0.0833333","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.3405","0.1935","","","0.3019","0.3389","","","","","","1.43","","","","has coordinates","274812","2022-05-02","23:12:53",""
"7710136","10.1747","0.0009","15.8777","0.0017","7.947","0.0005","90","","90","","90","","1283.8","0.2","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12 Br7 N4 Pb2 -","- C12 Br7 N4 Pb2 -","- C24 Br14 N8 Pb4 -","2","0.25","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.1625","0.1243","","","0.3871","0.428","","","","","","1.598","","","","has coordinates,has disorder","274812","2022-05-02","23:12:54",""
"7710137","18.7108","0.0011","17.4002","0.0011","26.3343","0.0016","90","","90.686","0.003","90","","8573.1","0.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H112 Bi2 Cu2 I16 N8 -","- C48 H112 Bi2 Cu2 I16 N8 -","- C192 H448 Bi8 Cu8 I64 N32 -","4","1","","Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei","Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite","Dalton Transactions","2022","","","","","10.1039/D2DT00991A","","","0.71073","MoKα","","0.0934","0.0724","","","0.1503","0.1616","","","","","","1.057","","","","has coordinates,has disorder","274813","2022-05-02","23:13:48",""
"7710138","9.313","0.003","9.211","0.004","26.573","0.01","90","","91.149","0.006","90","","2279","1.5","400","2","400","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Bi Cu I8 N4 -","- C24 H56 Bi Cu I8 N4 -","- C48 H112 Bi2 Cu2 I16 N8 -","2","0.5","","Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei","Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite","Dalton Transactions","2022","","","","","10.1039/D2DT00991A","","","0.71073","MoKα","","0.1353","0.1152","","","0.3498","0.3673","","","","","","1.047","","","","has coordinates","274813","2022-05-02","23:13:48",""
"7710139","32.3199","0.0009","8.5589","0.0003","19.6321","0.0005","90","","125.147","0.001","90","","4440.6","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H58 Bi Cu I8 N4 O -","- C24 H58 Bi Cu I8 N4 O -","- C96 H232 Bi4 Cu4 I32 N16 O4 -","4","0.5","","Ren , Rui-Ying; Su, Chang-Yuan; Shao , Ting; Zhang, Zhixu; Huang, Pei-Zhi; Zhang, Yi; Jia, Qiang-Qiang; Fu, Da-Wei","Dehydration-activated structural phase transition in a two-dimensional hybrid double perovskite","Dalton Transactions","2022","","","","","10.1039/D2DT00991A","","","0.71073","MoKα","","0.029","0.0225","","","0.0525","0.0585","","","","","","1.053","","","","has coordinates","274813","2022-05-02","23:13:48",""
"7710140","17.622","0.007","10.372","0.003","17.159","0.007","90","","117.354","0.011","90","","2785.6","1.8","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl Ge N2 -","- C30 H41 Cl Ge N2 -","- C120 H164 Cl4 Ge4 N8 -","4","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","1.34138","GaKα","","0.0601","0.0435","","","0.1082","0.1161","","","","","","1.045","","","","has coordinates","274814","2022-05-02","23:15:39",""
"7710141","12.8471","0.0007","12.1217","0.0007","18.1718","0.0009","90","","104.017","0.002","90","","2745.6","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H82 Ge2 N4 -","- C60 H82 Ge2 N4 -","- C120 H164 Ge4 N8 -","2","0.5","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","0.71073","MoKα","","0.1059","0.0549","","","0.1265","0.146","","","","","","1.02","","","","has coordinates","274814","2022-05-02","23:15:39",""
"7710142","31.977","0.006","11.392","0.002","18.293","0.004","90","","121.12","0.007","90","","5705","2","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 Ge N2 -","- C30 H42 Ge N2 -","- C240 H336 Ge8 N16 -","8","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","0.71073","MoKα","","0.0737","0.0649","","","0.1528","0.1599","","","","","","1.04","","","","has coordinates","274814","2022-05-02","23:15:39",""
"7710143","8.9419","0.0005","11.853","0.0007","13.4458","0.0007","101.563","0.002","90.578","0.002","98.666","0.002","1379.04","0.13","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 Ge N2 -","- C30 H40 Ge N2 -","- C60 H80 Ge2 N4 -","2","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","0.71073","MoKα","","0.0602","0.0429","","","0.108","0.118","","","","","","1.044","","","","has coordinates","274814","2022-05-02","23:15:39",""
"7710144","13.3724","0.0009","14.646","0.0009","15.5895","0.0011","93.181","0.003","92.2","0.003","114.758","0.003","2761.9","0.3","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H82 Ge2 N4 -","- C60 H82 Ge2 N4 -","- C120 H164 Ge4 N8 -","2","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","1.34138","GaKα","","0.0335","0.0281","","","0.0724","0.0752","","","","","","1.057","","","","has coordinates,has disorder","274814","2022-05-02","23:15:40",""
"7710145","23.395","0.003","10.6792","0.0012","37.715","0.004","90","","96.837","0.004","90","","9355.7","1.9","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","C2/C","","- C81 H106 Al4 Cl14 Ge2 N4 -","- C81 H106 Al4 Cl14 Ge2 N4 -","- C324 H424 Al16 Cl56 Ge8 N16 -","4","0.5","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","0.71073","MoKα","","0.046","0.0414","","","0.1261","0.1313","","","","","","1.041","","","","has coordinates,has disorder","274814","2022-05-02","23:15:40",""
"7710146","12.93","0.005","15.925","0.008","17.049","0.008","73.279","0.018","85.825","0.019","71.002","0.018","3178","3","153","2","153","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H96 Ge2 N4 O -","- C66 H96 Ge2 N4 O -","- C132 H192 Ge4 N8 O2 -","2","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","1.34138","GaKα","","0.0698","0.0448","","","0.107","0.1187","","","","","","1.032","","","","has coordinates","274814","2022-05-02","23:15:40",""
"7710147","13.4853","0.0005","24.7376","0.0013","34.1042","0.0018","90","","90","","90","","11377","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H164 Ge4 N8 O2 -","- C120 H164 Ge4 N8 O2 -","- C480 H656 Ge16 N32 O8 -","4","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","1.34138","GaKα","","0.0441","0.0365","","","0.0909","0.095","","","","","","1.009","","","","has coordinates,has disorder","274814","2022-05-02","23:15:40",""
"7710148","10.4559","0.0007","11.2875","0.0007","16.79","0.001","88.711","0.002","81.094","0.003","82.517","0.003","1941","0.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 Ga O P -","- C49 H50 Ga O P -","- C98 H100 Ga2 O2 P2 -","2","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.0651","0.0518","","","0.1268","0.1335","","","","","","1.074","","","","has coordinates","274815","2022-05-02","23:17:53",""
"7710149","11.0545","0.0012","19.948","0.002","22.11","0.002","90","","98.272","0.003","90","","4824.9","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Ga N2 O P -","- C56 H62 Ga N2 O P -","- C224 H248 Ga4 N8 O4 P4 -","4","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.1131","0.0803","","","0.15","0.1585","","","","","","1.101","","","","has coordinates,has disorder","274815","2022-05-02","23:17:54",""
"7710150","10.6724","0.0003","11.2002","0.0004","16.8476","0.0005","88.695","0.001","80.312","0.001","81.733","0.001","1964.49","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H50 In O P -","- C49 H50 In O P -","- C98 H100 In2 O2 P2 -","2","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.038","0.0283","","","0.0623","0.0657","","","","","","1.039","","","","has coordinates","274815","2022-05-02","23:17:54",""
"7710151","11.4267","0.001","28.438","0.003","17.4895","0.0014","90","","104.738","0.003","90","","5496.3","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 In N2 O P Te -","- C56 H62 In N2 O P Te -","- C224 H248 In4 N8 O4 P4 Te4 -","4","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.0898","0.0496","","","0.0762","0.0842","","","","","","1.022","","","","has coordinates","274815","2022-05-02","23:17:54",""
"7710152","11.2294","0.0005","20.1471","0.0012","22.397","0.0012","90","","100.753","0.002","90","","4978.1","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 In N2 O P -","- C56 H62 In N2 O P -","- C224 H248 In4 N8 O4 P4 -","4","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.0767","0.0679","","","0.1317","0.1345","","","","","","1.294","","","","has coordinates,has disorder","274815","2022-05-02","23:17:54",""
"7710153","11.685","0.0008","33.106","0.002","13.6771","0.0012","90","","110.903","0.002","90","","4942.7","0.6","100.01","","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Ga N2 O P Te -","- C56 H62 Ga N2 O P Te -","- C224 H248 Ga4 N8 O4 P4 Te4 -","4","1","","Duvinage, Daniel; Janssen, Marvin; Lork, Enno; Grützmacher, Hansjörg; Mebs, Stefan; Beckmann, Jens","Heavier Bis(m-terphenyl)element phosphaethynolates of Group 13","Dalton Transactions","2022","","","","","10.1039/D2DT00907B","","x-ray","0.71073","MoKα","","0.0594","0.0521","","","0.1156","0.1183","","","","","","1.178","","","","has coordinates","274815","2022-05-02","23:17:54",""
"7710154","22.5729","0.0006","32.419","0.0003","43.4373","0.0005","90","","90","","90","","31787","1","100.01","0.1","100.01","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- Fe8 Li48 Nb48 O216 -","- Fe8 Li48 Nb48 O216 -","- Fe32 Li192 Nb192 O864 -","4","0.5","","Baranov, Mark; Polin, Libi; Leffler, Nitai; Leitus, Gregory; Shames, Alexander I.; Weinstock, Ira A.","All-inorganic ferric wheel based on hexaniobate-anion linkers","Dalton Transactions","2022","","","","","10.1039/D2DT00971D","","x-ray","1.54184","CuKα","","0.0895","0.0767","","","0.2338","0.2479","","","","","","1.086","","","","has coordinates,has disorder","274816","2022-05-02","23:19:31",""
"7710155","9.6946","0.0003","23.0494","0.0005","11.1709","0.0003","90","","100.423","0.003","90","","2455","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl6 I N2 P -","- C48 H54 Cl6 I N2 P -","- C96 H108 Cl12 I2 N4 P2 -","2","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","0.71073","MoKα","","0.0425","0.0363","","","0.0743","0.0778","","","","","","1.024","","","","has coordinates,has disorder","274817","2022-05-02","23:20:50",""
"7710156","10.508","0.0007","10.6031","0.0006","20.82","0.0014","75.72","0.006","87.335","0.005","70.184","0.006","2113.2","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H55 N2 P -","- C52 H55 N2 P -","- C104 H110 N4 P2 -","2","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","1.54184","CuKα","","0.0736","0.0467","","","0.1007","0.1134","","","","","","1.031","","","","has coordinates","274817","2022-05-02","23:20:50",""
"7710157","11.6389","0.0003","15.0221","0.0005","15.9346","0.0005","83.088","0.003","75.067","0.003","80.567","0.003","2646.59","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58.35 H61.71 B2 Cl4.7 N2 P -","- C58.353 H61.706 B2 Cl4.706 N2 P -","- C116.706 H123.412 B4 Cl9.412 N4 P2 -","2","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","1.54184","CuKα","","0.0397","0.0367","","","0.0947","0.0974","","","","","","1.072","","","","has coordinates,has disorder","274817","2022-05-02","23:20:51",""
"7710158","12.5519","0.0002","13.5059","0.0003","17.4784","0.0003","95.2343","0.0015","105.46","0.0015","90.6853","0.0015","2841.87","0.09","99.97","0.13","99.97","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C97 H112 Au2 Cl12 N4 P2 -","- C92 H102 Au2 Cl2 N4 P2 -","- C92 H102 Au2 Cl2 N4 P2 -","1","0.5","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","0.71073","MoKα","","0.0512","0.0458","","","0.1183","0.1228","","","","","","1.036","","","","has coordinates","274817","2022-05-02","23:20:51",""
"7710159","20.2225","0.0004","18.7068","0.0004","20.302","0.0004","90","","90","","90","","7680.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H51 N2 P -","- C46 H51 N2 P -","- C368 H408 N16 P8 -","8","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","0.71073","MoKα","","0.0753","0.0492","","","0.1133","0.1262","","","","","","1.023","","","","has coordinates","274817","2022-05-02","23:20:51",""
"7710160","7.20781","0.00014","7.23746","0.00013","13.4221","0.0002","92.2638","0.0015","97.712","0.0017","90.2231","0.0016","693.28","0.02","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 Br4 Cu N2 -","- C6 H16 Br4 Cu N2 -","- C12 H32 Br8 Cu2 N4 -","2","1","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0386","0.024","","","0.0373","0.0416","","","","","","1.0597","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710161","7.9147","0.0016","8.0914","0.0016","12.984","0.004","90","","118.58","0.02","90","","730.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ag2 Br4 N2 -","- C6 H16 Ag2 Br4 N2 -","- C12 H32 Ag4 Br8 N4 -","2","0.5","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0336","0.0252","","","0.0498","0.0533","","","","","","1.074","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710162","7.8025","0.0003","7.7952","0.0004","12.6471","0.0006","90","","119.124","0.004","90","","671.97","0.06","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Ag Cl2 N -","- C3 H8 Ag Cl2 N -","- C12 H32 Ag4 Cl8 N4 -","4","1","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0473","0.0287","","","0.0545","0.062","","","","","","1.0303","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710163","8.015","0.0004","7.804","0.0002","12.2864","0.0002","90","","117.617","0.002","90","","680.94","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Br2 Cu N -","- C3 H8 Br2 Cu N -","- C12 H32 Br8 Cu4 N4 -","4","1","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0475","0.0308","","","0.0624","0.0689","","","","","","1.053","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710164","13.7873","0.0005","14.7844","0.001","6.9901","0.0003","90","","90","","90","","1424.84","0.13","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Br2 Cd0.5 N -","- C3 H8 Br2 Cd0.5 N -","- C24 H64 Br16 Cd4 N8 -","8","1","","Gautier, Romain; PARIS, Michael; Massuyeau, Florian","Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides","Dalton Transactions","2022","","","","","10.1039/D2DT00614F","","x-ray","0.71073","MoKα","","0.0779","0.0364","","","0.0436","0.0516","","","","","","1.0409","","","","has coordinates","274818","2022-05-02","23:22:55",""
"7710165","17.0982","0.0019","17.2094","0.0016","27.081","0.003","101.09","0.008","96.192","0.009","101.735","0.009","7566.2","1.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H97 Co12 N35 O22 -","- C126 H93 Co12 N35 O22 -","- C252 H186 Co24 N70 O44 -","2","1","","Liang, Xiao-Wen; Zhang, Lin-Lin; Zhang, Ting; Zhao, Jiong-Peng; liu, fuchen","Supramolecular Isomorphic Dodecanuclear Cobalt Clusters with Same Metal Shell but Different Core Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00915C","","x-ray","0.71073","MoKα","","0.2204","0.1029","","","0.2191","0.2959","","","","","","0.929","","","","has coordinates,has disorder","274819","2022-05-02","23:24:05",""
"7710166","17.2087","0.0014","17.2439","0.0015","27.3335","0.0015","101.341","0.006","96.206","0.005","101.395","0.007","7704.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H101 Co12 N29 O25 -","- C128 H96 Co12 N29 O25 -","- C256 H192 Co24 N58 O50 -","2","1","","Liang, Xiao-Wen; Zhang, Lin-Lin; Zhang, Ting; Zhao, Jiong-Peng; liu, fuchen","Supramolecular Isomorphic Dodecanuclear Cobalt Clusters with Same Metal Shell but Different Core Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT00915C","","x-ray","0.71073","MoKα","","0.1392","0.0709","","","0.1684","0.209","","","","","","0.959","","","","has coordinates,has disorder","274819","2022-05-02","23:24:06",""
"7710167","8.0766","0.0002","11.3089","0.0002","11.7413","0.0003","90","","90.687","0.002","90","","1072.34","0.04","100","0.1","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetrachloro(1,2-dimethoxyethane)tungsten(IV)","","- C4 H10 Cl4 O2 W -","- C4 H10 Cl4 O2 W -","- C16 H40 Cl16 O8 W4 -","4","1","","Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.","Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride","Dalton Transactions","2022","","","","","10.1039/D2DT00787H","","x-ray","0.71073","MoKα","","0.0236","0.0224","","","0.0555","0.0558","","","","","","1.052","","","","has coordinates","274820","2022-05-02","23:25:10",""
"7710168","7.5956","0.0002","11.4732","0.0004","9.0193","0.0003","90","","106.347","0.003","90","","754.22","0.04","298.1","0.5","298.1","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrachlorobis(diethyl ether)molybdenum(IV)","","- C8 H20 Cl4 Mo O2 -","- C8 H20 Cl4 Mo O2 -","- C16 H40 Cl8 Mo2 O4 -","2","0.5","","Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.","Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride","Dalton Transactions","2022","","","","","10.1039/D2DT00787H","","x-ray","0.71073","MoKα","","0.0272","0.0212","","","0.0494","0.0516","","","","","","1.068","","","","has coordinates","274820","2022-05-02","23:25:11",""
"7710169","8.0686","0.0005","11.3057","0.0006","11.6997","0.0006","90","","90.519","0.005","90","","1067.22","0.1","100","0.1","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Tetrachloro(1,2-dimethoxyethane)molybdenum(IV)","","- C4 H10 Cl4 Mo O2 -","- C4 H10 Cl4 Mo O2 -","- C16 H40 Cl16 Mo4 O8 -","4","1","","Shaw, Thomas E.; Diethrich, Timothy J. J.; Stern, Charlotte L.; Scott, Brian; Jurca, Titel; Gilbert, Thomas M.; Sattelberger, Alfred P.","Synthesis, Characterization, X-ray and Electronic Structures of Diethyl Ether and 1,2-Dimethoxyethane Adducts of Molybdenum(IV) Chloride and Tungsten(IV) Chloride","Dalton Transactions","2022","","","","","10.1039/D2DT00787H","","x-ray","0.71073","MoKα","","0.0418","0.0372","","","0.0987","0.1093","","","","","","1.166","","","","has coordinates","274820","2022-05-02","23:25:11",""
"7710170","15.8518","0.0003","15.4697","0.0004","13.9712","0.0002","90","","100.252","0.002","90","","3371.36","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C112 H128 N32 O56 -","8","1","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.0552","0.0508","","","0.1306","0.1345","","","","","","1.061","","","","has coordinates,has disorder","274857","2022-05-03","22:50:12",""
"7710171","14.9306","0.0005","5.6066","0.0002","20.663","0.0008","90","","107.404","0.004","90","","1650.51","0.11","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 Mn N4 O9 -","- C13 H7 Mn N4 O9 -","- C52 H28 Mn4 N16 O36 -","4","1","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.0589","0.0415","","","0.0907","0.0991","","","","","","1.04","","","","has coordinates","274857","2022-05-03","22:50:13",""
"7710172","14.3811","0.0005","15.101","0.0005","17.2257","0.0006","107.251","0.003","94.748","0.003","110.515","0.003","3272.3","0.2","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 N4 O9.5 Re -","- C13 H8 N4 O9.5 Re -","- C104 H64 N32 O76 Re8 -","8","4","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.0381","0.0305","","","0.0698","0.0733","","","","","","1.036","","","","has coordinates","274857","2022-05-03","22:50:15",""
"7710173","33.2013","0.0008","11.7943","0.0003","10.7307","0.0002","90","","96.218","0.002","90","","4177.27","0.17","99.9","0.5","99.9","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N4 O9 Ru -","- C13 H11 Cl N4 O9 Ru -","- C104 H88 Cl8 N32 O72 Ru8 -","8","1","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.0438","0.0423","","","0.1113","0.1128","","","","","","1.041","","","","has coordinates","274857","2022-05-03","22:50:28",""
"7710174","12.501","0.0002","14.0811","0.0002","9.1841","0.0001","90","","93.036","0.001","90","","1614.39","0.04","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N4 O9 Ru -","- C12 H9 Cl N4 O9 Ru -","- C48 H36 Cl4 N16 O36 Ru4 -","4","1","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.03","0.029","","","0.0759","0.0768","","","","","","1.058","","","","has coordinates","274857","2022-05-03","22:50:28",""
"7710175","11.1991","0.0008","11.4892","0.0009","13.4138","0.0014","67.429","0.008","66.782","0.008","85.757","0.006","1458.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H58 N9 O53 P V14 -","- C12 H54 N9 O53 P V14 -","- C12 H54 N9 O53 P V14 -","1","0.5","","Zarroug, Rim; Artetxe, Beñat; Ayed, Brahim; López, Xavier; Ribeiro, Nádia; Correia, Isabel; Pessoa, João Costa","New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules","Dalton Transactions","2022","","","","","10.1039/D2DT00690A","","x-ray","0.71073","MoKα","","0.1227","0.0773","","","0.1912","0.2335","","","","","","1.022","","","","has coordinates","274858","2022-05-03","22:52:05",""
"7710176","14.0745","0.0003","34.2555","0.0005","14.1623","0.0003","90","","115.364","0.002","90","","6169.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 N5 O47 P V14 -","- C30 H54 N5 O47 P V14 -","- C120 H216 N20 O188 P4 V56 -","4","1","","Zarroug, Rim; Artetxe, Beñat; Ayed, Brahim; López, Xavier; Ribeiro, Nádia; Correia, Isabel; Pessoa, João Costa","New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules","Dalton Transactions","2022","","","","","10.1039/D2DT00690A","","x-ray","0.71073","MoKα","","0.0738","0.0562","","","0.1295","0.1429","","","","","","1.071","","","","has coordinates","274858","2022-05-03","22:52:06",""
"7710177","10.2862","0.0005","12.1285","0.0004","12.6954","0.0005","90","","111.54","0.005","90","","1473.22","0.12","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H34 Cl N2 P Pd -","- C33 H34 Cl N2 P Pd -","- C66 H68 Cl2 N4 P2 Pd2 -","2","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","","0.71073","MoKα","","0.038","0.0324","","","0.0575","0.0615","","","","","","1.036","","","","has coordinates","274859","2022-05-03","22:53:27",""
"7710178","9.20754","0.00008","14.47998","0.00012","22.6523","0.0002","90","","90","","90","","3020.12","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Cl N2 O P Pd -","- C35 H30 Cl N2 O P Pd -","- C140 H120 Cl4 N8 O4 P4 Pd4 -","4","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0302","0.0279","","","0.0694","0.0712","","","","","","1.031","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710179","9.34262","0.00012","14.76131","0.00019","24.6818","0.0003","90","","90","","90","","3403.85","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl N2 O P Pd -","- C41 H32 Cl N2 O P Pd -","- C164 H128 Cl4 N8 O4 P4 Pd4 -","4","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0382","0.032","","","0.0684","0.0723","","","","","","1.013","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710180","12.41683","0.00019","23.3274","0.0003","12.73072","0.00019","90","","113.105","0.0017","90","","3391.71","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H34 Cl N2 P Pd -","- C41 H34 Cl N2 P Pd -","- C164 H136 Cl4 N8 P4 Pd4 -","4","2","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0491","0.0452","","","0.1138","0.1183","","","","","","1.034","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710181","9.7425","0.0002","15.3879","0.0003","20.5147","0.0005","106.615","0.002","95.925","0.002","102.708","0.002","2829.13","0.12","203","0.1","203","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H66 N13 O7.5 -","- C60 H66 N13 O7.5 -","- C120 H132 N26 O15 -","2","1","","Qiu, Gege; Diao, Donglin; Chaussy, Leo; Chevallier-Michaud, Sabine; Simaan, A. Jalila; Nava, Paola; Martinez, Alexandre; Colomban, Cedric","A caged tris(2-pyridylmethyl)amine ligand equipped with a Ctriazole-H hydrogen bonding cavity.","Dalton Transactions","2022","","","","","10.1039/D2DT00607C","","x-ray","1.54184","CuKα","","0.0863","0.0592","","","0.1529","0.1726","","","","","","1.037","","","","has coordinates,has disorder","274899","2022-05-04","22:57:10",""
"7710182","13.8182","0.0001","24.6077","0.0003","34.2051","0.0004","87.51","0.001","86.765","0.001","81.936","0.001","11490.1","0.2","203.01","0.1","203.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C174 H162 Cu3 F18 N42 O36 S6 -","- C174 H162 Cu3 F18 N42 O36 S6 -","- C348 H324 Cu6 F36 N84 O72 S12 -","2","1","","Qiu, Gege; Diao, Donglin; Chaussy, Leo; Chevallier-Michaud, Sabine; Simaan, A. Jalila; Nava, Paola; Martinez, Alexandre; Colomban, Cedric","A caged tris(2-pyridylmethyl)amine ligand equipped with a Ctriazole-H hydrogen bonding cavity.","Dalton Transactions","2022","","","","","10.1039/D2DT00607C","","x-ray","1.54184","CuKα","","0.0696","0.0564","","","0.1576","0.168","","","","","","1.065","","","","has coordinates,has disorder","274899","2022-05-04","22:57:10",""
"7710183","9.6632","0.0019","11.266","0.002","11.812","0.002","65.13","0.03","76.23","0.03","64.73","0.03","1052.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O Zn0.5 -","- C26 H22 N2 O Zn0.5 -","- C52 H44 N4 O2 Zn -","2","1","","Coutsolelos, Athanassios G.; Angaridis, Panagiots; Orfanos, Emmanuel; Ladomenou, Kalliopi","Shape-dependent photocatalytic H2 production photosensitized by different self-assembled forms of a zinc(II) porphyrin","Dalton Transactions","2022","","","","","10.1039/D2DT00556E","","","0.71073","MoKα","","0.0737","0.0382","","","0.0665","0.0721","","","","","","0.742","","","","has coordinates","274900","2022-05-04","22:57:37",""
"7710184","9.3621","0.0004","9.7525","0.0003","14.8523","0.0006","80.019","0.003","78.242","0.003","88.274","0.003","1307.51","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Bi N -","- C14 H16 Bi N -","- C56 H64 Bi4 N4 -","4","2","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0407","0.027","","","0.0591","0.0639","","","","","","1.029","","","","has coordinates","274901","2022-05-04","22:59:58",""
"7710185","6.3753","0.0003","18.4967","0.0009","17.0593","0.0007","90","","95.766","0.003","90","","2001.49","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 As Bi -","- C20 H28 As Bi -","- C80 H112 As4 Bi4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0538","0.0325","","","0.0671","0.0717","","","","","","0.999","","","","has coordinates","274901","2022-05-04","22:59:58",""
"7710186","6.2419","0.0003","8.9902","0.0004","19.3583","0.001","77.94","0.004","88.394","0.004","75.687","0.004","1029.04","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Bi P Si -","- C19 H28 Bi P Si -","- C38 H56 Bi2 P2 Si2 -","2","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0278","0.0202","","","0.0435","0.0442","","","","","","0.979","","","","has coordinates,has disorder","274901","2022-05-04","22:59:58",""
"7710187","8.075","0.003","8.71","0.003","26.474","0.012","90","","93.97","0.04","90","","1857.5","1.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Bi N -","- C20 H28 Bi N -","- C80 H112 Bi4 N4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0389","0.0268","","","0.064","0.0665","","","","","","0.971","","","","has coordinates","274901","2022-05-04","22:59:58",""
"7710188","9.5236","0.0005","9.9232","0.0005","13.0242","0.0006","96.38","0.004","104.891","0.004","115.291","0.004","1040.56","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H32 Bi N -","- C22 H32 Bi N -","- C44 H64 Bi2 N2 -","2","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0312","0.0245","","","0.0554","0.0568","","","","","","1.004","","","","has coordinates","274901","2022-05-04","22:59:58",""
"7710189","40.1899","0.0018","6.168","0.0002","17.2741","0.0007","90","","103.327","0.003","90","","4166.8","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 As Bi Si -","- C19 H28 As Bi Si -","- C152 H224 As8 Bi8 Si8 -","8","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0402","0.0301","","","0.0733","0.0796","","","","","","1.056","","","","has coordinates","274901","2022-05-04","22:59:59",""
"7710190","6.3994","0.0003","18.2817","0.001","16.9616","0.0009","90","","95.753","0.004","90","","1974.38","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Bi P -","- C20 H28 Bi P -","- C80 H112 Bi4 P4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0284","0.0214","","","0.0475","0.0504","","","","","","1.047","","","","has coordinates","274901","2022-05-04","22:59:59",""
"7710191","10.1342","0.001","8.4111","0.001","31.257","0.003","90","","98.857","0.008","90","","2632.6","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Bi P Si -","- C25 H40 Bi P Si -","- C100 H160 Bi4 P4 Si4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0265","0.0195","","","0.0482","0.0499","","","","","","0.993","","","","has coordinates,has disorder","274901","2022-05-04","22:59:59",""
"7710192","10.1538","0.0003","8.4878","0.0002","31.1727","0.001","90","","98.745","0.002","90","","2655.34","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 As Bi Si -","- C25 H40 As Bi Si -","- C100 H160 As4 Bi4 Si4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0371","0.0282","","","0.0642","0.0669","","","","","","1.05","","","","has coordinates,has disorder","274901","2022-05-04","22:59:59",""
"7710193","10.01","0.002","8.3035","0.0019","30.855","0.006","90","","97.675","0.016","90","","2541.6","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 As Bi -","- C26 H40 As Bi -","- C104 H160 As4 Bi4 -","4","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0284","0.0238","","","0.0629","0.0641","","","","","","1.071","","","","has coordinates","274901","2022-05-04","22:59:59",""
"7710194","9.8036","0.0004","11.5319","0.0005","13.3134","0.0005","77.045","0.003","75.373","0.003","65.976","0.003","1317.59","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 Bi Sb -","- C30 H32 Bi Sb -","- C60 H64 Bi2 Sb2 -","2","1","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0456","0.0318","","","0.0719","0.0762","","","","","","1.026","","","","has coordinates","274901","2022-05-04","22:59:59",""
"7710195","17.2923","0.0013","9.4485","0.0005","31.273","0.002","90","","96.938","0.006","90","","5072.2","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Bi P -","- C26 H40 Bi P -","- C208 H320 Bi8 P8 -","8","2","","Dunaj, Tobias; Dollberg, Kevin; von Hänisch, Carsten","Binary interpnictogen compounds bearing diaryl bismuth fragments bound to all lighter pnictogens","Dalton Transactions","2022","","","","","10.1039/D2DT00472K","","x-ray","0.71073","MoKα","","0.0521","0.03","","","0.063","0.0695","","","","","","1.012","","","","has coordinates","274901","2022-05-04","22:59:59",""
"7710196","12.479","0.004","12.682","0.004","12.995","0.003","94.487","0.01","104.937","0.009","90.671","0.011","1979.9","1","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Cl N4 O14 Ru2 S -","- C30 H38 Cl N4 O12 Ru2 S -","- C60 H76 Cl2 N8 O24 Ru4 S2 -","2","1","","Dey, Sanchaita; Hazari, Arijit Singha; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Diruthenium and triruthenium compounds of potential redox active non-chelated 1-N,1-N-benzothiadiazole bridge","Dalton Transactions","2022","","","","","10.1039/D2DT00533F","","","0.71073","MoKα","","0.0363","0.0308","","","0.0796","0.0874","","","","","","1.1047","","","","has coordinates,has disorder","274902","2022-05-04","23:02:33",""
"7710197","14.9761","0.0004","19.02","0.0005","19.8607","0.0003","115.273","0.002","97.684","0.002","90.042","0.002","5059.2","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C39.05 H42.55 Cl4.01 N6 O11.89 Ru2 S3 -","- C38.0505 H40.553 Cl2.005 N6 O11.887 Ru2 S3 -","- C152.202 H162.212 Cl8.02 N24 O47.548 Ru8 S12 -","4","2","","Dey, Sanchaita; Hazari, Arijit Singha; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Diruthenium and triruthenium compounds of potential redox active non-chelated 1-N,1-N-benzothiadiazole bridge","Dalton Transactions","2022","","","","","10.1039/D2DT00533F","","","0.71073","MoKα","","0.1115","0.0858","","","0.2247","0.2442","","","","","","1.052","","","","has coordinates,has disorder","274902","2022-05-04","23:02:33",""
"7710198","17.3975","0.0018","17.3975","0.0018","31.318","0.004","90","","90","","90","","9479.1","1.8","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26.5 Cl2 N5 O8.5 Zn -","- C18 H26 Cl2 N5 O8.25 Zn -","- C288 H416 Cl32 N80 O132 Zn16 -","16","1","","Garau, Alessandra; Picci, Giacomo; Bencini, Andrea; Caltagirone, Claudia; Conti, Luca; Paoli, Paola; Lippolis, Vito; Romano, Giammarco Maria; Rossi, Patrizia; Scorciapino, Mariano A.","Glyphosate sensing in aqueous solutions by fluorescent zinc(II) complexes of [9]aneN3-based receptors","Dalton Transactions","2022","","","","","10.1039/D2DT00738J","","","1.54178","CuKα","","0.1347","0.1049","","","0.2813","0.3117","","","","","","1.088","","","","has coordinates,has disorder","275084","2022-05-05","22:49:30",""
"7710199","17.2932","0.0004","17.2932","0.0004","41.5378","0.0012","90","","90","","90","","12422.1","0.5","100","2","100","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H56 N44 Ni4 -","- C48 H56 N44 Ni4 -","- C384 H448 N352 Ni32 -","8","0.25","","Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00221C","","","1.54178","CuKα","","0.0604","0.0429","","","0.1087","0.1196","","","","","","1.047","","","","has coordinates","275085","2022-05-05","22:50:29",""
"7710200","19.7747","0.0006","19.7747","0.0006","48.334","0.002","90","","90","","120","","16368.3","1","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C94.3 H63 Cl3 N42 Ni3 O10.6 -","- C94.302 H63 Cl3 N42 Ni3 O10.596 -","- C565.812 H378 Cl18 N252 Ni18 O63.576 -","6","0.333333","","Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00221C","","","1.54178","CuKα","","0.0946","0.0789","","","0.2375","0.2548","","","","","","1.081","","","","has coordinates,has disorder","275085","2022-05-05","22:50:30",""
"7710201","15.383","0.003","22.053","0.004","18.065","0.003","90","","95.41","0.007","90","","6101.1","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H65 Cl2 Co N6 Ni3 O24 -","- C56 H65 Cl2 Co N6 Ni3 O24 -","- C224 H260 Cl8 Co4 N24 Ni12 O96 -","4","1","","Pilichos, Evangelos; Font-Bardia, Merce; Cano, Joan; Escuer, Albert; Mayans, Julia","Slow magnetic relaxation for cobalt(II) complexes in axial bipyramidal environment: an S = ½ spin case","Dalton Transactions","2022","","","","","10.1039/D2DT00880G","","","0.71073","MoKα","","0.0792","0.0486","","","0.1113","0.1375","","","","","","1.137","","","","has coordinates","275086","2022-05-05","22:51:15",""
"7710202","16.1923","0.0009","17.1783","0.001","20.162","0.0009","90.243","0.002","90.262","0.002","109.057","0.002","5300.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C196 H260 Cl8 Co4 Cu8 N16 O78 -","- C196 H258 Cl8 Co4 Cu8 N16 O78 -","- C196 H258 Cl8 Co4 Cu8 N16 O78 -","1","1","","Pilichos, Evangelos; Font-Bardia, Merce; Cano, Joan; Escuer, Albert; Mayans, Julia","Slow magnetic relaxation for cobalt(II) complexes in axial bipyramidal environment: an S = ½ spin case","Dalton Transactions","2022","","","","","10.1039/D2DT00880G","","","0.71073","MoKα","","0.0693","0.0607","","","0.1542","0.1629","","","","","","1.039","","","","has coordinates","275086","2022-05-05","22:51:15",""
"7710203","7.5907","0.0002","8.1774","0.0002","25.5929","0.0006","90","","90.031","0.001","90","","1588.61","0.07","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H36 Cl Mn N8 O2 -","- C34 H36 Cl Mn N8 O2 -","- C68 H72 Cl2 Mn2 N16 O4 -","2","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0496","0.0362","","","0.0856","0.0919","","","","","","1.035","","","","has coordinates","275154","2022-05-06","22:52:12",""
"7710204","7.9902","0.0004","23.838","0.0013","20.913","0.0011","90","","97.774","0.001","90","","3946.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl Mn N10 O6 -","- C38 H42 Cl Mn N10 O6 -","- C152 H168 Cl4 Mn4 N40 O24 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0713","0.0535","","","0.1234","0.1332","","","","","","1.042","","","","has coordinates,has disorder","275154","2022-05-06","22:52:13",""
"7710205","7.6419","0.0002","8.2294","0.0002","25.7208","0.0006","90","","91.263","0.001","90","","1617.14","0.07","240","2","240","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H36 Cl Mn N8 O2 -","- C34 H36 Cl Mn N8 O2 -","- C68 H72 Cl2 Mn2 N16 O4 -","2","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0608","0.0509","","","0.0974","0.101","","","","","","1.169","","","","has coordinates","275154","2022-05-06","22:52:13",""
"7710206","19.096","0.002","10.6565","0.0014","17.243","0.002","90","","90","","90","","3508.9","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C34 H36 F6 Mn N8 O2 P -","- C34 H36 F6 Mn N8 O2 P -","- C136 H144 F24 Mn4 N32 O8 P4 -","4","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0708","0.04","","","0.0867","0.1004","","","","","","1.024","","","","has coordinates","275154","2022-05-06","22:52:13",""
"7710207","8.1393","0.0004","23.3849","0.001","20.7547","0.0009","90","","101.029","0.003","90","","3877.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B F4 Mn N9 O2 -","- C36 H39 B F4 Mn N9 O2 -","- C144 H156 B4 F16 Mn4 N36 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Sarkar, Debopam; Herchel, Radovan; Mondal, Abhishake","Impact of counter anions on spin-state switching of manganese(iii) complexes containing an azobenzene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00660J","","","0.71073","MoKα","","0.0899","0.061","","","0.1532","0.1707","","","","","","1.025","","","","has coordinates,has disorder","275154","2022-05-06","22:52:13",""
"7710208","9.0576","0.0008","9.9193","0.0007","15.8622","0.0013","90","","90","","90","","1425.1","0.2","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Co3 Cs2 O16 S4 -","- Co3 Cs2 O16 S4 -","- Co12 Cs8 O64 S16 -","4","1","","Nekrasova, Diana O.; Mentré, Olivier; Siidra, Oleg I.; Henry, Natacha; Colmont, Marie","Multiple dimensionalities in A2M3(SO4)4 (A = Rb, Cs; M = Co, Ni) analogues","Dalton Transactions","2022","","","","","10.1039/D1DT04202E","","x-ray","0.56086","AgKα","","0.0483","0.0328","","","0.0536","0.0596","","","","","","1.072","","","","has coordinates","275284","2022-05-09","22:54:28",""
"7710209","9.2661","0.0015","8.5703","0.0013","9.2865","0.0015","90","","119.009","0.003","90","","644.95","0.18","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ni3 O16 Rb2 S4 -","- Ni3 O16 Rb2 S4 -","- Ni6 O32 Rb4 S8 -","2","0.5","","Nekrasova, Diana O.; Mentré, Olivier; Siidra, Oleg I.; Henry, Natacha; Colmont, Marie","Multiple dimensionalities in A2M3(SO4)4 (A = Rb, Cs; M = Co, Ni) analogues","Dalton Transactions","2022","","","","","10.1039/D1DT04202E","","x-ray","0.71073","MoKα","","0.0544","0.0322","","","0.0576","0.0626","","","","","","1.047","","","","has coordinates","275284","2022-05-09","22:54:29",""
"7710210","9.3678","0.0004","8.6386","0.0003","9.3763","0.0006","90","","119.166","0.001","90","","662.57","0.06","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Co3 O16 Rb2 S4 -","- Co3 O16 Rb2 S4 -","- Co6 O32 Rb4 S8 -","2","0.5","","Nekrasova, Diana O.; Mentré, Olivier; Siidra, Oleg I.; Henry, Natacha; Colmont, Marie","Multiple dimensionalities in A2M3(SO4)4 (A = Rb, Cs; M = Co, Ni) analogues","Dalton Transactions","2022","","","","","10.1039/D1DT04202E","","x-ray","0.71073","MoKα","","0.0714","0.0365","","","0.0655","0.0742","","","","","","1.013","","","","has coordinates","275284","2022-05-09","22:54:29",""
"7710211","5.399","0.002","18.34","0.007","7.596","0.003","90","","104.581","0.008","90","","727.9","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Ni3 O16 S4 -","- Cs2 Ni3 O16 S4 -","- Cs4 Ni6 O32 S8 -","2","0.5","","Nekrasova, Diana O.; Mentré, Olivier; Siidra, Oleg I.; Henry, Natacha; Colmont, Marie","Multiple dimensionalities in A2M3(SO4)4 (A = Rb, Cs; M = Co, Ni) analogues","Dalton Transactions","2022","","","","","10.1039/D1DT04202E","","x-ray","0.71073","MoKα","","0.0614","0.0409","","","0.0875","0.0955","","","","","","1.056","","","","has coordinates","275284","2022-05-09","22:54:29",""
"7710212","30.7296","0.0012","19.6924","0.0008","23.991","0.0008","90","","126.944","0.001","90","","11603","0.8","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H88 F9 N8 O17 Rh4 S3 -","- C87 H88 F9 N8 O17 Rh4 S3 -","- C348 H352 F36 N32 O68 Rh16 S12 -","4","0.5","","Bai, Sha; Wang, Li-Feng; Wu, Zhen-Wei; Feng, Ting; Han, Ying-Feng","Supramolecular-controlled regioselective photochemical [4+4] cycloaddition within Cp*Rh-based metallarectangles","Dalton Transactions","2022","","","","","10.1039/D2DT01094A","","","0.71073","MoKα","","0.1206","0.0887","","","0.247","0.2802","","","","","","1.043","","","","has coordinates,has disorder","275308","2022-05-10","22:48:20",""
"7710213","23.3105","0.0009","22.2812","0.0008","22.7128","0.0007","90","","100.348","0.001","90","","11604.8","0.7","199.99","","199.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H102 F12 N10 O22 Rh4 S4 -","- C94 H102 F12 N10 O22 Rh4 S4 -","- C376 H408 F48 N40 O88 Rh16 S16 -","4","1","","Bai, Sha; Wang, Li-Feng; Wu, Zhen-Wei; Feng, Ting; Han, Ying-Feng","Supramolecular-controlled regioselective photochemical [4+4] cycloaddition within Cp*Rh-based metallarectangles","Dalton Transactions","2022","","","","","10.1039/D2DT01094A","","","0.71073","MoKα","","0.0964","0.059","","","0.1476","0.1665","","","","","","1.027","","","","has coordinates","275308","2022-05-10","22:48:21",""
"7710214","24.277","0.007","22.228","0.006","41.74","0.03","90","","90","","90","","22524","18","192","","192","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H98 F24 N6 O8 P4 Rh4 -","- C96 H98 F24 N6 O8 P4 Rh4 -","- C768 H784 F192 N48 O64 P32 Rh32 -","8","1","","Bai, Sha; Wang, Li-Feng; Wu, Zhen-Wei; Feng, Ting; Han, Ying-Feng","Supramolecular-controlled regioselective photochemical [4+4] cycloaddition within Cp*Rh-based metallarectangles","Dalton Transactions","2022","","","","","10.1039/D2DT01094A","","","0.71073","MoKα","","0.103","0.0596","","","0.1558","0.1834","","","","","","1.014","","","","has coordinates","275308","2022-05-10","22:48:21",""
"7710215","16.2413","0.0003","10.28157","0.00016","26.8395","0.0006","90","","96.2607","0.0017","90","","4455.09","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4b","","","- C29 H20 N P Si -","- C29 H20 N P Si -","- C232 H160 N8 P8 Si8 -","8","2","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","1.54186","CuKα","","0.0599","0.0345","","","0.0743","0.0788","","","","","","0.868","","","","has coordinates","275309","2022-05-10","22:51:34",""
"7710216","10.987","0.003","12.762","0.004","13.078","0.004","70.2","0.005","79.194","0.005","65.299","0.005","1565.2","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","7","","","- C64 H50 Cl10 Hg2 N2 O P2 Si2 -","- C64 H50 Cl10 Hg2 N2 O P2 Si2 -","- C64 H50 Cl10 Hg2 N2 O P2 Si2 -","1","0.5","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0885","0.0553","","","0.1261","0.144","","","","","","1.023","","","","has coordinates,has disorder","275309","2022-05-10","22:51:34",""
"7710217","18.045","0.01","16.625","0.006","19.776","0.009","90","","107.72","0.03","90","","5651","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","15","","","- C62 H49 Br4 Cd2 N3 O P2 Si2 -","- C62 H49 Br4 Cd2 N3 O P2 Si2 -","- C248 H196 Br16 Cd8 N12 O4 P8 Si8 -","4","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.49594","synchrotron","","0.0793","0.0465","","","0.1055","0.1202","","","","","","1.013","","","","has coordinates,has disorder","275309","2022-05-10","22:51:35",""
"7710218","12.633","0.0015","13.5711","0.0016","18.252","0.003","103.273","0.002","108.51","0.002","92.932","0.002","2861.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","12","","","- C58.5 H40.5 Cl7.5 Hg2 N2 P2 Si2 Zn -","- C58.5 H40.5 Cl7.5 Hg2 N2 P2 Si2 Zn -","- C117 H81 Cl15 Hg4 N4 P4 Si4 Zn2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0939","0.056","","","0.1231","0.1424","","","","","","1.046","","","","has coordinates,has disorder","275309","2022-05-10","22:51:35",""
"7710219","10.809","0.006","12.499","0.006","13.559","0.007","107.939","0.009","92.021","0.009","106.849","0.009","1652.3","1.5","240","2","240","2","","","","","","","","10","P -1","-P 1","2","","","","- C31 H21 Au Cl3 F3 N O3 P S Si -","- C31 H21 Au Cl3 F3 N O3 P S Si -","- C62 H42 Au2 Cl6 F6 N2 O6 P2 S2 Si2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0898","0.0569","","","0.1081","0.1225","","","","","","1.095","","","","has coordinates","275309","2022-05-10","22:51:35",""
"7710220","7.9479","0.0003","21.8833","0.0008","14.4641","0.0005","90","","90.065","0.003","90","","2515.69","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4ea","","","- C31 H24 N O P Si -","- C31 H24 N O P Si -","- C124 H96 N4 O4 P4 Si4 -","4","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","1.54186","CuKα","","0.0617","0.0457","","","0.1159","0.1244","","","","","","0.995","","","","has coordinates,has disorder","275309","2022-05-10","22:51:35",""
"7710221","8.381","0.003","10.216","0.003","14.463","0.005","110.247","0.004","96.711","0.006","98.434","0.005","1130.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4a","","","- C29 H20 N P Si -","- C29 H20 N P Si -","- C58 H40 N2 P2 Si2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.1095","0.0706","","","0.1737","0.1884","","","","","","1.027","","","","has coordinates,has disorder","275309","2022-05-10","22:51:35",""
"7710222","10.0209","0.0003","11.1466","0.0004","11.3056","0.0003","90.483","0.003","101.156","0.003","104.033","0.003","1199.95","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","6","","","- C29 H20 Au Cl N P Si -","- C29 H20 Au Cl N P Si -","- C58 H40 Au2 Cl2 N2 P2 Si2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0566","0.0349","","","0.0554","0.0592","","","","","","0.946","","","","has coordinates","275309","2022-05-10","22:51:35",""
"7710223","18.813","0.004","15.236","0.004","28.871","0.007","90","","108.057","0.004","90","","7868","3","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","14","","","- C62 H44 Cl12 Hg2 I6 N2 P2 Si2 Zn -","- C60 H42 Cl6 Hg2 I6 N2 P2 Si2 Zn -","- C240 H168 Cl24 Hg8 I24 N8 P8 Si8 Zn4 -","4","0.5","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0524","0.0356","","","0.0756","0.0833","","","","","","1.039","","","","has coordinates","275309","2022-05-10","22:51:35",""
"7710224","10.6987","0.001","16.5151","0.0016","20.3979","0.0019","105.147","0.004","101.118","0.004","105.579","0.004","3214.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","10b","","","- C61 H43 Au2 Cl13 N2 P2 Si2 Zn -","- C61 H43 Au2 Cl13 N2 P2 Si2 Zn -","- C122 H86 Au4 Cl26 N4 P4 Si4 Zn2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.0955","0.0572","","","0.1356","0.158","","","","","","1.019","","","","has coordinates,has disorder","275309","2022-05-10","22:51:35",""
"7710225","17.981","0.018","18.767","0.016","19.161","0.016","100.034","0.003","99.951","0.004","103.892","0.01","6023","9","100","2","100","2","","","","","","","","10","P -1","-P 1","2","9","","","- C139.75 H104 Cl3 F6 N4 O6 P4 S2 Si4 Zn -","- C136 H95 Cl3 F6 N4 O6 P4 S2 Si4 Zn -","- C272 H190 Cl6 F12 N8 O12 P8 S4 Si8 Zn2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.56356","synchrotron","","0.0758","0.0661","","","0.1918","0.2021","","","","","","1.038","","","","has coordinates,has disorder","275309","2022-05-10","22:51:36",""
"7710226","11.216","0.005","25.174","0.005","19.437","0.004","90","","90","","90","","5488","3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","8","","","- C59.59 H41.59 Cl6.78 N2 P2 Si2 Zn -","- C59.5936 H41.5936 Cl6.782 N2 P2 Si2 Zn -","- C238.374 H166.374 Cl27.128 N8 P8 Si8 Zn4 -","4","0.5","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.56356","synchrotron","","0.0382","0.035","","","0.0962","0.0994","","","","","","1.063","","","","has coordinates,has disorder","275309","2022-05-10","22:51:36",""
"7710227","10.717","0.004","11.724","0.004","22.029","0.007","93.404","0.006","91.492","0.006","95.551","0.006","2748.6","1.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","13","","","- C58 H40 Br6 Hg2 N2 P2 Si2 Zn -","- C58 H40 Br6 Hg2 N2 P2 Si2 Zn -","- C116 H80 Br12 Hg4 N4 P4 Si4 Zn2 -","2","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.1185","0.0581","","","0.1211","0.1466","","","","","","1.038","","","","has coordinates","287939","2023-12-01","16:52:17",""
"7710228","22.338","0.005","11.733","0.003","24.598","0.006","90","","105.717","0.004","90","","6206","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","10a","","","- C60 H42 Au2 Cl10 N2 P2 Si2 Zn -","- C58 H40 Au2 Cl4 N2 P2 Si2 Zn -","- C232 H160 Au8 Cl16 N8 P8 Si8 Zn4 -","4","1","","Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli","Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry","Dalton Transactions","2022","","","","","10.1039/D2DT00728B","","","0.71073","MoKα","","0.1042","0.0595","","","0.121","0.1403","","","","","","1.032","","","","has coordinates","275309","2022-05-10","22:51:36",""
"7710229","9.4999","0.0002","11.1632","0.0002","16.1816","0.0004","90.716","0.002","94.053","0.002","101.225","0.002","1678.41","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H98 Ge2 N4 -","- C72 H98 Ge2 N4 -","- C72 H98 Ge2 N4 -","1","0.5","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","0.71073","MoKα","","0.0419","0.037","","","0.0978","0.0998","","","","","","1.035","","","","has coordinates","275310","2022-05-10","22:54:18",""
"7710230","13.0014","0.0004","15.9395","0.0004","17.9934","0.0004","82.276","0.002","70.961","0.002","68.515","0.003","3279.49","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H96 N4 O4 Si2 -","- C70 H96 N4 O4 Si2 -","- C140 H192 N8 O8 Si4 -","2","1","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54184","CuKα","","0.0579","0.0487","","","0.1291","0.1363","","","","","","1.05","","","","has coordinates","275310","2022-05-10","22:54:19",""
"7710231","30.0835","0.0004","11.3217","0.0001","19.9786","0.0002","90","","90","","90","","6804.64","0.13","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H94 N4 O7 Si2 -","- C72 H94 N4 O7 Si2 -","- C288 H376 N16 O28 Si8 -","4","1","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54178","CuKα","","0.0807","0.079","","","0.2004","0.2014","","","","","","1.111","","","","has coordinates,has disorder","275310","2022-05-10","22:54:19",""
"7710232","21.7199","0.0002","18.5462","0.0001","19.8655","0.0002","90","","111.551","0.001","90","","7442.82","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76.5 H108 N4 Si2 -","- C76.5 H108 N4 Si2 -","- C306 H432 N16 Si8 -","4","1","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54184","CuKα","","0.0726","0.0658","","","0.1982","0.2048","","","","","","1.056","","","","has coordinates","275310","2022-05-10","22:54:19",""
"7710233","18.1298","0.0002","23.3553","0.0002","18.3185","0.0001","90","","105.822","0.001","90","","7462.68","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H112 Br2 N6 Si2 -","- C80 H112 Br2 N6 Si2 -","- C320 H448 Br8 N24 Si8 -","4","1","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54184","CuKα","","0.0471","0.04","","","0.1008","0.1048","","","","","","1.02","","","","has coordinates,has disorder","275310","2022-05-10","22:54:19",""
"7710234","18.1257","0.0001","23.6945","0.0001","35.2661","0.0001","90","","91.41","0.001","90","","15141.5","0.11","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C82.5 H118 N6 Si2 -","- C82.5 H118 N6 Si2 -","- C660 H944 N48 Si16 -","8","2","","Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron","Facile activation of inert small molecules using a 1,2-disilylene","Dalton Transactions","2022","","","","","10.1039/D2DT00721E","","","1.54178","CuKα","","0.0387","0.0387","","","0.1053","0.1054","","","","","","1.019","","","","has coordinates,has disorder","275310","2022-05-10","22:54:19",""
"7710235","9.5001","0.0005","11.3813","0.0006","12.3018","0.0006","111.211","0.004","92.649","0.004","104.909","0.004","1183.85","0.12","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Hg2 N4 P2 S2 -","- C52 H42 Hg2 N4 P2 S2 -","- C52 H42 Hg2 N4 P2 S2 -","1","0.5","","Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme","Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles","Dalton Transactions","2022","","","","","10.1039/D2DT00391K","","","0.71073","MoKα","","0.0374","0.0284","","","0.0649","0.0687","","","","","","1.02","","","","has coordinates","275311","2022-05-10","22:55:47",""
"7710236","11.161","0.004","8.363","0.003","13.481","0.005","90","","92.388","0.006","90","","1257.2","0.8","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.95 H13.83 Hg N2 O3 S -","- C10.94 H13.82 Hg N2 O3 S -","- C43.76 H55.28 Hg4 N8 O12 S4 -","4","1","","Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme","Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles","Dalton Transactions","2022","","","","","10.1039/D2DT00391K","","","0.71073","MoKα","","0.0734","0.0429","","","0.0922","0.1123","","","","","","0.932","","","","has coordinates,has disorder","275311","2022-05-10","22:55:48",""
"7710237","10.1886","0.0006","10.8397","0.0006","12.3566","0.0006","76.019","0.004","71.357","0.004","72.842","0.004","1219.06","0.12","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Hg N3 O P S -","- C24 H25 Hg N3 O P S -","- C48 H50 Hg2 N6 O2 P2 S2 -","2","1","","Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme","Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles","Dalton Transactions","2022","","","","","10.1039/D2DT00391K","","","0.71073","MoKα","","0.0298","0.0241","","","0.0558","0.0578","","","","","","1.003","","","","has coordinates,has disorder","275311","2022-05-10","22:55:48",""
"7710238","12.4945","0.0007","13.6153","0.0007","13.7342","0.0007","72.695","0.004","83.393","0.004","65.524","0.004","2030.1","0.2","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Cl2 Hg2 N4 P2 S2 -","- C41 H32 Cl2 Hg2 N4 P2 S2 -","- C82 H64 Cl4 Hg4 N8 P4 S4 -","2","1","","Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme","Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles","Dalton Transactions","2022","","","","","10.1039/D2DT00391K","","","0.71073","MoKα","","0.0719","0.0472","","","0.1124","0.1295","","","","","","1.034","","","","has coordinates","275311","2022-05-10","22:55:48",""
"7710239","12.5564","0.0007","13.6816","0.0007","13.8244","0.0008","71.447","0.004","83.165","0.005","64.836","0.004","2037.4","0.2","213","","213","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H38 Hg2 N4 P2 S2 -","- C43 H38 Hg2 N4 P2 S2 -","- C86 H76 Hg4 N8 P4 S4 -","2","1","","Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme","Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles","Dalton Transactions","2022","","","","","10.1039/D2DT00391K","","","0.71073","MoKα","","0.0624","0.0405","","","0.0957","0.1093","","","","","","1.09","","","","has coordinates","275311","2022-05-10","22:55:48",""
"7710240","10.3827","0.0003","12.4422","0.0004","19.4032","0.0006","95.962","0.001","105.472","0.001","110.09","0.001","2215.2","0.12","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 N2 O P3 Rh Si -","- C52 H44 N2 O P3 Rh Si -","- C104 H88 N4 O2 P6 Rh2 Si2 -","2","1","","Vidlak, Julia F.; Cosio, Mario N.; Sriramaneni, Nihal K.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Johnson, Miles W.","Synthesis of pyrrole-based PSiP pincer ligands and their palladium, rhodium, and platinum complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00948J","","","0.71073","MoKα","","0.0335","0.0264","","","0.0602","0.0621","","","","","","1.053","","","","has coordinates","275349","2022-05-11","22:54:21",""
"7710241","9.3937","0.0004","12.221","0.0004","14.1646","0.0005","99.463","0.001","100.96","0.001","111.243","0.001","1438.79","0.09","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl2 N2 P2 Pt -","- C32 H28 Cl2 N2 P2 Pt -","- C64 H56 Cl4 N4 P4 Pt2 -","2","1","","Vidlak, Julia F.; Cosio, Mario N.; Sriramaneni, Nihal K.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Johnson, Miles W.","Synthesis of pyrrole-based PSiP pincer ligands and their palladium, rhodium, and platinum complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00948J","","","0.71073","MoKα","","0.027","0.0244","","","0.054","0.0554","","","","","","1.165","","","","has coordinates","275349","2022-05-11","22:54:22",""
"7710242","9.6243","0.0004","13.5652","0.0005","23.5677","0.001","90","","97.883","0.001","90","","3047.8","0.2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl N2 P2 Pt Si -","- C33 H29 Cl N2 P2 Pt Si -","- C132 H116 Cl4 N8 P8 Pt4 Si4 -","4","1","","Vidlak, Julia F.; Cosio, Mario N.; Sriramaneni, Nihal K.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Johnson, Miles W.","Synthesis of pyrrole-based PSiP pincer ligands and their palladium, rhodium, and platinum complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00948J","","","0.71073","MoKα","","0.0283","0.0222","","","0.0431","0.0443","","","","","","1.061","","","","has coordinates","275349","2022-05-11","22:54:22",""
"7710243","9.6594","0.0003","13.5514","0.0004","23.5488","0.0006","90","","97.838","0.001","90","","3053.7","0.15","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl N2 P2 Pd Si -","- C33 H29 Cl N2 P2 Pd Si -","- C132 H116 Cl4 N8 P8 Pd4 Si4 -","4","1","","Vidlak, Julia F.; Cosio, Mario N.; Sriramaneni, Nihal K.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Johnson, Miles W.","Synthesis of pyrrole-based PSiP pincer ligands and their palladium, rhodium, and platinum complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00948J","","","0.71073","MoKα","","0.0328","0.0247","","","0.0502","0.0524","","","","","","1.064","","","","has coordinates","275349","2022-05-11","22:54:22",""
"7710244","12.117","0.0004","12.5132","0.0004","22.6085","0.0007","87.712","0.002","81.221","0.002","68.836","0.002","3158.86","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 Ga2 I2 N4 Si -","- C64 H88 Ga2 I2 N4 Si -","- C128 H176 Ga4 I4 N8 Si2 -","2","1","","Schoening, Juliane; Ganesamoorthy, Chelladurai; Wölper, Christoph; Solel, Ephrath; Schreiner, Peter R.; Schulz, Stephan","Synthesis, electronic nature, and reactivity of selected silylene carbonyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01335E","","","0.71073","MoKα","","0.0728","0.0478","","","0.1102","0.1212","","","","","","1.099","","","","has coordinates","275350","2022-05-11","22:55:37",""
"7710245","23.796","0.003","10.9213","0.0012","23.597","0.003","90","","99.872","0.003","90","","6041.7","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H85 Br2 Ga2 N5 Si -","- C58 H85 Br2 Ga2 N5 Si -","- C232 H340 Br8 Ga8 N20 Si4 -","4","0.5","","Schoening, Juliane; Ganesamoorthy, Chelladurai; Wölper, Christoph; Solel, Ephrath; Schreiner, Peter R.; Schulz, Stephan","Synthesis, electronic nature, and reactivity of selected silylene carbonyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01335E","","","1.54178","CuKα","","0.0395","0.0393","","","0.0977","0.0978","","","","","","1.37","","","","has coordinates,has disorder","275350","2022-05-11","22:55:38",""
"7710246","10.8429","0.0018","14.778","0.003","20.517","0.004","84.024","0.01","77.522","0.009","77.605","0.009","3129.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H85 Ga2 I2 N4 O Si -","- C62 H85 Ga2 I2 N4 O Si -","- C124 H170 Ga4 I4 N8 O2 Si2 -","2","1","","Schoening, Juliane; Ganesamoorthy, Chelladurai; Wölper, Christoph; Solel, Ephrath; Schreiner, Peter R.; Schulz, Stephan","Synthesis, electronic nature, and reactivity of selected silylene carbonyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01335E","","","0.71073","MoKα","","0.0808","0.0353","","","0.0574","0.068","","","","","","1.002","","","","has coordinates","275350","2022-05-11","22:55:38",""
"7710247","11.8953","0.0003","13.8148","0.0003","19.8705","0.0006","79.3889","0.0014","84.2512","0.0015","66.0199","0.0013","2931.32","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H88 Ga2 N4 O Si -","- C61 H88 Ga2 N4 O Si -","- C122 H176 Ga4 N8 O2 Si2 -","2","1","","Schoening, Juliane; Ganesamoorthy, Chelladurai; Wölper, Christoph; Solel, Ephrath; Schreiner, Peter R.; Schulz, Stephan","Synthesis, electronic nature, and reactivity of selected silylene carbonyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01335E","","","1.54178","CuKα","","0.0298","0.0291","","","0.0768","0.0775","","","","","","1.025","","","","has coordinates,has disorder","275350","2022-05-11","22:55:38",""
"7710248","17.0509","0.0001","17.0509","0.0001","39.5214","0.0004","90","","90","","120","","9950.79","0.13","120","0.1","120","0.1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H84 Cl9 In N6 -","- C54 H84 Cl9 In N6 -","- C324 H504 Cl54 In6 N36 -","6","1","","Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang","0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00925K","","x-ray","1.54184","CuKα","","0.0385","0.0364","","","0.095","0.0963","","","","","","1.053","","","","has coordinates","275351","2022-05-11","22:57:13",""
"7710249","17.0073","0.0002","17.0073","0.0002","39.207","0.0006","90","","90","","120","","9821.2","0.2","100.3","0.8","100.3","0.8","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H84 Cl9 In N6 -","- C54 H84 Cl9 In N6 -","- C324 H504 Cl54 In6 N36 -","6","1","","Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang","0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation","Dalton Transactions","2022","","","","","10.1039/D2DT00925K","","x-ray","0.71073","MoKα","","0.0415","0.0346","","","0.0775","0.0801","","","","","","1.024","","","","has coordinates","275351","2022-05-11","22:57:13",""
"7710250","10.1974","0.0004","12.2711","0.0005","13.8414","0.0005","85.275","0.003","87.856","0.003","70.73","0.004","1629.33","0.12","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Co N10 O11 Yb -","- C26 H16 Co N10 O11 Yb -","- C52 H32 Co2 N20 O22 Yb2 -","2","1","","Karachousos-Spiliotakopoulos, Konstantinos; Tangoulis, Vassilis; Panagiotou, Nikos; Tasiopoulos, Anastasios; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Schulze, Michael; Botas, Alexandre M. P.; Carlos, Luis D.","Luminescence thermometry and field induced slow magnetic relaxation based on a near infrared emissive heterometallic complex","Dalton Transactions","2022","","","","","10.1039/D2DT00936F","","","0.71073","MoKα","","0.048","0.0388","","","0.0797","0.0847","","","","","","1.055","","","","has coordinates","275383","2022-05-12","22:59:35",""
"7710251","12.6542","0.0008","13.2334","0.0008","21.8815","0.0009","85.739","0.004","87.26","0.004","61.849","0.006","3221.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H79 La N6 O24 Zn2 -","- C63 H63 La N6 O21 Zn2 -","- C126 H126 La2 N12 O42 Zn4 -","2","1","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","","0.71073","MoKα","","0.0683","0.0509","","","0.1219","0.1359","","","","","","1.057","","","","has coordinates","275384","2022-05-12","23:02:53",""
"7710252","12.693","0.003","13.251","0.003","21.93","0.006","86","0.001","87.608","0.001","61.616","0.006","3237","1.4","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H71 Ce N6 O23 Zn2 -","- C63 H63 Ce N6 O21 Zn2 -","- C126 H126 Ce2 N12 O42 Zn4 -","2","1","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","","0.7107","MoKα","","0.0861","0.0717","","","0.1303","0.1374","","","","","","1.15","","","","has coordinates","275384","2022-05-12","23:02:54",""
"7710253","22.6246","0.0016","12.9505","0.0006","24.2392","0.0015","90","","111.889","0.007","90","","6590.1","0.8","150","0.1","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H64 Dy N6 O22.5 Zn2 -","- C62 H60 Dy N6 O21.5 Zn2 -","- C248 H240 Dy4 N24 O86 Zn8 -","4","0.5","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","","0.71073","MoKα","","0.0661","0.0484","","","0.1287","0.1425","","","","","","1.029","","","","has coordinates,has disorder","275384","2022-05-12","23:02:54",""
"7710254","12.784","0.0016","13.1615","0.0017","22.061","0.003","85.513","0.004","87.341","0.004","61.328","0.004","3246.6","0.7","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H71 N6 O23 Tb Zn2 -","- C62 H59 N6 O20 Tb Zn2 -","- C124 H118 N12 O40 Tb2 Zn4 -","2","1","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","","0.71073","MoKα","","0.0478","0.0343","","","0.0774","0.083","","","","","","1.03","","","","has coordinates,has disorder","275384","2022-05-12","23:02:54",""
"7710255","12.7211","0.001","13.1975","0.0011","21.9778","0.0012","85.982","0.006","87.403","0.005","61.234","0.009","3226.2","0.5","150","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H71 N6 O24 Sm Zn2 -","- C62 H59 N6 O20 Sm Zn2 -","- C124 H118 N12 O40 Sm2 Zn4 -","2","1","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","x-ray","0.71073","MoKα","","0.0867","0.0527","","","0.113","0.1277","","","","","","1.042","","","","has coordinates","275384","2022-05-12","23:02:54",""
"7710256","12.7538","0.0003","13.2632","0.0003","22.0875","0.0003","85.715","0.002","87.298","0.002","61.566","0.003","3276.05","0.15","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H71 N6 Nd O23 Zn2 -","- C62 H59 N6 Nd O20 Zn2 -","- C124 H118 N12 Nd2 O40 Zn4 -","2","1","","Ahmed, Naushad; Ansari, Kamal Uddin","Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT00926A","","","0.71073","MoKα","","0.0616","0.0431","","","0.1014","0.1108","","","","","","1.048","","","","has coordinates","275384","2022-05-12","23:02:54",""
"7710257","7.6065","0.0001","13.8332","0.0001","10.7154","0.0001","90","","105.49","0.001","90","","1086.54","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","PK09","dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldiphenylphosphine)ruthenium(II)","","- C23 H27 Cl2 O P Ru -","- C23 H27 Cl2 O P Ru -","- C46 H54 Cl4 O2 P2 Ru2 -","2","1","","Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco","Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT01055K","","","1.54184","CuKα","","0.0173","0.0173","","","0.0462","0.0462","","","","","","1.108","","","","has coordinates","275385","2022-05-12","23:04:34",""
"7710258","9.66","0.0001","11.1867","0.0001","23.5077","0.0003","90","","92.598","0.001","90","","2537.71","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldi[4-methoxybenzene]phosphine)ruthenium(II)","","- C25 H31 Cl2 O3 P Ru -","- C25 H31 Cl2 O3 P Ru -","- C100 H124 Cl8 O12 P4 Ru4 -","4","1","","Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco","Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT01055K","","x-ray","0.71073","MoKα","","0.0471","0.0305","","","0.0626","0.0708","","","","","","1.069","","","","has coordinates","275385","2022-05-12","23:04:35",""
"7710259","8.5562","0.0002","20.6545","0.0006","13.9418","0.0002","90","","92.251","0.002","90","","2461.95","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","dichloro(η5-[pentamethylcyclopentadienyl]))(hydroxymethyldi[4-methoxybenzene]phosphine)iridium(III)","","- C25 H32 Cl2 Ir O3 P -","- C25 H32 Cl2 Ir O3 P -","- C100 H128 Cl8 Ir4 O12 P4 -","4","1","","Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco","Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT01055K","","x-ray","1.54184","CuKα","","0.0443","0.0394","","","0.1008","0.1036","","","","","","1.095","","","","has coordinates","275385","2022-05-12","23:04:35",""
"7710260","10.5605","0.0001","17.1832","0.0002","12.7618","0.0001","90","","93.613","0.001","90","","2311.19","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 Ir O P -","- C23 H28 Cl2 Ir O P -","- C92 H112 Cl8 Ir4 O4 P4 -","4","1","","Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco","Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT01055K","","","0.71073","MoKα","","0.0328","0.0218","","","0.0412","0.0449","","","","","","1.075","","","","has coordinates,has disorder","275385","2022-05-12","23:04:35",""
"7710261","21.5627","0.0005","13.6523","0.0004","14.0315","0.0004","90","","103.059","0.003","90","","4023.8","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Co(L1SO2)(phen)](SbF6)2","","- C31.13 H33.96 Co F12 N6.43 O2.57 S Sb2 -","- C31.132 H33.962 Co F12 N6.434 O2.566 S Sb2 -","- C124.528 H135.848 Co4 F48 N25.736 O10.264 S4 Sb8 -","4","1","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Probing the redox-conversion of Co(ii)-disulfide to Co(iii)-thiolate complexes: the effect of ligand-field strength","Dalton Transactions","2022","","","","","10.1039/D2DT00356B","","","0.71073","MoKα","","0.0551","0.0393","","","0.0924","0.102","","","","","","1.038","","","","has coordinates,has disorder","275422","2022-05-13","22:57:32",""
"7710262","15.7651","0.0007","11.9665","0.0005","19.6343","0.0008","90","","103.345","0.004","90","","3604.1","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Br4 Co2 N6 O S2 -","- C29 H36 Br4 Co2 N6 O S2 -","- C116 H144 Br16 Co8 N24 O4 S8 -","4","1","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Probing the redox-conversion of Co(ii)-disulfide to Co(iii)-thiolate complexes: the effect of ligand-field strength","Dalton Transactions","2022","","","","","10.1039/D2DT00356B","","","0.71073","MoKα","","0.0713","0.0459","","","0.0987","0.1096","","","","","","1.044","","","","has coordinates,has disorder","275422","2022-05-13","22:57:33",""
"7710263","19.0139","0.0007","20.1121","0.0007","27.0156","0.0013","90","","108.171","0.004","90","","9815.8","0.7","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C102 H100 B2 Cl2 Co2 N10 O2.42 S2 -","- C102 H100 B2 Cl2 Co2 N10 O2.419 S2 -","- C408 H400 B8 Cl8 Co8 N40 O9.676 S8 -","4","0.5","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Probing the redox-conversion of Co(ii)-disulfide to Co(iii)-thiolate complexes: the effect of ligand-field strength","Dalton Transactions","2022","","","","","10.1039/D2DT00356B","","","0.71073","MoKα","","0.063","0.0428","","","0.0952","0.1054","","","","","","1.023","","","","has coordinates,has disorder","275422","2022-05-13","22:57:33",""
"7710264","18.2692","0.0008","10.018","0.0004","23.2815","0.0008","90","","90","","90","","4261","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","n/a","n/a","","- C48 H40 Cl2 Fe O2 P4 -","- C48 H40 Cl2 Fe O2 P4 -","- C192 H160 Cl8 Fe4 O8 P16 -","4","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.0544","0.038","","","0.0784","0.085","","","","","","1.016","","","","has coordinates","275423","2022-05-13","22:58:58",""
"7710265","8.9878","0.0011","16.301","0.002","16.7718","0.0018","90","","102.113","0.009","90","","2402.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","n/a","n/a","","- C24 H20 Au2 Cl2 O P2 -","- C24 H20 Au2 Cl2 O P2 -","- C96 H80 Au8 Cl8 O4 P8 -","4","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.0379","0.0297","","","0.0698","0.0731","","","","","","1.025","","","","has coordinates","275423","2022-05-13","22:58:58",""
"7710266","10.708","0.006","12.106","0.008","12.285","0.004","112.48","0.04","96.83","0.04","104.09","0.04","1386.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","n/a","n/a","","- C54 H49 Cu2 F12 N3 O2 P6 -","- C54 H49 Cu2 F12 N3 O2 P6 -","- C54 H49 Cu2 F12 N3 O2 P6 -","1","0.5","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.0857","0.0553","","","0.144","0.1596","","","","","","1.054","","","","has coordinates,has disorder","275423","2022-05-13","22:58:58",""
"7710267","10.0759","0.0011","10.3953","0.0013","16.487","0.002","87.021","0.011","86.896","0.01","81.16","0.04","1702.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","n/a","n/a","","- C34 H40 Cl3 O3.5 P2 Y -","- C34 H40 Cl3 O3.5 P2 Y -","- C68 H80 Cl6 O7 P4 Y2 -","2","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.1143","0.0751","","","0.1715","0.2175","","","","","","1.035","","","","has coordinates,has disorder","275423","2022-05-13","22:58:59",""
"7710268","20.9822","0.0006","15.6904","0.0003","35.7489","0.001","90","","102.18","0.002","90","","11504.3","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","n/a","n/a","","- C52.28 H44.56 Au2 Cl4.56 F6 O8 P4 S2 -","- C52.28 H44.56 Au2 Cl4.561 F6 O8 P4 S2 -","- C418.24 H356.48 Au16 Cl36.488 F48 O64 P32 S16 -","8","1","","Flecken, Franziska; Grell, Toni; Hanf, Schirin","Transition metal complexes of the PPO/POP ligand: variable coordination chemistry and photo-luminescence properties","Dalton Transactions","2022","","","","","10.1039/D2DT01091G","","","0.71073","MoKα","","0.0469","0.036","","","0.0901","0.0958","","","","","","1.058","","","","has coordinates,has disorder","275423","2022-05-13","22:58:59",""
"7710269","15.6543","0.0017","19.469","0.003","23.229","0.003","90","","90","","90","","7079.6","1.6","150","","150.01","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C112 H160 Fe8 Ge8 Na7 O52 -","- C112 H160 Fe8 Ge8 Na7 O52 -","- C224 H320 Fe16 Ge16 Na14 O104 -","2","0.125","","Schnepf, Andreas; Schrenk, Claudio; Preißing, Lars","{Ge8[Fe(CO)4]8}7−: An Anionic Cubic Germanium-Iron-Cluster Featuring an Unpaired Electron.","Dalton Transactions","2022","","","","","10.1039/D2DT01090A","","","0.71073","MoKα","","0.0679","0.0571","","","0.1605","0.1675","","","","","","1.146","","","","has coordinates,has disorder","275424","2022-05-13","22:59:45",""
"7710270","21.6285","0.0005","10.8549","0.0002","21.1559","0.0004","90","","103.708","0.001","90","","4825.4","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Mg N2 O3 -","- C60 H60 Mg N2 O3 -","- C240 H240 Mg4 N8 O12 -","4","1","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0967","0.0667","","","0.135","0.1505","","","","","","1.075","","","","has coordinates,has disorder","275463","2022-05-16","22:58:47",""
"7710271","9.7312","0.0013","12.4502","0.0015","13.6436","0.0017","99.627","0.005","108.743","0.006","104.168","0.006","1462.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H72 N2 O2 Sr -","- C74 H72 N2 O2 Sr -","- C74 H72 N2 O2 Sr -","1","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0653","0.0454","","","0.0932","0.1003","","","","","","1.029","","","","has coordinates","275463","2022-05-16","22:58:48",""
"7710272","9.7673","0.0003","11.2864","0.0004","11.33","0.0003","62.604","0.002","82.371","0.002","86.915","0.001","1099.06","0.06","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 Ca N2 O2 -","- C56 H52 Ca N2 O2 -","- C56 H52 Ca N2 O2 -","1","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0892","0.0698","","","0.1487","0.1617","","","","","","1.055","","","","has coordinates,has disorder","275463","2022-05-16","22:58:48",""
"7710273","27.9665","0.0005","17.3376","0.0004","18.954","0.0005","90","","124.62","0.001","90","","7563","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H53 Mg N O2 -","- C45 H53 Mg N O2 -","- C360 H424 Mg8 N8 O16 -","8","1","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.1228","0.0884","","","0.1939","0.2154","","","","","","1.079","","","","has coordinates,has disorder","275463","2022-05-16","22:58:48",""
"7710274","11.6149","0.0002","11.8127","0.0003","23.2496","0.0005","103.213","0.001","95.942","0.001","93.433","0.001","3077.27","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H80 Mg N2 O3 -","- C78 H80 Mg N2 O3 -","- C156 H160 Mg2 N4 O6 -","2","1","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.1171","0.0956","","","0.2448","0.2582","","","","","","1.087","","","","has coordinates","275463","2022-05-16","22:58:49",""
"7710275","11.8826","0.0002","20.3808","0.0004","23.1208","0.0004","66.247","0.001","78.218","0.001","84.243","0.001","5016.01","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 N2 O3 Sr -","- C60 H60 N2 O3 Sr -","- C240 H240 N8 O12 Sr4 -","4","2","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.133","0.0902","","","0.2093","0.2358","","","","","","1.087","","","","has coordinates,has disorder","275463","2022-05-16","22:58:49",""
"7710276","28.1647","0.0005","17.8406","0.0004","18.1355","0.0003","90","","124.063","0.001","90","","7549.1","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H49 Mg N O2 -","- C47 H49 Mg N O2 -","- C376 H392 Mg8 N8 O16 -","8","1","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0917","0.0651","","","0.1264","0.14","","","","","","1.089","","","","has coordinates","275463","2022-05-16","22:58:49",""
"7710277","11.4529","0.0004","12.3964","0.0003","14.2573","0.0004","76.074","0.002","83.267","0.001","82.325","0.002","1939.45","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H86 N2 O4 Sr2 -","- C82 H86 N2 O4 Sr2 -","- C82 H86 N2 O4 Sr2 -","1","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0955","0.0696","","","0.1287","0.141","","","","","","1.033","","","","has coordinates,has disorder","275463","2022-05-16","22:58:49",""
"7710278","11.4133","0.0003","12.6652","0.0003","14.479","0.0003","73.278","0.001","82.423","0.001","81.815","0.001","1974.9","0.08","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H102 Ba2 N2 O4 -","- C96 H102 Ba2 N2 O4 -","- C96 H102 Ba2 N2 O4 -","1","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0497","0.0454","","","0.0966","0.1006","","","","","","1.07","","","","has coordinates,has disorder","275463","2022-05-16","22:58:49",""
"7710279","30.1857","0.0005","34.568","0.0005","13.7013","0.0002","90","","90","","90","","14296.7","0.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C86 H96 Ca N2 O5 -","- C86 H96 Ca N2 O5 -","- C688 H768 Ca8 N16 O40 -","8","0.5","","Westerhausen, Matthias; Schüler, Philipp; Krieck, Sven; Görls, Helmar; Liebing, Phil","Sterically shielded primary anilides of the alkaline-earth metals of the type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)","Dalton Transactions","2022","","","","","10.1039/D2DT01121B","","","0.71073","MoKα","","0.0532","0.0454","","","0.0859","0.0897","","","","","","1.078","","","","has coordinates","275463","2022-05-16","22:58:49",""
"7710280","38.2925","0.0007","38.2925","0.0007","16.4164","0.0004","90","","90","","90","","24071.6","0.9","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C45 H25 Eu N4 O13 -","- C45 H25 Eu N4 O13 -","- C720 H400 Eu16 N64 O208 -","16","1","","Liu, Teng; Shen, Xianfu; Liu, Zhengfen; Zhang, Feng; Liu, Jian-Jun","An electron-deficient MOF as an efficient electron-transfer catalyst for selective oxidative carbon–carbon coupling of 2,6-di-tert-butylphenol","Dalton Transactions","2022","","","","","10.1039/D2DT00869F","","","0.71073","MoKα","","0.0761","0.0508","","","0.1264","0.136","","","","","","1.031","","","","has coordinates","275464","2022-05-16","23:00:01",""
"7710281","12.604","0.002","16.344","0.003","20.239","0.004","94.765","0.007","92.058","0.006","109.136","0.006","3916.4","1.2","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H49 Cl2 Fe N2 -","- C45 H49 Cl2 Fe N2 -","- C180 H196 Cl8 Fe4 N8 -","4","2","","Li, Yuzhu; Xi, Jing; Ferrando-Soria, Jesús; Zhang, Yi-Quan; Wang, Wenyuan; Song, You; Guo, Yan; Pardo, Emilio; Liu, Xiangyu","Slow magnetic relaxation in a trigonal-planar mononuclear Fe(ii) complex","Dalton Transactions","2022","","","","","10.1039/D2DT00899H","","","0.71073","MoKα","","0.0567","0.0378","","","0.0863","0.0933","","","","","","1.016","","","","has coordinates","275494","2022-05-17","22:50:58",""
"7710282","12.3687","0.0007","22.9892","0.001","13.9721","0.0006","90","","90","","90","","3972.9","0.3","153.15","","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H49 Cl Fe N2 -","- C45 H49 Cl Fe N2 -","- C180 H196 Cl4 Fe4 N8 -","4","0.5","","Li, Yuzhu; Xi, Jing; Ferrando-Soria, Jesús; Zhang, Yi-Quan; Wang, Wenyuan; Song, You; Guo, Yan; Pardo, Emilio; Liu, Xiangyu","Slow magnetic relaxation in a trigonal-planar mononuclear Fe(ii) complex","Dalton Transactions","2022","","","","","10.1039/D2DT00899H","","","0.71073","MoKα","","0.0854","0.0598","","","0.1777","0.1932","","","","","","1.044","","","","has coordinates,has disorder","275494","2022-05-17","22:50:59",""
"7710283","12.8026","0.0006","15.0623","0.0008","19.8264","0.001","68.182","0.003","88.474","0.003","66.262","0.003","3214.9","0.3","100","2","100.1","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H67 Cl F6 N4 O2 P Ru -","- C57 H64.69 Cl F6 N4 O2 P Ru -","- C114 H129.38 Cl2 F12 N8 O4 P2 Ru2 -","2","1","","Verani, Claudio; Amunugama, Samudra; Asempa, Eyram Akosua; Tripathi, Ramesh Chandra; Wanniarachchi, Dakshika; Baydoun, Habib; Hoffmann, Peter; Jakubikova, Elena","Electron transport through a (terpyridine)ruthenium metallosurfactant containing a redox-active aminocatechol derivative","Dalton Transactions","2022","","","","","10.1039/D2DT00938B","","","0.71073","MoKα","","0.0831","0.056","","","0.142","0.1578","","","","","","1.023","","","","has coordinates,has disorder","275495","2022-05-17","22:51:32",""
"7710284","13.122","0.004","10.371","0.003","19.538","0.006","90","","103.491","0.004","90","","2585.5","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 Cl2 Dy2 N6 O8 -","- C52 H56 Cl2 Dy2 N6 O8 -","- C104 H112 Cl4 Dy4 N12 O16 -","2","0.5","","Song, Xiao-Jiao; Jing, Yu; Feng, Xin; Hu, Zhao-Bo; Kong, Ming; Xue, Xiao-Ming; Zhang, Yi-Quan; Song, You","Single-molecule magnet behaviour in a centrosymmetric dinuclear dysprosium(III) complex: sequential differentiation of triple relaxation pathways.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9233","9240","10.1039/d2dt00684g","","","0.71073","MoKα","","0.0499","0.0437","","","0.1228","0.1301","","","","","","1.028","","","","has coordinates,has disorder","276622","2022-07-06","08:11:25",""
"7710285","13.9935","0.0006","18.2318","0.0008","30.6238","0.0013","103.088","0.002","99.793","0.002","91.711","0.002","7480.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Trinickel 2,3,6,7,10,11-hexaiminotriphenylene cluster","Trinickel 2,3,6,7,10,11-hexaiminotriphenylene cluster","","- C167 H145 B3 Cl4 N24 Ni3 -","- C167 H145 B3 Cl4 N24 Ni3 -","- C334 H290 B6 Cl8 N48 Ni6 -","2","1","","Yang, Luming; Oppenheim, Julius; Dinca, Mircea","Strong Magnetic Exchange Coupling in a Radical-Bridged Trinuclear Nickel Complex","Dalton Transactions","2022","","","","","10.1039/D2DT01337A","","","0.71073","MoKα","","0.0707","0.0491","","","0.1226","0.1373","","","","","","1.034","","","","has coordinates,has disorder","275528","2022-05-18","22:58:33",""
"7710286","23.458","0.0019","18.551","0.006","6.464","0.005","90","","90","","90","","2813","2","293","","293","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- Ba5 Fe2 In4 S15 Zn -","- Ba5 Fe2 In4 S15 Zn -","- Ba20 Fe8 In16 S60 Zn4 -","4","0.5","","Almoussawi, Batoul; Duffort, Victor; Arevalo-Lopez, Angel M; Braun, Maxime; Djelal, Nora; Kabbour, Houria","Preparation, characterization and DFT+U study of the polar Fe<sup>3+</sup>-based phase Ba<sub>5</sub>Fe<sub>2</sub>ZnIn<sub>4</sub>S<sub>15</sub> containing <i>S</i> = 5/2 zigzag chains.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9522","9530","10.1039/d2dt00733a","","x-ray","0.56087","AgKα","","0.0382","0.0315","","","0.0374","0.0386","","","","1.47","1.47","1.42","","","","has coordinates","276620","2022-07-06","08:10:47",""
"7710287","24.5496","0.0009","27.217","0.001","16.4374","0.0007","90","","108.242","0.004","90","","10430.9","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H109 Br6 Fe8 N14 O28.5 -","- C84 H108 Br6 Fe8 N14 O28.5 -","- C336 H432 Br24 Fe32 N56 O114 -","4","0.5","","Brechin, Euan K.; Cutler, Daniel J.; Coletta, Marco; Singh, Mukesh; Tsanai, Angelos B.; McCormick McPherson, Laura J.; Coles, Simon; Schnack, Jürgen","An [FeIII8] molecular oxyhydroxide","Dalton Transactions","2022","","","","","10.1039/D2DT01477G","","x-ray","0.71073","MoKα","K-L~3~","0.0732","0.0456","","","0.1044","0.1148","","","","","","1.018","","","","has coordinates,has disorder","275530","2022-05-18","22:59:34",""
"7710288","10.9935","0.0017","11.9446","0.0018","17.14","0.002","70.849","0.005","86.836","0.005","71.907","0.005","2018.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Co2 N12 O6 -","- C37 H53 Co2 N12 O6 -","- C74 H106 Co4 N24 O12 -","2","1","","Liu, Mengyao; Yang, Yimou; Jing, Rong; Zheng, Shaojun; Yuan, Aihua; Wang, Zhenxing; Luo, Shu-Chang; Liu, Xiangyu; Cui, Hui-Hui; Ouyang, Zhong-Wen; Chen, Lei","Slow magnetic relaxation in dinuclear Co(iii)–Co(ii) complexes containing a five-coordinated Co(ii) centre with easy-axis anisotropy","Dalton Transactions","2022","","","","","10.1039/D2DT00857B","","","0.71073","MoKα","","0.1063","0.0737","","","0.1837","0.2069","","","","","","0.978","","","","has coordinates","275562","2022-05-19","22:50:48",""
"7710289","13.743","0.002","18.029","0.003","20.727","0.003","69.604","0.005","84.3","0.005","81.659","0.006","4756.1","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H108 Cl2 Co4 N24 O8 -","- C85 H108 Cl2 Co4 N24 O8 -","- C170 H216 Cl4 Co8 N48 O16 -","2","1","","Liu, Mengyao; Yang, Yimou; Jing, Rong; Zheng, Shaojun; Yuan, Aihua; Wang, Zhenxing; Luo, Shu-Chang; Liu, Xiangyu; Cui, Hui-Hui; Ouyang, Zhong-Wen; Chen, Lei","Slow magnetic relaxation in dinuclear Co(iii)–Co(ii) complexes containing a five-coordinated Co(ii) centre with easy-axis anisotropy","Dalton Transactions","2022","","","","","10.1039/D2DT00857B","","","0.71073","MoKα","","0.1435","0.0859","","","0.2391","0.2672","","","","","","1.066","","","","has coordinates,has disorder","275562","2022-05-19","22:50:49",""
"7710290","9.7307","0.0019","18.031","0.004","31.013","0.006","90","","90","","90","","5441.4","1.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H27 B F4 O2 Ru2 -","- C31 H27 B F4 O2 Ru2 -","- C248 H216 B8 F32 O16 Ru16 -","8","1","","Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","η6-Coordinated ruthenabenzenes from three-component assembly on a diruthenium μ-allenyl scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT01071B","","","0.71073","MoKα","","0.164","0.1521","","","0.3418","0.3502","","","","","","1.165","","","","has coordinates","275563","2022-05-19","22:51:20",""
"7710291","14.0285","0.0006","19.1152","0.0009","21.1384","0.0011","64.74","0.003","74.232","0.003","78.345","0.003","4909.3","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C86 H53 Cu2 F12 N9 O13 S4 -","- C86 H53 Cu2 F12 N9 O13 S4 -","- C172 H106 Cu4 F24 N18 O26 S8 -","2","1","","Singh, Mukesh K.; Etcheverry-Berríos, Alvaro; Vallejo, Julia; Sanz, Sergio; Martínez-Lillo, José; Nichol, Gary S.; Lusby, Paul J.; Brechin, Euan K.","Guest-induced magnetic exchange in paramagnetic [M2L4]4+ coordination cages","Dalton Transactions","2022","","","","","10.1039/D2DT01385A","","","0.71073","MoKα","","0.133","0.0991","","","0.2639","0.2909","","","","","","1.028","","","","has coordinates,has disorder","275564","2022-05-19","22:52:08",""
"7710292","15.2519","0.0001","24.1742","0.0002","12.2773","0.0001","90","","90.73","0.001","90","","4526.3","0.06","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.34 H64.69 Br6 Cu2 F6 N9.66 O10.48 Re S2 -","- C88.34 H64.68 Br6 Cu2 F6 N9.66 O10.49 Re S2 -","- C176.68 H129.36 Br12 Cu4 F12 N19.32 O20.98 Re2 S4 -","2","0.5","","Singh, Mukesh K.; Etcheverry-Berríos, Alvaro; Vallejo, Julia; Sanz, Sergio; Martínez-Lillo, José; Nichol, Gary S.; Lusby, Paul J.; Brechin, Euan K.","Guest-induced magnetic exchange in paramagnetic [M2L4]4+ coordination cages","Dalton Transactions","2022","","","","","10.1039/D2DT01385A","","x-ray","1.54178","CuKα","","0.0686","0.0638","","","0.1708","0.1747","","","","","","1.178","","","","has coordinates,has disorder","275564","2022-05-19","22:52:09",""
"7710293","12.1451","0.0004","12.7786","0.0004","17.3925","0.0006","93.695","0.003","99.071","0.003","118.328","0.003","2316","0.15","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C92 H66 Cl6 F12 N14 P2 Pd2 Re -","- C92 H66 Cl6 F12 N14 P2 Pd2 Re -","- C92 H66 Cl6 F12 N14 P2 Pd2 Re -","1","0.5","","Singh, Mukesh K.; Etcheverry-Berríos, Alvaro; Vallejo, Julia; Sanz, Sergio; Martínez-Lillo, José; Nichol, Gary S.; Lusby, Paul J.; Brechin, Euan K.","Guest-induced magnetic exchange in paramagnetic [M2L4]4+ coordination cages","Dalton Transactions","2022","","","","","10.1039/D2DT01385A","","x-ray","1.54184","CuKα","","0.0692","0.055","","","0.1395","0.1489","","","","","","1.06","","","","has coordinates","275564","2022-05-19","22:52:09",""
"7710294","10.4113","0.0003","10.6661","0.0003","19.7627","0.0006","88.491","0.001","82.519","0.001","68.734","0.001","2027.24","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 La N O -","- C46 H62 La N O -","- C92 H124 La2 N2 O2 -","2","1","","Trifonov, Alexander; Selikhov, Alexander N.; Pechenkina, Polina; Cherkasov, Anton; Nelyubina, Yulia V.; Glukhova, Tatyana","π-Carbazolyl supported bis(alkyl) complexes of Sc, Y and La for α-olefin polymerization and hydrogenation","Dalton Transactions","2022","","","","","10.1039/D2DT01188C","","","0.71073","MoKα","","0.0406","0.0312","","","0.0703","0.0733","","","","","","1.06","","","","has coordinates","275565","2022-05-19","22:53:31",""
"7710295","10.9924","0.0005","15.8617","0.0007","27.3052","0.0012","90","","93.099","0.002","90","","4753.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H82 N O Sc Si2 -","- C45 H82 N O Sc Si2 -","- C180 H328 N4 O4 Sc4 Si8 -","4","1","","Trifonov, Alexander; Selikhov, Alexander N.; Pechenkina, Polina; Cherkasov, Anton; Nelyubina, Yulia V.; Glukhova, Tatyana","π-Carbazolyl supported bis(alkyl) complexes of Sc, Y and La for α-olefin polymerization and hydrogenation","Dalton Transactions","2022","","","","","10.1039/D2DT01188C","","","0.71073","MoKα","","0.1027","0.0579","","","0.1146","0.1318","","","","","","1.047","","","","has coordinates,has disorder","275565","2022-05-19","22:53:31",""
"7710296","21.112","0.013","12.629","0.008","18.607","0.011","90","","107.171","0.01","90","","4740","5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 N3 Y -","- C53 H72 N3 Y -","- C212 H288 N12 Y4 -","4","1","","Trifonov, Alexander; Selikhov, Alexander N.; Pechenkina, Polina; Cherkasov, Anton; Nelyubina, Yulia V.; Glukhova, Tatyana","π-Carbazolyl supported bis(alkyl) complexes of Sc, Y and La for α-olefin polymerization and hydrogenation","Dalton Transactions","2022","","","","","10.1039/D2DT01188C","","","0.71073","MoKα","","0.2129","0.0806","","","0.1258","0.1616","","","","","","1.019","","","","has coordinates,has disorder","275565","2022-05-19","22:53:32",""
"7710297","41.78","0.02","12.672","0.006","18.072","0.008","90","","112.604","0.012","90","","8833","7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H71 N3 Sc -","- C49 H71 N3 Sc -","- C392 H568 N24 Sc8 -","8","1","","Trifonov, Alexander; Selikhov, Alexander N.; Pechenkina, Polina; Cherkasov, Anton; Nelyubina, Yulia V.; Glukhova, Tatyana","π-Carbazolyl supported bis(alkyl) complexes of Sc, Y and La for α-olefin polymerization and hydrogenation","Dalton Transactions","2022","","","","","10.1039/D2DT01188C","","","0.71073","MoKα","","0.2802","0.1175","","","0.2627","0.3567","","","","","","1.029","","","","has coordinates,has disorder","275565","2022-05-19","22:53:32",""
"7710298","16.6381","0.0007","5.8673","0.0003","16.6147","0.0007","90","","107.392","0.003","90","","1547.79","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 P Se -","- C18 H15 P Se -","- C72 H60 P4 Se4 -","4","1","","Branfoot, Callum; Pringle, Paul G.; Pridmore, Natalie E.; Young, Tom; Wass, Duncan","Heterometathesis of diphosphanes (R2P–PR2) with dichalcogenides (R'E–ER', E = O, S, Se, Te)","Dalton Transactions","2022","","","","","10.1039/D2DT01093C","","","0.71073","MoKα","","0.0463","0.0308","","","0.0624","0.0665","","","","","","1.037","","","","has coordinates","275599","2022-05-21","22:44:15",""
"7710299","17.118","0.003","17.118","0.003","13.766","0.006","90","","90","","120","","3493.4","1.8","296","2","296.15","","","","","","","","","5","P -3","-P 3","147","","","","- C49.5 H35.51 Cd3 N6.5 O22.5 -","- C48 H24 Cd2.9999 N6 O18 -","- C96 H48 Cd5.9998 N12 O36 -","2","0.333333","","Xiao, Yao; You, Zi Xin; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","Three-pole wheel paddle luminescent metal organic frameworks (LMOFs) based on the oxygen substituted triazine tricarboxylic acid ligand: recognition and detection of small drug molecules and aromatic amine molecules.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9336","9347","10.1039/d2dt01032a","","","0.71073","MoKα","","0.1385","0.0965","","","0.2761","0.2965","","","","","","0.979","","","","has coordinates","276613","2022-07-06","08:07:56",""
"7710300","16.8223","0.0018","16.8223","0.0018","6.8892","0.0014","90","","90","","120","","1688.4","0.4","301.26","","301.26","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C25.49 H26.51 N3.5 O15.52 Zn2 -","- C24 H14.007 N3 O11.0136 Zn2 -","- C48 H28.014 N6 O22.0272 Zn4 -","2","0.166667","","Xiao, Yao; You, Zi Xin; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan","Three-pole wheel paddle luminescent metal organic frameworks (LMOFs) based on the oxygen substituted triazine tricarboxylic acid ligand: recognition and detection of small drug molecules and aromatic amine molecules.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9336","9347","10.1039/d2dt01032a","","","0.71073","MoKα","","0.1275","0.074","","","0.1733","0.2067","","","","","","0.966","","","","has coordinates,has disorder","276613","2022-07-06","08:07:59",""
"7710301","7.7025","0.0003","9.6198","0.0003","14.7802","0.0005","80.313","0.003","75.682","0.003","67.038","0.004","973.89","0.07","300.81","0.1","300.81","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br2 Co N2 O2 -","- C20 H18 Br2 Co N2 O2 -","- C40 H36 Br4 Co2 N4 O4 -","2","1","","Wang, Yu-Feng; Tang, Ji-Xia; Mo, Zaiyong; Li, Juan; Liang, Fu-Pei; Zou, Hua-Hong","Strong in vitro and vivo cytotoxicity of three new cobalt(II) complexes with 8-methoxyquinoline","Dalton Transactions","2022","","","","","10.1039/D2DT01310J","","x-ray","0.71073","MoKα","","0.0547","0.0311","","","0.0683","0.0761","","","","","","1.054","","","","has coordinates","275615","2022-05-23","22:47:32",""
"7710302","7.8982","0.0003","11.27","0.0007","12.5221","0.0005","74.391","0.004","88.386","0.003","77.493","0.004","1047.51","0.09","300.99","0.1","300.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Co I2 N2 O2 -","- C20 H18 Co I2 N2 O2 -","- C40 H36 Co2 I4 N4 O4 -","2","1","","Wang, Yu-Feng; Tang, Ji-Xia; Mo, Zaiyong; Li, Juan; Liang, Fu-Pei; Zou, Hua-Hong","Strong in vitro and vivo cytotoxicity of three new cobalt(II) complexes with 8-methoxyquinoline","Dalton Transactions","2022","","","","","10.1039/D2DT01310J","","x-ray","0.71073","MoKα","","0.026","0.0218","","","0.0528","0.0541","","","","","","1.075","","","","has coordinates","275615","2022-05-23","22:47:45",""
"7710303","7.5841","0.0005","9.5978","0.0006","14.5635","0.0009","81.65","0.005","78.574","0.005","67.05","0.006","954.11","0.11","300.71","0.1","300.71","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Co N2 O2 -","- C20 H18 Cl2 Co N2 O2 -","- C40 H36 Cl4 Co2 N4 O4 -","2","1","","Wang, Yu-Feng; Tang, Ji-Xia; Mo, Zaiyong; Li, Juan; Liang, Fu-Pei; Zou, Hua-Hong","Strong in vitro and vivo cytotoxicity of three new cobalt(II) complexes with 8-methoxyquinoline","Dalton Transactions","2022","","","","","10.1039/D2DT01310J","","x-ray","0.71073","MoKα","","0.0867","0.0645","","","0.1857","0.1971","","","","","","1.078","","","","has coordinates","275615","2022-05-23","22:47:56",""
"7710304","11.6641","0.0006","12.288","0.0006","17.5529","0.0006","104.503","0.004","102.541","0.004","105.931","0.004","2229","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N5 O21 W5 Zn -","- C24 H33 N5 O21 W5 Zn -","- C48 H66 N10 O42 W10 Zn2 -","2","1","","Liu, Zhengfen; Li, Xiaobo; Chen, Jian; Li, Chao; Luo, Fumang; Cheng, Fei-Xiang; Liu, Jian-Jun","Merging of the photocatalyst decatungstate and naphthalene diimide in a hybrid structure for the oxidative coupling of amines","Dalton Transactions","2022","","","","","10.1039/D2DT01003H","","","0.71073","MoKα","","0.045","0.0346","","","0.0932","0.0972","","","","","","1.042","","","","has coordinates","275616","2022-05-23","22:48:32",""
"7710305","17.6859","0.0012","17.6859","0.0012","12.3676","0.0013","90","","90","","90","","3868.5","0.6","350","2","350.01","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1539","0.0688","","","0.1001","0.119","","","","","","1.103","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710306","17.725","0.003","17.725","0.003","12.578","0.002","90","","90","","90","","3951.7","1.1","420","2","420.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1867","0.0463","","","0.0905","0.1159","","","","","","0.935","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710307","17.3815","0.0007","17.3815","0.0007","12.1164","0.0005","90","","90","","90","","3660.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0697","0.0434","","","0.0685","0.073","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710308","17.5254","0.0007","17.5254","0.0007","12.2143","0.0006","90","","90","","90","","3751.5","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.124","0.0502","","","0.0767","0.0903","","","","","","0.983","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710309","17.674","0.0007","17.674","0.0007","12.5284","0.0006","90","","90","","90","","3913.5","0.3","400","2","398.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0921","0.0523","","","0.1217","0.1466","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710310","17.6961","0.0005","17.6961","0.0005","12.5406","0.0005","90","","90","","90","","3927.1","0.2","400","2","400","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 Fe N6 S2 -","- C40 H32 Fe N6 S2 -","- C160 H128 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1171","0.0491","","","0.0983","0.116","","","","","","1.011","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710311","17.7629","0.0019","17.7629","0.0019","12.4907","0.0014","90","","90","","90","","3941.1","0.7","400","2","400","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1728","0.0759","","","0.106","0.1269","","","","","","1.111","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710312","17.7562","0.0015","17.7562","0.0015","12.5703","0.0013","90","","90","","90","","3963.2","0.6","450","2","450.02","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.129","0.081","","","0.1783","0.2117","","","","","","1.124","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710313","17.7428","0.0006","17.7428","0.0006","12.21","0.0004","90","","90","","90","","3843.8","0.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 Fe N6 S2 -","- C40 H32 Fe N6 S2 -","- C160 H128 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0597","0.0386","","","0.0768","0.0848","","","","","","1.015","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710314","17.615","0.0006","17.615","0.0006","12.2291","0.0005","90","","90","","90","","3794.5","0.2","300","2","298.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0498","0.0384","","","0.0873","0.0929","","","","","","1.023","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710315","17.834","0.004","17.834","0.004","12.571","0.003","90","","90","","90","","3998.2","1.6","450","2","450.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.1943","0.0892","","","0.1176","0.1414","","","","","","1.103","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710316","17.6315","0.0003","17.6315","0.0003","12.1717","0.0003","90","","90","","90","","3783.81","0.13","250","2","250.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0883","0.0461","","","0.0824","0.0922","","","","","","1.02","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710317","17.6439","0.0007","17.6439","0.0007","12.2291","0.0005","90","","90","","90","","3807","0.3","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C38 H26 Cl2 Fe N6 S2 -","- C38 H26 Cl2 Fe N6 S2 -","- C152 H104 Cl8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0609","0.0372","","","0.0726","0.0828","","","","","","1.028","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710318","17.6816","0.0011","17.6816","0.0011","12.1451","0.0011","90","","90","","90","","3797","0.5","250","2","250.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C76 H52 Br4 Fe2 N12 S4 -","- C76 H52 Br4 Fe2 N12 S4 -","- C152 H104 Br8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.06","0.0453","","","0.0715","0.0755","","","","","","1.047","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710319","17.739","0.0004","17.739","0.0004","12.1851","0.0004","90","","90","","90","","3834.31","0.18","299","2","298.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C76 H52 Br4 Fe2 N12 S4 -","- C76 H52 Br4 Fe2 N12 S4 -","- C152 H104 Br8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0596","0.045","","","0.0777","0.0821","","","","","","1.017","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710320","17.586","0.003","17.586","0.003","12.194","0.002","90","","90","","90","","3771.2","1.1","250","2","250.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0403","0.0324","","","0.0691","0.0726","","","","","","1.049","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710321","17.656","0.0007","17.656","0.0007","12.386","0.0006","90","","90","","90","","3861.1","0.3","350","2","348.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0632","0.0424","","","0.0936","0.1065","","","","","","1.04","","","","has coordinates","276618","2022-07-06","08:09:59",""
"7710322","17.616","0.0017","17.616","0.0017","12.106","0.002","90","","90","","90","","3756.8","0.8","148","2","148.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0339","0.0309","","","0.0892","0.0911","","","","","","1.055","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710323","17.4989","0.0011","17.4989","0.0011","12.1221","0.0011","90","","90","","90","","3711.9","0.5","150","2","149.99","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C76 H52 Cl4 Fe2 N12 S4 -","- C76 H52 Cl4 Fe2 N12 S4 -","- C152 H104 Cl8 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0498","0.0354","","","0.0706","0.0741","","","","","","0.969","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710324","17.77","0.0008","17.77","0.0008","12.181","0.0005","90","","90","","90","","3846.4","0.3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C38 H26 Br2 Fe N6 S2 -","- C38 H26 Br2 Fe N6 S2 -","- C152 H104 Br8 Fe4 N24 S8 -","4","0.5","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","x-ray","0.71073","MoKα","","0.0823","0.043","","","0.0736","0.085","","","","","","1.009","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710325","17.5623","0.0008","17.5623","0.0008","12.1023","0.0008","90","","90","","90","","3732.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H64 Fe2 N12 S4 -","- C80 H64 Fe2 N12 S4 -","- C160 H128 Fe4 N24 S8 -","2","0.25","","Bhar, Kishalay; Guo, Wenbin; Gonidec, Mathieu; Nikhil Raj M, Venkata; Bhatt, Surabhi; Perdih, Franc; Guionneau, Philippe; Chastanet, Guillaume; Sharma, Anuj K.","High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(II) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9302","9313","10.1039/d2dt00416j","","","0.71073","MoKα","","0.0288","0.0264","","","0.0651","0.0667","","","","","","1.067","","","","has coordinates","276618","2022-07-06","08:10:00",""
"7710326","9.4175","0.0004","9.4368","0.0003","21.9641","0.0006","90","","90","","90","","1951.97","0.12","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ-phenylphosphinate)-bis(3-methoxyphenyl)-bismuth)","","- C20 H20 Bi O4 P -","- C20 H20 Bi O4 P -","- C80 H80 Bi4 O16 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","","0.71073","MoKα","","0.0342","0.0264","","","0.0463","0.0482","","","","","","1.044","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710327","8.759","0.0018","9.471","0.0019","11.418","0.002","90","","99.95","0.03","90","","933","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Bi O2 P -","- C20 H20 Bi O2 P -","- C40 H40 Bi2 O4 P2 -","2","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","","0.710918","Synchrotron","","0.0185","0.0184","","","0.0475","0.0476","","","","","","1.173","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710328","18.7237","0.0004","9.2659","0.0002","23.2109","0.0005","90","","107.783","0.002","90","","3834.5","0.15","122.99","0.1","122.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-((μ-phenylphosphinate)-bis(4-tolyl)-bismuth)","","- C20 H20 Bi O2 P -","- C20 H20 Bi O2 P -","- C160 H160 Bi8 O16 P8 -","8","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","x-ray","1.54184","CuKα","","0.0477","0.0386","","","0.1227","0.1282","","","","","","1.031","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710329","11.7325","0.0002","9.3795","0.0002","20.9611","0.0005","90","","96.47","0.002","90","","2291.97","0.08","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-((μ-diphenylphosphinate)-bis(4-tolyl)-bismuth)","","- C26 H24 Bi O2 P -","- C26 H24 Bi O2 P -","- C104 H96 Bi4 O8 P4 -","4","2","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","x-ray","0.71073","MoKα","","0.0357","0.031","","","0.0768","0.0789","","","","","","1.013","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710330","14.2607","0.0002","10.1056","0.0002","18.496","0.0004","90","","95.681","0.001","90","","2652.42","0.09","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-((μ-diphenylphosphinate)-bis(3-tolyl)-bismuth) dimethylsulfoxide solvate","","- C28 H30 Bi O3 P S -","- C28 H30 Bi O3 P S -","- C112 H120 Bi4 O12 P4 S4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","x-ray","0.71073","MoKα","","0.0314","0.024","","","0.0554","0.0574","","","","","","1.083","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710331","12.9768","0.0003","20.3701","0.0005","15.7622","0.0006","90","","101.844","0.001","90","","4077.9","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe2 N12 O17 W -","- C28 H36 Fe2 N12 O17 W -","- C112 H144 Fe8 N48 O68 W4 -","4","0.5","","Magott, Michał; Ceglarska, Magdalena; Rams, Michał; Sieklucka, Barbara; Pinkowicz, Dawid","Magnetic interactions controlled by light in the family of Fe(II)-M(IV) (M = Mo, W, Nb) hybrid organic-inorganic frameworks","Dalton Transactions","2022","","","","","10.1039/D2DT00777K","","","0.71073","MoKα","","0.0259","0.0234","","","0.0441","0.0448","","","","","","1.145","","","","has coordinates,has disorder","275633","2022-05-24","22:53:12",""
"7710332","13.0334","0.0003","20.5187","0.0003","16.0049","0.0002","90","","102.618","0.002","90","","4176.79","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe2 N12 Nb O17 -","- C28 H36 Fe2 N12 Nb O17 -","- C112 H144 Fe8 N48 Nb4 O68 -","4","0.5","","Magott, Michał; Ceglarska, Magdalena; Rams, Michał; Sieklucka, Barbara; Pinkowicz, Dawid","Magnetic interactions controlled by light in the family of Fe(II)-M(IV) (M = Mo, W, Nb) hybrid organic-inorganic frameworks","Dalton Transactions","2022","","","","","10.1039/D2DT00777K","","","0.6754","synchrotron","","0.0615","0.0519","","","0.1409","0.1491","","","","","","1.047","","","","has coordinates,has disorder","275633","2022-05-24","22:53:13",""
"7710333","12.991","0.0006","20.3836","0.0009","15.7673","0.0007","90","","101.721","0.002","90","","4088.2","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe2 Mo N12 O17 -","- C28 H36 Fe2 Mo N12 O17 -","- C112 H144 Fe8 Mo4 N48 O68 -","4","0.5","","Magott, Michał; Ceglarska, Magdalena; Rams, Michał; Sieklucka, Barbara; Pinkowicz, Dawid","Magnetic interactions controlled by light in the family of Fe(II)-M(IV) (M = Mo, W, Nb) hybrid organic-inorganic frameworks","Dalton Transactions","2022","","","","","10.1039/D2DT00777K","","","0.71073","MoKα","","0.0358","0.0295","","","0.0695","0.0724","","","","","","1.095","","","","has coordinates,has disorder","275633","2022-05-24","22:53:13",""
"7710334","15.7153","0.0005","7.5751","0.0003","31.326","0.0008","90","","116.071","0.001","90","","3349.76","0.19","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H29 Cd N5 O7 -","- C30 H29 Cd N5 O7 -","- C120 H116 Cd4 N20 O28 -","4","1","","Ding, Run-Dong; Li, Dan-Dan; Leng, Feng; Yu, Jie-Hui; Jia, Ming-Jun; Xu, Ji-Qing","A metal–organic framework with rich accessible nitrogen sites for rapid dye adsorption and highly efficient dehydrogenation of formic acid","Dalton Transactions","2022","","","","","10.1039/D2DT00389A","","","0.71073","MoKα","","0.0522","0.0402","","","0.1058","0.114","","","","","","1.079","","","","has coordinates","275645","2022-05-25","22:52:57",""
"7710335","13.5949","0.0013","17.6861","0.0017","28.194","0.003","90","","90","","90","","6779","1.2","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H50 F12 N4 S4 Zn -","- C66 H50 F12 N4 S4 Zn -","- C264 H200 F48 N16 S16 Zn4 -","4","1","","Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping","A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc","Dalton Transactions","2022","","","","","10.1039/D2DT01282K","","","0.71073","MoKα","","0.0895","0.0527","","","0.1135","0.1302","","","","","","1.039","","","","has coordinates,has disorder","275646","2022-05-25","22:53:59",""
"7710336","10.3025","0.0017","12.284","0.002","14.517","0.002","69.29","0.002","70.236","0.002","85.129","0.003","1616","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H50 Cl2 F12 N4 Ni2 S4 -","- C66 H50 Cl2 F12 N4 Ni2 S4 -","- C66 H50 Cl2 F12 N4 Ni2 S4 -","1","0.5","","Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping","A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc","Dalton Transactions","2022","","","","","10.1039/D2DT01282K","","","0.71073","MoKα","","0.1081","0.0545","","","0.115","0.1385","","","","","","1.006","","","","has coordinates,has disorder","275646","2022-05-25","22:53:59",""
"7710337","9.5425","0.0014","22.706","0.003","28.33","0.004","90","","93.511","0.002","90","","6126.8","1.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 F6 N2 S2 -","- C33 H13.5 F6 N2 S2 -","- C264 H108 F48 N16 S16 -","8","2","","Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping","A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc","Dalton Transactions","2022","","","","","10.1039/D2DT01282K","","","0.71073","MoKα","","0.1146","0.0631","","","0.1596","0.1915","","","","","","1.027","","","","has coordinates,has disorder","275646","2022-05-25","22:53:59",""
"7710338","16.2289","0.0019","16.6073","0.0019","17.416","0.002","69.5","0.002","69.628","0.002","62.269","0.002","3793.4","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H25 Cl Cu F6 N2 S2 -","- C33 H25 Cl Cu F6 N2 S2 -","- C132 H100 Cl4 Cu4 F24 N8 S8 -","4","2","","Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping","A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc","Dalton Transactions","2022","","","","","10.1039/D2DT01282K","","","0.71073","MoKα","","0.109","0.0766","","","0.2147","0.2412","","","","","","1.032","","","","has coordinates,has disorder","275646","2022-05-25","22:54:00",""
"7710339","12.3382","0.0007","27.356","0.0015","14.0173","0.0008","90","","113.787","0.001","90","","4329.3","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Eu K O50 Se4 Ta6 -","- Cs Eu K O50 Se4 Ta6 -","- Cs4 Eu4 K4 O200 Se16 Ta24 -","4","1","","Du, Weixin; Liu, Yufeng; Sun, Junjun; Wang, Haiying; Yang, Guo-Ping; Zhang, Dongdi","Three rare-earth incorporating 6-peroxotantalo-4-selenate and catalytic activities for imidation reaction","Dalton Transactions","2022","","","","","10.1039/D2DT01332K","","","0.71073","MoKα","","0.0606","0.0421","","","0.092","0.1007","","","","","","1.023","","","","has coordinates","275647","2022-05-25","22:55:09",""
"7710340","12.2537","0.0009","27.308","0.002","13.9677","0.0011","90","","114.18","0.001","90","","4263.9","0.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs K Lu O50 Se4 Ta6 -","- Cs K Lu O50 Se4 Ta6 -","- Cs4 K4 Lu4 O200 Se16 Ta24 -","4","1","","Du, Weixin; Liu, Yufeng; Sun, Junjun; Wang, Haiying; Yang, Guo-Ping; Zhang, Dongdi","Three rare-earth incorporating 6-peroxotantalo-4-selenate and catalytic activities for imidation reaction","Dalton Transactions","2022","","","","","10.1039/D2DT01332K","","","0.71073","MoKα","","0.0633","0.0437","","","0.0968","0.1059","","","","","","1.017","","","","has coordinates","275647","2022-05-25","22:55:10",""
"7710341","12.3307","0.0005","27.2604","0.0011","14.016","0.0006","90","","113.854","0.001","90","","4308.9","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs Gd K O50 Se4 Ta6 -","- Cs Gd K O50 Se4 Ta6 -","- Cs4 Gd4 K4 O200 Se16 Ta24 -","4","1","","Du, Weixin; Liu, Yufeng; Sun, Junjun; Wang, Haiying; Yang, Guo-Ping; Zhang, Dongdi","Three rare-earth incorporating 6-peroxotantalo-4-selenate and catalytic activities for imidation reaction","Dalton Transactions","2022","","","","","10.1039/D2DT01332K","","","0.71073","MoKα","","0.0493","0.0388","","","0.091","0.0963","","","","","","1.023","","","","has coordinates","275647","2022-05-25","22:55:10",""
"7710342","18.9003","0.0008","18.9003","0.0008","18.9003","0.0008","90","","90","","90","","6751.6","0.5","150.15","","150.15","","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C304 H414 Ce16 N74 O135 -","- C138 H103.999 Ce16 N24 O75 -","- C138 H103.999 Ce16 N24 O75 -","1","0.0416667","","Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin","Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides","Dalton Transactions","2022","","","","","10.1039/D2DT00856D","","","0.67011","synchrotron","","0.0407","0.0397","","","0.1155","0.1163","","","","","","1.064","","","","has coordinates,has disorder","275648","2022-05-25","22:56:49",""
"7710343","40.8409","0.0018","40.8409","0.0018","51.871","0.004","90","","90","","120","","74928","7","150.15","","150.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C241 H250 Ce24 N26 O124 S30 -","- C170 H110 Ce24 N4 O96 S30 -","- C1530 H990 Ce216 N36 O864 S270 -","9","0.5","","Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin","Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides","Dalton Transactions","2022","","","","","10.1039/D2DT00856D","","","0.67011","synchrotron","","0.1099","0.092","","","0.2542","0.2705","","","","","","1.037","","","","has coordinates,has disorder","275648","2022-05-25","22:56:49",""
"7710344","14.7718","0.0003","14.8165","0.0005","22.3328","0.0008","74.861","0.003","81.924","0.002","68.345","0.003","4380","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H134 La3 P7 -","- C85 H134 La3 P7 -","- C170 H268 La6 P14 -","2","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","1.54184","CuKα","","0.0621","0.0487","","","0.1254","0.1341","","","","","","1.034","","","","has coordinates,has disorder","276607","2022-07-06","08:06:23",""
"7710345","10.5206","0.0003","19.3399","0.0005","18.2318","0.0005","90","","93.152","0.002","90","","3703.96","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 B Ce O2 -","- C38 H64 B Ce O2 -","- C152 H256 B4 Ce4 O8 -","4","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0407","0.0337","","","0.0746","0.0777","","","","","","1.099","","","","has coordinates","276607","2022-07-06","08:06:24",""
"7710346","10.53775","0.00016","19.3733","0.0003","18.2349","0.0003","90","","93.1475","0.0014","90","","3717.06","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 B La O2 -","- C38 H64 B La O2 -","- C152 H256 B4 La4 O8 -","4","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.034","0.0256","","","0.0554","0.0581","","","","","","1.052","","","","has coordinates,has disorder","276607","2022-07-06","08:06:26",""
"7710347","14.7799","0.0005","14.8493","0.0005","22.411","0.0009","74.202","0.004","81.751","0.003","68.303","0.003","4392.4","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C85 H134 Ce3 P7 -","- C85 H134 Ce3 P7 -","- C170 H268 Ce6 P14 -","2","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","1.54184","CuKα","","0.0582","0.0496","","","0.1301","0.1371","","","","","","1.033","","","","has coordinates,has disorder","276607","2022-07-06","08:06:28",""
"7710348","10.5325","0.0002","13.8019","0.0003","14.5653","0.0003","64.338","0.002","73.743","0.002","77.473","0.002","1820.95","0.07","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C76 H120 Ce2 N2 -","- C76 H120 Ce2 N2 -","- C76 H120 Ce2 N2 -","1","0.5","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0442","0.0393","","","0.1046","0.1081","","","","","","1.076","","","","has coordinates,has disorder","276607","2022-07-06","08:06:38",""
"7710349","11.36744","0.00017","17.5348","0.0003","18.2956","0.0003","90","","107.334","0.0016","90","","3481.16","0.1","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H61 Ce O2 -","- C36 H61 Ce O2 -","- C144 H244 Ce4 O8 -","4","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0316","0.0265","","","0.0604","0.0631","","","","","","1.073","","","","has coordinates,has disorder","276607","2022-07-06","08:06:40",""
"7710350","11.3719","0.00018","17.5341","0.0003","18.33","0.0003","90","","107.067","0.0019","90","","3493.98","0.11","179.99","0.11","179.99","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H61 La O2 -","- C36 H61 La O2 -","- C144 H244 La4 O8 -","4","1","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0415","0.0367","","","0.0839","0.0861","","","","","","1.163","","","","has coordinates,has disorder","276607","2022-07-06","08:06:49",""
"7710351","10.2919","0.0003","11.7807","0.0002","14.5718","0.0005","78.604","0.002","76.732","0.003","70.957","0.002","1610.98","0.08","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C64 H92 La2 N2 -","- C64 H92 La2 N2 -","- C64 H92 La2 N2 -","1","0.5","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0624","0.0597","","","0.1456","0.1471","","","","","","1.189","","","","has coordinates,has disorder","276607","2022-07-06","08:06:51",""
"7710352","12.9548","0.0003","16.8937","0.0003","24.5878","0.0005","90","","90","","90","","5381.15","0.19","180","0.1","180","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H84 Cl2 La2 -","- C52 H84 Cl2 La2 -","- C208 H336 Cl8 La8 -","4","0.5","","Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan","Reactivity studies on lanthanum and cerium hydrido metallocenes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9241","9246","10.1039/d2dt00996j","","x-ray","0.71073","MoKα","","0.0439","0.0345","","","0.0563","0.0594","","","","","","1.276","","","","has coordinates","276607","2022-07-06","08:06:51",""
"7710353","21.876","0.0003","21.876","0.0003","13.2528","0.0003","90","","90","","120","","5492.55","0.16","293","2","293","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- I13 O39 Sm3 -","- I13 O39 Sm3 -","- I78 O234 Sm18 -","6","0.333333","","Guo, Ruixin; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Wang, Xiaoyang","Structure, optical and luminescence properties of anhydrous samarium iodate Sm3(IO3)9(HIO3)4","Dalton Transactions","2022","","","","","10.1039/D2DT00799A","","","0.71073","MoKα","","0.0386","0.0386","","","0.0988","0.0988","","","","","","1.066","","","","has coordinates","275661","2022-05-26","22:48:35",""
"7710354","14.919","0.002","17.057","0.002","19.439","0.002","90","","90","","90","","4946.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Zn(TMC-N-E), Zn(3Me-cyclam-N-EtOH)","Zinc(II) N-triméhyl-N-ethanol-cyclam","","- C15 H38 Cl4 N4 O3 Zn2 -","- C15 H36 Cl4 N4 O3 Zn2 -","- C120 H288 Cl32 N32 O24 Zn16 -","8","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.093","0.0629","","","0.1699","0.192","","","","","","1.049","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7710355","17.5231","0.001","9.0433","0.0005","23.9772","0.0013","90","","105.052","0.002","90","","3669.2","0.4","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","Cu(TE1EtOH)","Copper(II) 2-(1,4,8,11-tetraazacyclotetradecan-1-yl)ethan-1-ol dichloride","","- C12 H31 Cl2 Cu N4 O2.5 -","- C12 H31 Cl2 Cu N4 O2.5 -","- C96 H248 Cl16 Cu8 N32 O20 -","8","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.0475","0.0442","","","0.1107","0.1132","","","","","","1.064","","","","has coordinates,has disorder","275662","2022-05-26","22:49:39",""
"7710356","6.8923","0.0004","14.6166","0.001","17.0777","0.0009","90","","92.962","0.002","90","","1718.14","0.18","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","Zinc(II) 2-(1,4,8,11-tetraazacyclotetradecan-1-yl)ethan-1-ol dichloride","[Zn(TE1EtOH)Cl]Cl","","- C12 H28 Cl2 N4 O Zn -","- C12 H28 Cl2 N4 O Zn -","- C48 H112 Cl8 N16 O4 Zn4 -","4","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.0901","0.0708","","","0.1882","0.2077","","","","","","1.067","","","","has coordinates","275662","2022-05-26","22:49:39",""
"7710357","15.2412","0.0016","14.7907","0.0017","10.0443","0.0013","90","","90","","90","","2264.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","Cu(3Me-Cyc-N-E)(ClO4)2","Cu(TMC-N-E)(ClO4)2","","- C15 H34 Cl2 Cu N4 O9 -","- C15 H34 Cl2 Cu N4 O9 -","- C60 H136 Cl8 Cu4 N16 O36 -","4","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.1278","0.0741","","","0.1841","0.2266","","","","","","1.028","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7710358","20.0915","0.0006","14.577","0.0004","24.3861","0.0007","90","","107.129","0.001","90","","6825.3","0.3","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H70 Au Cl7 N6 O4 P2 -","- C70 H70 Au Cl7 N6 O4 P2 -","- C280 H280 Au4 Cl28 N24 O16 P8 -","4","0.5","","Pinto, Andrea; Ward, Jas S.; Rissanen, Kari; Smith, Martin; Rodríguez, Laura","Aggregation of gold(i) complexes: phosphorescence vs. singlet oxygen production","Dalton Transactions","2022","","","","","10.1039/D2DT01154A","","","0.71073","MoKα","","0.0569","0.0465","","","0.12","0.1244","","","","","","1.278","","","","has coordinates","275663","2022-05-26","22:52:33",""
"7710359","11.7485","0.0003","13.3689","0.0003","15.0115","0.0004","100.569","0.002","105.912","0.002","110.139","0.002","2025.52","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H150 Li4 N10 Si6 U2 -","- C66 H150 Li4 N10 Si6 U2 -","- C66 H150 Li4 N10 Si6 U2 -","1","0.5","","King, David M.; Atkinson, Benjamin E.; Chatelain, Lucile; Gregson, Matthew; Seed, John A.; Wooles, Ashley J.; Kaltsoyannis, Nikolas; Liddle, Stephen T.","Uranium–nitride chemistry: uranium–uranium electronic communication mediated by nitride bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00998F","","","1.54184","CuKα","","0.0198","0.019","","","0.0448","0.0453","","","","","","1.032","","","","has coordinates","275674","2022-05-27","22:49:05",""
"7710360","16.9119","0.0002","16.9119","0.0002","28.5448","0.0006","90","","90","","90","","8164.2","0.2","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H151 Li3 N10 Si6 U2 -","- C66 H151 Li3 N10 Si6 U2 -","- C264 H604 Li12 N40 Si24 U8 -","4","0.5","","King, David M.; Atkinson, Benjamin E.; Chatelain, Lucile; Gregson, Matthew; Seed, John A.; Wooles, Ashley J.; Kaltsoyannis, Nikolas; Liddle, Stephen T.","Uranium–nitride chemistry: uranium–uranium electronic communication mediated by nitride bridges","Dalton Transactions","2022","","","","","10.1039/D2DT00998F","","x-ray","1.54184","CuKα","","0.0271","0.024","","","0.055","0.0564","","","","","","1.018","","","","has coordinates","275674","2022-05-27","22:49:06",""
"7710361","11.771","0.003","14.742","0.004","19.012","0.006","112.09","0.02","91.274","0.019","107.42","0.02","2882.6","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cl10 F4 N4 O12 Ru4 -","- C42 H44 Cl10 F4 N4 O12 Ru4 -","- C84 H88 Cl20 F8 N8 O24 Ru8 -","2","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.2428","0.1002","","","0.2035","0.2511","","","","","","0.975","","","","has coordinates","275681","2022-05-28","22:46:52",""
"7710362","13.612","0.002","14.755","0.002","17.022","0.003","90","","90","","90","","3418.8","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N4 O7 Ru2 -","- C30 H24 Cl F4 N4 O7 Ru2 -","- C120 H96 Cl4 F16 N16 O28 Ru8 -","4","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.2056","0.0938","","","0.1811","0.2402","","","","","","1.092","","","","has coordinates","275681","2022-05-28","22:46:54",""
"7710363","19.3249","0.0005","13.3413","0.0003","27.2352","0.0007","90","","91.383","0.001","90","","7019.7","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H35 Cl3 F2 N3 O6 Ru2 -","- C25.5 H35 Cl3 F2 N3 O6 Ru2 -","- C204 H280 Cl24 F16 N24 O48 Ru16 -","8","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.0757","0.0608","","","0.155","0.1668","","","","","","1.069","","","","has coordinates,has disorder","275681","2022-05-28","22:46:54",""
"7710364","27.5579","0.0011","22.4236","0.001","21.5762","0.0014","90","","129.525","0.001","90","","10284.3","0.9","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H37 Cl4 F8 N8 Ru2 -","- C53 H37 Cl4 F8 N8 Ru2 -","- C424 H296 Cl32 F64 N64 Ru16 -","8","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.0923","0.0435","","","0.091","0.1134","","","","","","1","","","","has coordinates,has disorder","275681","2022-05-28","22:46:54",""
"7710365","14.2365","0.0008","16.2626","0.0009","16.8307","0.0009","90","","90","","90","","3896.7","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DYATRIS","","","- C37 H30 Cl F5 N5 O5 Ru2 -","- C37 H30 Cl F5 N5 O5 Ru2 -","- C148 H120 Cl4 F20 N20 O20 Ru8 -","4","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.1022","0.0566","","","0.1197","0.1495","","","","","","1.087","","","","has coordinates,has disorder","275681","2022-05-28","22:46:54",""
"7710366","41.5237","0.0013","12.0831","0.0004","20.6065","0.0005","90","","114.251","0.001","90","","9426.6","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","3_200K","","","- C42.5 H33 Cl4 F6 N6 O2 Ru2 -","- C42.5 H33 Cl4 F6 N6 O2 Ru2 -","- C340 H264 Cl32 F48 N48 O16 Ru16 -","8","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.08","0.0588","","","0.1769","0.1938","","","","","","1.164","","","","has coordinates,has disorder","275681","2022-05-28","22:46:55",""
"7710367","39.2728","0.0012","39.2728","0.0012","10.8904","0.0004","90","","90","","120","","14546.5","0.8","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26.25 H26.5 Cl1.5 F3 N3 O8 Ru2 -","- C26.25 H24.5 Cl1.5 F3 N3 O8 Ru2 -","- C472.5 H441 Cl27 F54 N54 O144 Ru36 -","18","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.0601","0.0386","","","0.1157","0.1282","","","","","","1.048","","","","has coordinates,has disorder","275681","2022-05-28","22:46:55",""
"7710368","11.4157","0.0013","11.671","0.0012","13.1768","0.0012","73.119","0.004","86.441","0.004","82.059","0.004","1663.4","0.3","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C23 H28 Cl5 F2 N2 O7 Ru2 S -","- C23 H28 Cl5 F2 N2 O7 Ru2 S -","- C46 H56 Cl10 F4 N4 O14 Ru4 S2 -","2","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.0953","0.0438","","","0.0715","0.0853","","","","","","0.968","","","","has coordinates","275681","2022-05-28","22:46:55",""
"7710369","25.844","0.003","8.757","0.0011","31.467","0.003","90","","101.692","0.004","90","","6973.7","1.4","120","","120","","","","","","","","none","6","P 1 21/n 1","-P 2yn","14","1-Fe","1-Fe","","- C66 H59 Cl4 Fe2 N17 O24 -","- C66 H59 Cl4 Fe2 N17 O24 -","- C264 H236 Cl16 Fe8 N68 O96 -","4","1","","Li, Rui-Xia; Sun, Hui-Ying; Liang, Hai-Chao; Yi, Cheng; Yao, Nian-Tao; Meng, Yin-Shan; Xiong, Jin; Liu, Tao; Zhu, Yuan-Yuan","Slow magnetic relaxation in mononuclear octa-coordinate Fe(ii) and Co(ii) complexes from a Bpybox ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00865C","","","0.71073","MoKα","","0.0785","0.044","","","0.0902","0.1066","","","","","","1.019","","","","has coordinates","275694","2022-05-30","22:56:52",""
"7710370","15.5153","0.0011","14.5762","0.001","17.6396","0.0012","90","","97.136","0.002","90","","3958.4","0.5","120","","120","","","","","","","","none","6","P 1 21/c 1","-P 2ybc","14","2-Co","2-Co","","- C36 H34 Cl2 Co N10 O12 -","- C36 H34 Cl2 Co N10 O12 -","- C144 H136 Cl8 Co4 N40 O48 -","4","1","","Li, Rui-Xia; Sun, Hui-Ying; Liang, Hai-Chao; Yi, Cheng; Yao, Nian-Tao; Meng, Yin-Shan; Xiong, Jin; Liu, Tao; Zhu, Yuan-Yuan","Slow magnetic relaxation in mononuclear octa-coordinate Fe(ii) and Co(ii) complexes from a Bpybox ligand","Dalton Transactions","2022","","","","","10.1039/D2DT00865C","","","0.71073","MoKα","","0.0579","0.0403","","","0.1009","0.1118","","","","","","1.033","","","","has coordinates","275694","2022-05-30","22:56:54",""
"7710371","13.469","0.0006","8.7223","0.0004","10.0032","0.0004","90","","90","","90","","1175.18","0.09","298","2","298","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba4 Mn2 Si2 Te9 -","- Ba4 Mn2 Si2 Te9 -","- Ba8 Mn4 Si4 Te18 -","2","0.25","","Yadav, Sweta; Jana, Subhendu; Panigrahi, Gopabandhu; Malladi, Sairam K.; Niranjan, Manish K.; Prakash, Jai","Five coordinated Mn in Ba<sub>4</sub>Mn<sub>2</sub>Si<sub>2</sub>Te<sub>9</sub>: synthesis, crystal structure, physical properties, and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9265","9277","10.1039/d2dt01167k","","","0.71073","MoKα","","0.0286","0.0239","","","0.0529","0.054","","","","","","1.133","","","","has coordinates","276610","2022-07-06","08:07:21",""
"7710372","6.6103","0.0018","12.874","0.004","16.166","0.005","97.48","0.04","90.45","0.04","97.24","0.04","1352.7","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H27 K Mg O9 -","- C27 H27 K Mg O9 -","- C54 H54 K2 Mg2 O18 -","2","2","","Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian","Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters","Dalton Transactions","2022","","","","","10.1039/D2DT00731B","","","0.71073","MoKα","","0.113","0.0727","","","0.1594","0.1759","","","","","","0.969","","","","has coordinates","275696","2022-05-30","22:58:51",""
"7710373","58.522","0.018","15.832","0.005","27.991","0.012","90","","108.43","0.05","90","","24604","17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H118 Al Mg6 Na4 O50 -","- C118 H118 Al Mg6 Na4 O50 -","- C944 H944 Al8 Mg48 Na32 O400 -","8","1","","Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian","Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters","Dalton Transactions","2022","","","","","10.1039/D2DT00731B","","","0.7107","MoKα","","0.2219","0.0782","","","0.1564","0.2427","","","","","","0.976","","","","has coordinates,has disorder","275696","2022-05-30","22:58:51",""
"7710374","15.85","0.003","15.85","0.003","18.016","0.003","90","","90","","90","","4526","1.4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Mg4 O20 -","- C40 H56 Mg4 O20 -","- C160 H224 Mg16 O80 -","4","0.25","","Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian","Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters","Dalton Transactions","2022","","","","","10.1039/D2DT00731B","","","0.71073","MoKα","","0.0916","0.0775","","","0.198","0.2126","","","","","","1.09","","","","has coordinates","275696","2022-05-30","22:58:51",""
"7710375","17.285","0.003","13.75","0.003","18.986","0.004","90","","106.54","0.02","90","","4325.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H98 Mg4 Na2 O30 -","- C86 H98 Mg4 Na2 O30 -","- C172 H196 Mg8 Na4 O60 -","2","0.5","","Petrus, Rafał; Lis, Tadeusz; Kowaliński, Adrian","Use of heterometallic magnesium-alkali metal aryloxides in ring-opening polymerization of cyclic esters","Dalton Transactions","2022","","","","","10.1039/D2DT00731B","","","0.7107","MoKα","","0.0855","0.048","","","0.1118","0.1215","","","","","","0.868","","","","has coordinates,has disorder","275696","2022-05-30","22:58:52",""
"7710377","11.665","0.003","14.436","0.004","17.691","0.004","71.42","0.02","78.55","0.02","75.98","0.02","2715.8","1.3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H144 Cl12.5 N24 Ni6.25 O12 -","- C84 H128 Cl12.5 N24 Ni6.25 O12 -","- C84 H128 Cl12.5 N24 Ni6.25 O12 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine","Dalton Transactions","2022","","","","","10.1039/D2DT01329K","","x-ray","0.71073","MoKα","","0.1336","0.0773","","","0.2079","0.2504","","","","","","1.05","","","","has coordinates,has disorder","275697","2022-05-30","23:00:32",""
"7710378","13.566","0.003","14.71","0.003","16.733","0.004","74.04","0.02","70.91","0.02","76.91","0.02","2999.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H140 Cl12 Cu6 N18 O19 -","- C72 H102 Cl12.002 Cu6 N18 O18.998 -","- C72 H102 Cl12.002 Cu6 N18 O18.998 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine","Dalton Transactions","2022","","","","","10.1039/D2DT01329K","","x-ray","0.71073","MoKα","","0.1587","0.0764","","","0.1926","0.2235","","","","","","0.968","","","","has coordinates,has disorder","275697","2022-05-30","23:00:32",""
"7710379","12.697","0.002","15.022","0.003","17.907","0.002","98.93","0.02","100.75","0.02","114.39","0.02","2951.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H179 Cu6 N18 O62.5 S6 -","- C72 H170 Cu6 N18 O62.5 S6 -","- C72 H170 Cu6 N18 O62.5 S6 -","1","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine","Dalton Transactions","2022","","","","","10.1039/D2DT01329K","","x-ray","0.71073","MoKα","","0.0576","0.042","","","0.0992","0.1056","","","","","","1.04","","","","has coordinates,has disorder","275697","2022-05-30","23:00:33",""
"7710380","11.371","0.002","24.469","0.004","16.157","0.002","90","","90.98","0.02","90","","4494.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H122 Cu4 N26 O30 -","- C76 H122 Cu4 N26 O30 -","- C152 H244 Cu8 N52 O60 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine","Dalton Transactions","2022","","","","","10.1039/D2DT01329K","","x-ray","0.71073","MoKα","","0.0781","0.0599","","","0.1595","0.1711","","","","","","1.093","","","","has coordinates","275697","2022-05-30","23:00:33",""
"7710381","13.257","0.003","24.388","0.003","14.846","0.003","90","","116.22","0.03","90","","4306","1.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H114 Cu4 N26 O30 -","- C72 H114 Cu4 N26 O30 -","- C144 H228 Cu8 N52 O60 -","2","0.5","","Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej","Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine","Dalton Transactions","2022","","","","","10.1039/D2DT01329K","","x-ray","0.71073","MoKα","","0.0623","0.0392","","","0.0834","0.0933","","","","","","1.015","","","","has coordinates","275697","2022-05-30","23:00:33",""
"7710382","10.8894","0.0005","13.6662","0.0007","16.7262","0.0006","72.659","0.004","88.383","0.003","82.404","0.004","2354.99","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47.59 Dy3 N8 O21.3 -","- C39 H47.59 Dy3 N8 O21.295 -","- C78 H95.18 Dy6 N16 O42.59 -","2","1","","Wang, Wen; Shang, Tao; Wang, Juan; Yao, Bin-Ling; Li, Li-Cun; Ma, Yue; Wang, Qing-Lun; Zhang, Yuan-Zhu; Zhang, Yi-Quan; Zhao, Bin","Slow magnetic relaxation in a Dy<sub>3</sub> triangle and a bistriangular Dy<sub>6</sub> cluster.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9404","9411","10.1039/d1dt03414f","","x-ray","0.71073","MoKα","","0.0416","0.0324","","","0.0699","0.0738","","","","","","1.016","","","","has coordinates,has disorder","276621","2022-07-06","08:11:00",""
"7710383","18.0115","0.0011","17.955","0.0004","26.502","0.0009","90","","103.893","0.005","90","","8319.9","0.6","116","7","116","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 Dy3 N8 O18 -","- C60 H51 Dy3 N8 O18 -","- C240 H204 Dy12 N32 O72 -","4","1","","Wang, Wen; Shang, Tao; Wang, Juan; Yao, Bin-Ling; Li, Li-Cun; Ma, Yue; Wang, Qing-Lun; Zhang, Yuan-Zhu; Zhang, Yi-Quan; Zhao, Bin","Slow magnetic relaxation in a Dy<sub>3</sub> triangle and a bistriangular Dy<sub>6</sub> cluster.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9404","9411","10.1039/d1dt03414f","","x-ray","0.71073","MoKα","","0.083","0.056","","","0.123","0.1386","","","","","","1.036","","","","has coordinates,has disorder","276621","2022-07-06","08:11:10",""
"7710384","8.086","0.0007","12.2357","0.001","15.7588","0.0013","67.728","0.003","81.98","0.003","86.088","0.003","1428.5","0.2","100","2","100","","","","","","","","","8","P -1","-P 1","2","2","[Ni(L2)](SbF6)","","- C26.5 H29 Cl F6 N3 Ni O2 Sb -","- C26 H28 F6 N3 Ni O2 Sb -","- C52 H56 F12 N6 Ni2 O4 Sb2 -","2","1","","Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath","Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels","Dalton Transactions","2022","","","","","10.1039/D2DT01043G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0566","0.0597","","","","","","1.049","","","","has coordinates","275710","2022-05-31","22:56:40",""
"7710385","13.2969","0.0015","6.7069","0.0008","27.78","0.003","90","","90","","90","","2477.4","0.5","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","1","[Ni(L2)]","","- C28 H31 N4 Ni O2 -","- C28 H31 N4 Ni O2 -","- C112 H124 N16 Ni4 O8 -","4","0.5","","Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath","Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels","Dalton Transactions","2022","","","","","10.1039/D2DT01043G","","","0.71073","MoKα","","0.0498","0.0327","","","0.0689","0.0798","","","","","","1.059","","","","has coordinates,has disorder","275710","2022-05-31","22:56:41",""
"7710386","12.8121","0.0005","9.6447","0.0004","18.5196","0.0007","90","","98.531","0.004","90","","2263.13","0.16","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LIGAND","H3L","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C104 H124 N12 O8 -","4","1","","Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath","Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels","Dalton Transactions","2022","","","","","10.1039/D2DT01043G","","x-ray","0.71073","MoKα","","0.0513","0.0439","","","0.1036","0.1083","","","","","","1.069","","","","has coordinates,has disorder","275710","2022-05-31","22:56:41",""
"7710387","10.6611","0.0009","17.4758","0.0015","19.0544","0.0017","85.954","0.002","81.575","0.003","89.811","0.003","3502.9","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","3","[Co(AEž5-C5H5)2][Ni(L2)]","","- C42 H44 Co N3 Ni O2 -","- C42 H44 Co N3 Ni O2 -","- C168 H176 Co4 N12 Ni4 O8 -","4","2","","Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath","Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels","Dalton Transactions","2022","","","","","10.1039/D2DT01043G","","","0.71073","MoKα","","0.0438","0.0323","","","0.0714","0.0779","","","","","","1.019","","","","has coordinates","275710","2022-05-31","22:56:41",""
"7710388","33.455","0.012","20.185","0.012","30.076","0.013","90","","100.038","0.007","90","","19999","16","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H145 Co17 Mo16 N2 O183 P25 -","- C22 H81 Co17 Mo16 N2 O175 P25 -","- C88 H324 Co68 Mo64 N8 O700 P100 -","4","0.5","","Li, Cheng; Jiang, Hengyu; Kang, Runkun; Wang, Jilei; Mei, Hua; Xu, Yan","An Isolated Doughnut-like Molybdenum(V) Cobalto-phosphate Cluster Displaying Excellent Photocatalytic Performance for Carbon Dioxide Conversion","Dalton Transactions","2022","","","","","10.1039/D2DT01276F","","","0.71073","MoKα","","0.1246","0.0625","","","0.1355","0.1508","","","","","","1.007","","","","has coordinates,has disorder","275711","2022-05-31","22:57:35",""
"7710389","18.2836","0.0003","25.6217","0.0003","39.2969","0.0006","90","","96.946","0.001","90","","18273.8","0.5","180","","180","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","[Pd2Zn2(1)4](OTf)8","","- C150 H142 Cl12 F24 N34 O24 P4 Pd2 S8 Zn2 -","- C147 H137 Cl10 F24 N33 O24 P4 Pd2 S8 Zn2 -","- C588 H548 Cl40 F96 N132 O96 P16 Pd8 S32 Zn8 -","4","1","","Clauss, Reike; Hey-Hawkins, Evamarie","Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex","Dalton Transactions","2022","","","","","10.1039/D2DT01176J","","x-ray","1.54186","CuKα","","0.1218","0.0926","","","0.2468","0.2792","","","","","","1.023","","","","has coordinates,has disorder","275712","2022-05-31","22:59:25",""
"7710390","13.9015","0.0001","38.1339","0.0004","14.9542","0.0002","90","","98.185","0.001","90","","7846.74","0.15","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69 H66 Cl10 F6 N14 O6 P2 Pd S2 -","- C67 H62 Cl6 F6 N14 O6 P2 Pd S2 -","- C268 H248 Cl24 F24 N56 O24 P8 Pd4 S8 -","4","1","","Clauss, Reike; Hey-Hawkins, Evamarie","Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex","Dalton Transactions","2022","","","","","10.1039/D2DT01176J","","","0.71073","MoKα","","0.0787","0.0611","","","0.1369","0.1458","","","","","","1.05","","","","has coordinates,has disorder","275712","2022-05-31","22:59:25",""
"7710391","23.1345","0.0003","19.3453","0.0002","50.1762","0.0006","90","","94.366","0.001","90","","22390.9","0.5","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H40 F12 N11 O12 P Pd2 S4 -","- C39.75 H37 F8.25 N10 O8.25 P Pd2 S2.75 -","- C636 H592 F132 N160 O132 P16 Pd32 S44 -","16","2","","Clauss, Reike; Hey-Hawkins, Evamarie","Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex","Dalton Transactions","2022","","","","","10.1039/D2DT01176J","","","0.71073","MoKα","","0.0793","0.0599","","","0.1336","0.1428","","","","","","1.055","","","","has coordinates,has disorder","275712","2022-05-31","22:59:26",""
"7710392","26.4899","0.0003","21.7388","0.0003","32.7073","0.0003","90","","95.369","0.001","90","","18752.1","0.4","130","2","130","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C141 H124 Cl2 F24 N32 O24 P4 Pd4 S8 -","- C140 H124 Cl2 F21 N32 O21 P4 Pd4 S7 -","- C560 H496 Cl8 F84 N128 O84 P16 Pd16 S28 -","4","1","","Clauss, Reike; Hey-Hawkins, Evamarie","Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex","Dalton Transactions","2022","","","","","10.1039/D2DT01176J","","","0.71073","MoKα","","0.0882","0.0558","","","0.1381","0.1538","","","","","","1.026","","","","has coordinates,has disorder","275712","2022-05-31","22:59:26",""
"7710393","7.1963","0.0003","12.2113","0.0005","14.9263","0.0006","102.971","0.004","102.419","0.004","92.903","0.004","1241.53","0.09","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H18 F6 N2 O4 P Re -","- C28 H18 F6 N2 O4 P Re -","- C56 H36 F12 N4 O8 P2 Re2 -","2","1","","Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik","An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality","Dalton Transactions","2022","","","","","10.1039/D2DT00743F","","x-ray","1.54184","CuKα","","0.0417","0.0332","","","0.0881","0.0917","","","","","","1.049","","","","has coordinates","275727","2022-06-01","23:02:46",""
"7710394","7.617","0.0001","31.5018","0.0003","8.5825","0.0001","90","","97.132","0.001","90","","2043.43","0.04","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F6 N3 P Re -","- C22 H19 F6 N3 P Re -","- C88 H76 F24 N12 P4 Re4 -","4","1","","Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik","An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality","Dalton Transactions","2022","","","","","10.1039/D2DT00743F","","x-ray","1.54184","CuKα","","0.0186","0.0185","","","0.0454","0.0455","","","","","","1.183","","","","has coordinates","275727","2022-06-01","23:02:47",""
"7710395","15.3233","0.0001","16.7762","0.0001","15.1091","0.0001","90","","101.278","0.001","90","","3809.05","0.04","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 F6 N4 O5 Re2 -","- C44 H34 F6 N4 O5 Re2 -","- C176 H136 F24 N16 O20 Re8 -","4","0.5","","Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik","An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality","Dalton Transactions","2022","","","","","10.1039/D2DT00743F","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.0909","0.091","","","","","","1.09","","","","has coordinates,has disorder","275727","2022-06-01","23:02:47",""
"7710396","20.9702","0.0002","11.4817","0.0001","16.7301","0.0001","90","","101.432","0.001","90","","3948.25","0.06","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F6 N4 O6 Re2 -","- C44 H36 F6 N4 O6 Re2 -","- C176 H144 F24 N16 O24 Re8 -","4","1","","Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik","An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality","Dalton Transactions","2022","","","","","10.1039/D2DT00743F","","x-ray","1.54184","CuKα","","0.0263","0.024","","","0.0587","0.0597","","","","","","1.018","","","","has coordinates,has disorder","275727","2022-06-01","23:02:47",""
"7710397","6.536","0.0013","18.648","0.005","26.673","0.008","90","","90","","90","","3251","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Au Cl N5 O9 -","- C28 H35 Au Cl N5 O9 -","- C112 H140 Au4 Cl4 N20 O36 -","4","1","","Annunziata, Alfonso; Cucciolito, Maria Elena; Ferraro, Giarita; Imbimbo , Paola; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with protein and DNA model systems","Dalton Transactions","2022","","","","","10.1039/D2DT00423B","","","0.71073","MoKα","","0.076","0.0392","","","0.0655","0.0746","","","","","","1.017","","","","has coordinates,has disorder","275728","2022-06-01","23:03:28",""
"7710398","13.1227","0.0004","9.2714","0.0003","16.9147","0.0005","90","","101.238","0.003","90","","2018.48","0.11","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 B N3 -","- C24 H24 B N3 -","- C96 H96 B4 N12 -","4","1","","Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Development of a novel scorpionate ligand with 6-methylpyridine and comparison of structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates","Dalton Transactions","2022","","","","","10.1039/D2DT01548J","","x-ray","1.54184","CuKα","","0.0401","0.0379","","","0.096","0.0976","","","","","","1.05","","","","has coordinates","275730","2022-06-01","23:04:43",""
"7710399","10.03974","0.00017","15.8652","0.0002","13.3756","0.0002","90","","90.3207","0.0015","90","","2130.47","0.06","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B Cl N3 Ni -","- C24 H23 B Cl N3 Ni -","- C96 H92 B4 Cl4 N12 Ni4 -","4","1","","Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Development of a novel scorpionate ligand with 6-methylpyridine and comparison of structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates","Dalton Transactions","2022","","","","","10.1039/D2DT01548J","","","1.54184","CuKα","","0.0353","0.032","","","0.0829","0.0852","","","","","","1.079","","","","has coordinates","275730","2022-06-01","23:04:43",""
"7710400","7.372","0.0002","26.7621","0.0006","11.1119","0.0003","90","","108.356","0.003","90","","2080.72","0.1","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B Cl2 Co N2 O -","- C20 H23 B Cl2 Co N2 O -","- C80 H92 B4 Cl8 Co4 N8 O4 -","4","1","","Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Development of a novel scorpionate ligand with 6-methylpyridine and comparison of structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates","Dalton Transactions","2022","","","","","10.1039/D2DT01548J","","","1.54184","CuKα","","0.0331","0.0323","","","0.0795","0.08","","","","","","1.096","","","","has coordinates","275730","2022-06-01","23:04:43",""
"7710401","11.0336","0.0005","13.231","0.0004","16.0271","0.001","90","","95.895","0.003","90","","2327.35","0.19","113","2","113","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[bromo(Phenyltris(oxiazolynyl)borato)nickel(II)]","Ni(Ph-To)Br","","- C21 H29 B Br N3 Ni O3 -","- C21 H29 B Br N3 Ni O3 -","- C84 H116 B4 Br4 N12 Ni4 O12 -","4","1","","Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Development of a novel scorpionate ligand with 6-methylpyridine and comparison of structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates","Dalton Transactions","2022","","","","","10.1039/D2DT01548J","","x-ray","0.71073","MoKα","","0.0307","0.0236","","","0.0511","0.053","","","","","","0.978","","","","has coordinates","275730","2022-06-01","23:04:44",""
"7710402","9.9893","0.0002","15.948","0.0003","13.6069","0.0003","90","","91.906","0.002","90","","2166.51","0.08","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 B Br N3 Ni -","- C24 H23 B Br N3 Ni -","- C96 H92 B4 Br4 N12 Ni4 -","4","1","","Fujiwara, Yusuke; Takayama, Tomoaki; Nakazawa, Jun; Okamura, Masaya; Hikichi, Shiro","Development of a novel scorpionate ligand with 6-methylpyridine and comparison of structural and electronic properties of nickel(II) complexes with related tris(azolyl)borates","Dalton Transactions","2022","","","","","10.1039/D2DT01548J","","","1.54184","CuKα","","0.0274","0.0268","","","0.0679","0.0682","","","","","","1.052","","","","has coordinates","275730","2022-06-01","23:04:44",""
"7710403","11.4076","0.0003","7.9255","0.0002","16.5642","0.0003","90","","91.408","0.001","90","","1497.13","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N4 O Zn -","- C14 H12 Cl2 N4 O Zn -","- C56 H48 Cl8 N16 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Vinogradova, Katerina A.; Vorob'eva, Sofia; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Nikolaenkova, Elena B.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","N-Hydroxy – N-oxide photoinduced tautomerization and excitation wavelength dependent luminescence of ESIPT-capable zinc(II) complexes with a rationally designed 1-hydroxy-2,4-di(pyridin-2-yl)-1H-imidazole ESIPT-ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01232D","","","0.71073","MoKα","","0.0308","0.028","","","0.0712","0.0723","","","","","","1.032","","","","has coordinates,has disorder","275731","2022-06-01","23:05:52",""
"7710404","12.0424","0.0009","8.1386","0.0006","17.4214","0.0015","90","","91.506","0.002","90","","1706.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 I2 N4 O Zn -","- C14 H12 I2 N4 O Zn -","- C56 H48 I8 N16 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Vinogradova, Katerina A.; Vorob'eva, Sofia; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Nikolaenkova, Elena B.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","N-Hydroxy – N-oxide photoinduced tautomerization and excitation wavelength dependent luminescence of ESIPT-capable zinc(II) complexes with a rationally designed 1-hydroxy-2,4-di(pyridin-2-yl)-1H-imidazole ESIPT-ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01232D","","","0.71073","MoKα","","0.0541","0.0493","","","0.1234","0.1257","","","","","","1.163","","","","has coordinates,has disorder","275731","2022-06-01","23:05:53",""
"7710405","11.635","0.0003","7.9633","0.0003","16.9065","0.0005","90","","91.484","0.001","90","","1565.91","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br2 N4 O Zn -","- C14 H12 Br2 N4 O Zn -","- C56 H48 Br8 N16 O4 Zn4 -","4","1","","Shekhovtsov, Nikita; Vinogradova, Katerina A.; Vorob'eva, Sofia; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Nikolaenkova, Elena B.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","N-Hydroxy – N-oxide photoinduced tautomerization and excitation wavelength dependent luminescence of ESIPT-capable zinc(II) complexes with a rationally designed 1-hydroxy-2,4-di(pyridin-2-yl)-1H-imidazole ESIPT-ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01232D","","","0.71073","MoKα","","0.039","0.0321","","","0.071","0.0729","","","","","","1.072","","","","has coordinates,has disorder","275731","2022-06-01","23:05:53",""
"7710406","8.6597","0.0004","13.0778","0.0006","9.4","0.0005","90","","90.623","0.005","90","","1064.49","0.09","293","2","293","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C H12 Co N3 O6 P3 -","- C H12 Co N3 O6 P3 -","- C4 H48 Co4 N12 O24 P12 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0274","0.0231","","","0.0582","0.0615","","","","","","1.095","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7710407","13.2731","0.0003","12.4955","0.0003","13.2763","0.0003","90","","90","","90","","2201.93","0.09","295","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H11 Co N2 O6 P3 -","- C3 H11 Co N2 O6 P3 -","- C24 H88 Co8 N16 O48 P24 -","8","1","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0356","0.0255","","","0.0546","0.0578","","","","","","1.072","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7710408","9.25","0.0002","9.25","0.0002","23.0532","0.0006","90","","90","","120","","1708.23","0.07","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C H12 Cd N3 O6 P3 -","- C H12 Cd N3 O6 P3 -","- C6 H72 Cd6 N18 O36 P18 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0199","0.0184","","","0.0441","0.045","","","","","","1.076","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7710409","9.8832","0.0003","12.8778","0.0003","18.6407","0.0007","90","","92.082","0.003","90","","2370.91","0.13","297.5","0.8","297.5","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cd2 N4 O12 P6 -","- C6 H22 Cd2 N4 O12 P6 -","- C24 H88 Cd8 N16 O48 P24 -","4","1","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0355","0.0243","","","0.0519","0.055","","","","","","1.032","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7710410","12.8565","0.0001","13.9166","0.0002","13.6699","0.0002","90","","90","","90","","2445.8","0.05","295","0.1","295","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C8 H32 Cd2 N2 O12 P6 -","- C8 H32 Cd2 N2 O12 P6 -","- C32 H128 Cd8 N8 O48 P24 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","","0.71073","MoKα","","0.0165","0.0158","","","0.0414","0.0418","","","","","","1.14","","","","has coordinates","275844","2022-06-06","22:57:24",""
"7710411","9.1004","0.0009","16.1318","0.0015","7.6365","0.0007","90","","110.614","0.002","90","","1049.3","0.17","120","","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Eu2 K5 Na O24 S6 -","- Eu2 K5 Na O24 S6 -","- Eu4 K10 Na2 O48 S12 -","2","0.25","","Storm Thomsen, Maria; Anker, Andy S.; Kacenauskaite, Laura; Sørensen, Thomas Just","We are never ever getting (back to) ideal symmetry: structure and luminescence in a ten-coordinated europium(iii) sulfate crystal","Dalton Transactions","2022","","","","","10.1039/D2DT01522F","","","0.71073","MoKα","","0.0147","0.0137","","","0.034","0.0343","","","","","","1.144","","","","has coordinates","275845","2022-06-06","22:58:05",""
"7710412","13.8479","0.0001","9.6096","0.0001","16.3317","0.0001","90","","97.478","0.001","90","","2154.82","0.03","100.2","0.6","100.2","0.6","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 F2 Fe N4 O4 -","- C26 H16 F2 Fe N4 O4 -","- C104 H64 F8 Fe4 N16 O16 -","4","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.074","0.0741","","","","","","1.13","","","","has coordinates","276616","2022-07-06","08:08:46",""
"7710413","16.3388","0.0004","9.7015","0.0002","13.8237","0.0003","90","","97.072","0.002","90","","2174.54","0.08","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 F2 N4 O4 Zn -","- C26 H16 F2 N4 O4 Zn -","- C104 H64 F8 N16 O16 Zn4 -","4","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","x-ray","1.54184","CuKα","","0.0463","0.0421","","","0.1172","0.1251","","","","","","1.088","","","","has coordinates","276616","2022-07-06","08:08:49",""
"7710414","12.662","0.003","13.378","0.003","12.892","0.003","90","","119.05","0.03","90","","1909.1","0.9","300","","300","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C42 H30 Cl2 Fe O6 P2 -","- C42 H30 Cl2 Fe O6 P2 -","- C84 H60 Cl4 Fe2 O12 P4 -","2","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","","0.71073","MoKα","","0.0649","0.0594","","","0.182","0.1903","","","","","","1.049","","","","has coordinates","276616","2022-07-06","08:08:59",""
"7710415","12.463","0.003","13.273","0.003","12.782","0.003","90","","118.94","0.03","90","","1850.4","0.9","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C42 H30 Cl2 Fe O6 P2 -","- C42 H30 Cl2 Fe O6 P2 -","- C84 H60 Cl4 Fe2 O12 P4 -","2","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","","0.71073","MoKα","","0.0689","0.063","","","0.188","0.196","","","","","","1.07","","","","has coordinates","276616","2022-07-06","08:09:05",""
"7710416","9.1152","0.0006","16.1688","0.001","7.6393","0.0004","90","","110.639","0.002","90","","1053.63","0.11","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- K5 Na O24 S6 Sm2 -","- K5 Na O24 S6 Sm2 -","- K10 Na2 O48 S12 Sm4 -","2","0.25","","Storm Thomsen, Maria; Sørensen, Thomas Just","Delicate, a study of the structural changes in ten-coordinated La(iii), Ce(iii), Pr(iii), Nd(iii), Sm(iii) and Eu(iii) sulfates","Dalton Transactions","2022","","","","","10.1039/D2DT00832G","","","0.71073","MoKα","","0.019","0.0168","","","0.0436","0.0443","","","","","","1.12","","","","has coordinates","275888","2022-06-07","22:58:34",""
"7710417","9.1782","0.0012","16.31","0.002","7.6728","0.001","90","","111.128","0.004","90","","1071.4","0.2","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- K6 O24 Pr2 S6 -","- K6 O24 Pr2 S6 -","- K12 O48 Pr4 S12 -","2","0.25","","Storm Thomsen, Maria; Sørensen, Thomas Just","Delicate, a study of the structural changes in ten-coordinated La(iii), Ce(iii), Pr(iii), Nd(iii), Sm(iii) and Eu(iii) sulfates","Dalton Transactions","2022","","","","","10.1039/D2DT00832G","","","0.71073","MoKα","","0.0262","0.0232","","","0.0606","0.0617","","","","","","1.108","","","","has coordinates,has disorder","275888","2022-06-07","22:58:34",""
"7710418","9.1884","0.0007","16.3639","0.0013","7.6768","0.0006","90","","111.324","0.003","90","","1075.25","0.15","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ce2 K6 O24 S6 -","- Ce2 K5.999 O24 S6 -","- Ce4 K11.998 O48 S12 -","2","0.25","","Storm Thomsen, Maria; Sørensen, Thomas Just","Delicate, a study of the structural changes in ten-coordinated La(iii), Ce(iii), Pr(iii), Nd(iii), Sm(iii) and Eu(iii) sulfates","Dalton Transactions","2022","","","","","10.1039/D2DT00832G","","","0.71073","MoKα","","0.0266","0.025","","","0.0702","0.0708","","","","","","1.135","","","","has coordinates,has disorder","275888","2022-06-07","22:58:34",""
"7710419","9.1404","0.0006","16.2841","0.0011","7.6453","0.0005","90","","110.991","0.002","90","","1062.43","0.12","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- K5 Na Nd2 O24 S6 -","- K5.001 Na Nd2 O24 S6 -","- K10.002 Na2 Nd4 O48 S12 -","2","0.25","","Storm Thomsen, Maria; Sørensen, Thomas Just","Delicate, a study of the structural changes in ten-coordinated La(iii), Ce(iii), Pr(iii), Nd(iii), Sm(iii) and Eu(iii) sulfates","Dalton Transactions","2022","","","","","10.1039/D2DT00832G","","","0.71073","MoKα","","0.0318","0.0265","","","0.065","0.0672","","","","","","1.1","","","","has coordinates,has disorder","275888","2022-06-07","22:58:34",""
"7710420","9.2182","0.0006","16.3683","0.0009","7.7108","0.0004","90","","111.243","0.002","90","","1084.4","0.11","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- K6 La2 O24 S6 -","- K6 La2 O24 S6 -","- K12 La4 O48 S12 -","2","0.25","","Storm Thomsen, Maria; Sørensen, Thomas Just","Delicate, a study of the structural changes in ten-coordinated La(iii), Ce(iii), Pr(iii), Nd(iii), Sm(iii) and Eu(iii) sulfates","Dalton Transactions","2022","","","","","10.1039/D2DT00832G","","","0.71073","MoKα","","0.0245","0.0219","","","0.0572","0.0583","","","","","","1.105","","","","has coordinates,has disorder","275888","2022-06-07","22:58:34",""
"7710421","13.2069","0.0004","16.4828","0.0006","22.8799","0.0008","90","","90","","90","","4980.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H45 N4 O14 P3 -","- C13 H41 N4 O14 P3 -","- C104 H328 N32 O112 P24 -","8","1","","Pazderová, Lucia; Benešová, Martina; Havlíčková, Jana; Vojtíčková, Margareta; Kotek, Jan; Lubal, Přemysl; Ullrich, Martin; Walther, Martin; Schulze, Sabine; Neuber, Christin; Rammelt, Stefan; Pietzsch, Hans-Jürgen; Pietzsch, Jens; Kubíček, Vojtěch; Hermann, Petr","Cyclam with a phosphinate-bis(phosphonate) pendant arm is a bone-targeting carrier of copper radionuclides.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9541","9555","10.1039/d2dt01172g","","","1.54178","CuKα","","0.0619","0.0533","","","0.1403","0.1463","","","","","","1.056","","","","has coordinates,has disorder","276608","2022-07-06","08:07:05",""
"7710422","12.788","0.002","31.897","0.005","13.843","0.002","90","","112.173","0.002","90","","5229","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H43 Mo12 N6 O52 P -","- C12 H23 Mo12 N6 O52 P -","- C48 H92 Mo48 N24 O208 P4 -","4","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0573","0.0494","","","0.1407","0.1448","","","","","","1.14","","","","has coordinates","276619","2022-07-06","08:10:27",""
"7710423","12.7308","0.0012","13.051","0.0012","18.0332","0.0017","97.897","0.001","105.218","0.001","105.907","0.001","2708.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Mo12 N6 O56 P -","- C12 H31 Mo12 N6 O56 P -","- C24 H62 Mo24 N12 O112 P2 -","2","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0296","0.0263","","","0.067","0.0686","","","","","","1.062","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710424","19.443","0.008","12.745","0.005","19.657","0.008","90","","105.275","0.005","90","","4699","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16.5 Mo12 N2 Na0.5 O46 P -","- C4 H9 Mo12 N2 Na0.5 O46 P -","- C16 H36 Mo48 N8 Na2 O184 P4 -","4","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.1333","0.0991","","","0.206","0.2184","","","","","","1.175","","","","has coordinates,has disorder","276619","2022-07-06","08:10:28",""
"7710425","21.135","0.003","12.9339","0.0016","19.455","0.002","90","","111.185","0.002","90","","4958.8","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H34 Mo12 N4 Na O54 P -","- C8 H17 Mo12 N4 Na O54 P -","- C32 H68 Mo48 N16 Na4 O216 P4 -","4","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0355","0.0304","","","0.1062","0.1092","","","","","","1.108","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710426","12.765","0.003","19.68","0.005","37.663","0.01","90","","90","","90","","9462","4","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C4 H23 Mo12 N2 Na0.5 O47 P -","- C4 H8 Mo12 N2 Na0.935 O47 P -","- C32 H64 Mo96 N16 Na7.48 O376 P8 -","8","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0703","0.0553","","","0.1763","0.1858","","","","","","1.078","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710427","17.3441","0.0013","23.078","0.002","25.295","0.002","90","","90","","90","","10124.8","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H36 Mo12 N4 Na O55 P -","- C8 H17 Mo12 N4 Na O54 P -","- C64 H136 Mo96 N32 Na8 O432 P8 -","8","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0419","0.0373","","","0.1177","0.1212","","","","","","1.008","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710428","13.0207","0.0007","24.9378","0.0013","14.6486","0.0007","90","","104.173","0.001","90","","4611.7","0.4","220","","220","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 Cl2 Co P2 Ru S3 -","- C50 H53 Cl2 Co P2 Ru S3 -","- C200 H212 Cl8 Co4 P8 Ru4 S12 -","4","1","","Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping","Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01534J","","","0.71073","MoKα","","0.0409","0.0327","","","0.0773","0.0841","","","","","","1.12","","","","has coordinates,has disorder","275891","2022-06-07","23:05:50",""
"7710429","12.0693","0.001","27.421","0.002","18.1837","0.0015","90","","101.051","0.002","90","","5906.3","0.8","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C65 H69 B Cl3 Co P2 Ru S3 -","- C65 H69 B Cl3 Co P2 Ru S3 -","- C260 H276 B4 Cl12 Co4 P8 Ru4 S12 -","4","1","","Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping","Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01534J","","","0.71073","MoKα","","0.1166","0.0537","","","0.0981","0.1188","","","","","","1.016","","","","has coordinates","275891","2022-06-07","23:05:50",""
"7710430","11.46","0.003","30.325","0.006","21.269","0.004","90","","94.809","0.004","90","","7365","3","233","","233","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C82 H91 B Cl Co O2 P2 Ru S3 -","- C82 H91 B Cl Co O2 P2 Ru S3 -","- C328 H364 B4 Cl4 Co4 O8 P8 Ru4 S12 -","4","1","","Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping","Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01534J","","","0.71073","MoKα","","0.1394","0.0749","","","0.1578","0.1777","","","","","","1.062","","","","has coordinates","275891","2022-06-07","23:05:50",""
"7710431","12.0693","0.0009","14.271","0.001","35.98","0.003","90","","93.294","0.002","90","","6187","0.8","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H69 B Cl3 Co N2 P2 Ru S3 -","- C65 H69 B Cl3 Co N2 P2 Ru S3 -","- C260 H276 B4 Cl12 Co4 N8 P8 Ru4 S12 -","4","1","","Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping","Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01534J","","","0.71073","MoKα","","0.133","0.0932","","","0.1776","0.1882","","","","","","1.164","","","","has coordinates,has disorder","275891","2022-06-07","23:05:51",""
"7710432","11.4855","0.001","12.544","0.0011","15.9637","0.0014","94.842","0.002","105.592","0.002","93.863","0.002","2197.7","0.3","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H55 Cl2 Co O P2 Ru S3 -","- C44 H55 Cl2 Co O P2 Ru S3 -","- C88 H110 Cl4 Co2 O2 P4 Ru2 S6 -","2","1","","Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping","Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01534J","","","0.71073","MoKα","","0.1323","0.0581","","","0.1031","0.1268","","","","","","1.021","","","","has coordinates","275891","2022-06-07","23:05:51",""
"7710433","4.996","0.003","4.996","0.003","14.335","0.012","90","","90","","120","","309.9","0.4","273","2","273","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ge Li2 O6 Te -","- Ge Li2 O6 Te -","- Ge3 Li6 O18 Te3 -","3","0.333333","","Wang, Dan; Zhang, Yunxi; Liu, Qian; Zhang, Bingbing; Yang, Daqing; Wang, Ying","Band gap modulation and nonlinear optical properties of quaternary tellurates Li<sub>2</sub>GeTeO<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01320g","","x-ray","0.71073","MoKα","","0.0424","0.0323","","","0.0575","0.0598","","","","","","1.085","","","","has coordinates","275892","2022-06-07","23:08:58",""
"7710434","15.9914","0.0008","10.2501","0.0004","8.2441","0.0004","90","","106.39","0.004","90","","1296.41","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cl2 N2 Pb -","- C12 H8 Cl2 N2 Pb -","- C48 H32 Cl8 N8 Pb4 -","4","0.5","","Tian, Xu-Ke; Zhang, Ji-Rui; Wen, Meng-Yao; Liu, Zi-Han; Guo, Jia-hui; Ma, Cheng-Yu; Zhang, Hao-Yi; Yang, Xiao-Gang; Ma, Lufang","Red room temperature phosphorescence of lead halide based coordination polymer showing efficient angle-dependent polarized emission and photoelectric performance","Dalton Transactions","2022","","","","","10.1039/D2DT01196D","","","0.71073","MoKα","","0.041","0.0393","","","0.0954","0.099","","","","","","0.8932","","","","has coordinates","275893","2022-06-07","23:09:20",""
"7710435","11.672","0.005","11.727","0.005","24.284","0.009","81.355","0.014","87.766","0.014","89.663","0.011","3284","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120.5 H117 Cl5 F12 N26 P2 Ru5 -","- C118 H112 F12 N26 P2 Ru5 -","- C118 H112 F12 N26 P2 Ru5 -","1","0.5","","Su, Shaodong; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu","The multiple MMCT properties of a diruthenium-based cyanido-bridged complex Ru2VI-NC-RuII-CN-Ru2VI","Dalton Transactions","2022","","","","","10.1039/D2DT00408A","","","0.71073","MoKα","","0.107","0.0829","","","0.1974","0.216","","","","","","1.105","","","","has coordinates,has disorder","275894","2022-06-07","23:09:48",""
"7710436","16.455","0.003","8.7878","0.0018","20.761","0.004","90","","93.15","0.03","90","","2997.6","1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 O8.5 Pr -","- C25 H21 N4 O8.5 Pr -","- C100 H84 N16 O34 Pr4 -","4","1","","Jiang, Wen; Yu, Cai-Xia; Yu, Ming-Xuan; Ding, Jing; Song, Jian-Guo; Sun, Xueqin; Liu, Lei-Lei","Efficient and selective removal of Pb2+ from aqueous solution by using a O− functionalized metal-organic framework","Dalton Transactions","2022","","","","","10.1039/D2DT01117D","","","0.71073","MoKα","","0.0433","0.0317","","","0.0716","0.0749","","","","","","1.067","","","","has coordinates,has disorder","275895","2022-06-07","23:10:14",""
"7710437","17.9509","0.0006","12.1508","0.0006","22.0864","0.0011","90","","107.443","0.003","90","","4595.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(21,26-dihydroxynaphthalin)-C5,C17-(1-hydroxybenzol)-phenanzin-6-on","","- C28 H22 N2 O6 -","- C28 H22 N2 O6 -","- C224 H176 N16 O48 -","8","1","","Schumann, Henrik; Klein, Marius; Prinzisky, Christian; Burghaus, Olaf; Sundermeyer, Jörg","Juglophen: a tetradentate non-innocent electron sponge naphthoquinone-imine ligand and its reduced and oxidized nickel complexes [Ni(jp)]<sup>-,0,+</sup> .","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9348","9356","10.1039/d1dt03927j","","","0.71073","MoKα","","0.0933","0.0542","","","0.1054","0.1184","","","","","","1.047","","","","has coordinates,has disorder","276611","2022-07-06","08:07:32",""
"7710438","8.132","0.0003","15.8283","0.0006","17.4326","0.0007","90","","94.582","0.002","90","","2236.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Juglophen","","","- C27 H18 Cl2 N2 O4 -","- C27 H18 Cl2 N2 O4 -","- C108 H72 Cl8 N8 O16 -","4","1","","Schumann, Henrik; Klein, Marius; Prinzisky, Christian; Burghaus, Olaf; Sundermeyer, Jörg","Juglophen: a tetradentate non-innocent electron sponge naphthoquinone-imine ligand and its reduced and oxidized nickel complexes [Ni(jp)]<sup>-,0,+</sup> .","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9348","9356","10.1039/d1dt03927j","","","0.71073","MoKα","","0.0574","0.0457","","","0.1085","0.1153","","","","","","1.059","","","","has coordinates","276611","2022-07-06","08:07:32",""
"7710439","15.3117","0.0009","11.8026","0.0007","22.8954","0.0014","90","","102.081","0.002","90","","4046","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(juglophen)]","","","- C53 H30 Cl1.88 N4 Ni2 O8 -","- C53 H30 Cl1.884 N4 Ni2 O8 -","- C212 H120 Cl7.536 N16 Ni8 O32 -","4","1","","Schumann, Henrik; Klein, Marius; Prinzisky, Christian; Burghaus, Olaf; Sundermeyer, Jörg","Juglophen: a tetradentate non-innocent electron sponge naphthoquinone-imine ligand and its reduced and oxidized nickel complexes [Ni(jp)]<sup>-,0,+</sup> .","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9348","9356","10.1039/d1dt03927j","","","0.71073","MoKα","","0.0363","0.0335","","","0.084","0.0857","","","","","","1.105","","","","has coordinates,has disorder","276611","2022-07-06","08:07:32",""
"7710440","7.313","0.0004","13.2786","0.0008","14.406","0.0008","96.397","0.002","103.288","0.002","103.5","0.002","1303.55","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","1_100","","- C46 H38 Fe3 N18 O4 Pt3 -","- C46 H38 Fe3 N18 O4 Pt3 -","- C46 H38 Fe3 N18 O4 Pt3 -","1","0.5","","Xu, Luonan; Xie, Zixi; Zenere, Katrina A.; Clegg, Jack K.; Kenny, Elise; Rijs, Nicole J.; Jameson, Guy N. L.; Kepert, Cameron J.; Powell, Benjamin J.; Neville, Suzanne M.","Co-existence of five- and six-coordinate iron(ii) species captured in a geometrically strained spin-crossover Hofmann framework","Dalton Transactions","2022","","","","","10.1039/D2DT01371A","","","0.71073","MoKα","","0.0358","0.0292","","","0.0669","0.0699","","","","","","1.045","","","","has coordinates","275897","2022-06-07","23:11:45",""
"7710441","7.398","0.004","13.352","0.009","14.812","0.007","96.57","0.03","102.935","0.016","103.22","0.03","1366.9","1.4","250","","250","","","","","","","","","6","P -1","-P 1","2","","1_250","","- C44 H32 Fe3 N18 O3 Pt3 -","- C44 H32 Fe3 N18 O3 Pt3 -","- C44 H32 Fe3 N18 O3 Pt3 -","1","0.5","","Xu, Luonan; Xie, Zixi; Zenere, Katrina A.; Clegg, Jack K.; Kenny, Elise; Rijs, Nicole J.; Jameson, Guy N. L.; Kepert, Cameron J.; Powell, Benjamin J.; Neville, Suzanne M.","Co-existence of five- and six-coordinate iron(ii) species captured in a geometrically strained spin-crossover Hofmann framework","Dalton Transactions","2022","","","","","10.1039/D2DT01371A","","","0.71073","MoKα","","0.0402","0.0329","","","0.0822","0.0854","","","","","","1.067","","","","has coordinates","275897","2022-06-07","23:11:46",""
"7710442","18.6214","0.0007","10.4194","0.0003","10.7159","0.0004","90","","99.341","0.002","90","","2051.57","0.12","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H26 B18 Br2 -","- C6 H26 B18 Br2 -","- C24 H104 B72 Br8 -","4","0.5","","Anderson, Kierstyn P.; Hua, Ash Sueh; Plumley, John B.; Ready, Austin D.; Rheingold, Arnold L.; Peng, Thomas L.; Djurovich, Peter I.; Kerestes, Christopher; Snyder, Neil A.; Andrews, Andrew; Caram, Justin R.; Spokoyny, Alexander M.","Benchmarking the dynamic luminescence properties and UV stability of B<sub>18</sub>H<sub>22</sub>-based materials.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9223","9228","10.1039/d2dt01225a","","x-ray","0.71073","MoKα","K-L~3~","0.0256","0.0227","","","0.0595","0.0607","","","","","","1.101","","","","has coordinates","276615","2022-07-06","08:08:27",""
"7710443","12.1135","0.0005","13.4028","0.0006","14.546","0.0008","86.133","0.004","83.12","0.004","78.119","0.004","2292.15","0.19","100.5","0.7","100.5","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C40 H37 O14 Ru2 -","- C40 H37 O14 Ru2 -","- C80 H74 O28 Ru4 -","2","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis","Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01466A","","x-ray","0.71073","MoKα","","0.116","0.1037","","","0.2791","0.2976","","","","","","1.255","","","","has coordinates","275930","2022-06-08","22:57:24",""
"7710444","18.9906","0.0007","20.0361","0.0009","14.819","0.0006","90","","90","","90","","5638.6","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H40 Cl2 N8 O14 Ru2 -","- C60 H40 Cl2 N8 O14 Ru2 -","- C240 H160 Cl8 N32 O56 Ru8 -","4","0.5","","Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis","Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01466A","","x-ray","0.71073","MoKα","","0.1114","0.0843","","","0.1834","0.1985","","","","","","1.07","","","","has coordinates","275930","2022-06-08","22:57:25",""
"7710445","10.5921","0.0002","10.6083","0.0003","17.9619","0.0004","101.563","0.002","93.856","0.002","117.094","0.003","1731","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N6 O6 Ru -","- C42 H26 N6 O6 Ru -","- C84 H52 N12 O12 Ru2 -","2","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar; Arya, Yogita; Jimenez-Aparicio, Reyes; Priego, Jose Luis","Bidirectional noninnocence of hinge like deprotonated bis-lawsone on selective ruthenium platform. A function of varying ancillary ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01466A","","x-ray","0.71073","MoKα","","0.0719","0.0677","","","0.1969","0.2025","","","","","","1.071","","","","has coordinates","275930","2022-06-08","22:57:25",""
"7710446","11.9134","0.0019","17.617","0.003","23.058","0.004","90","","96.416","0.005","90","","4809.1","1.4","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C169 H150 Ag4 Cl14 N12 O4 P8 S8 -","- C169 H150 Ag4 Cl14 N12 O4 P8 S8 -","- C169 H150 Ag4 Cl14 N12 O4 P8 S8 -","1","0.25","","Varna, Despoina; Geromichalou, Elena; Hatzidimitriou, Antonios G.; Papi, Rigini; Psomas, George; Dalezis, Panagiotis; Aslanidis, Paraskevas; Choli-Papadopoulou, Theodora; Trafalis, Dimitrios T.; Angaridis, Panagiotis A.","Silver(I) complexes bearing heterocyclic thioamide ligands with NH<sub>2</sub> and CF<sub>3</sub> substituents: effect of ligand group substitution on antibacterial and anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9412","9431","10.1039/d2dt00793b","","","0.71073","MoKα","","0.0769","0.0498","","0.1283","0.1234","0.1234","","","","","","1","","","","has coordinates,has disorder","276606","2022-07-06","08:03:35",""
"7710447","12.2334","0.0004","13.1115","0.0005","14.1839","0.0006","116.665","0.0018","96.1758","0.0019","110.532","0.0018","1806.01","0.13","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H62 Ag2 F6 N6 O2 P4 S2 -","- C80 H62 Ag2 F6 N6 O2 P4 S2 -","- C80 H62 Ag2 F6 N6 O2 P4 S2 -","1","0.5","","Varna, Despoina; Geromichalou, Elena; Hatzidimitriou, Antonios G.; Papi, Rigini; Psomas, George; Dalezis, Panagiotis; Aslanidis, Paraskevas; Choli-Papadopoulou, Theodora; Trafalis, Dimitrios T.; Angaridis, Panagiotis A.","Silver(I) complexes bearing heterocyclic thioamide ligands with NH<sub>2</sub> and CF<sub>3</sub> substituents: effect of ligand group substitution on antibacterial and anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9412","9431","10.1039/d2dt00793b","","","0.71073","MoKα","","0.0813","0.0442","","0.0733","0.0606","0.0606","","","","","","1","","","","has coordinates","276606","2022-07-06","08:03:37",""
"7710448","13.2769","0.0009","13.8823","0.0011","14.9385","0.0018","108.182","0.005","99.351","0.005","118.341","0.003","2137.6","0.4","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C78 H66 Ag2 Cl4 N6 O3 P4 S4 -","- C78 H66 Ag2 Cl4 N6 O3 P4 S4 -","- C78 H66 Ag2 Cl4 N6 O3 P4 S4 -","1","0.5","","Varna, Despoina; Geromichalou, Elena; Hatzidimitriou, Antonios G.; Papi, Rigini; Psomas, George; Dalezis, Panagiotis; Aslanidis, Paraskevas; Choli-Papadopoulou, Theodora; Trafalis, Dimitrios T.; Angaridis, Panagiotis A.","Silver(I) complexes bearing heterocyclic thioamide ligands with NH<sub>2</sub> and CF<sub>3</sub> substituents: effect of ligand group substitution on antibacterial and anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9412","9431","10.1039/d2dt00793b","","","0.71073","MoKα","","0.0623","0.0396","","0.0856","0.0785","0.0785","","","","","","1","","","","has coordinates,has disorder","276606","2022-07-06","08:03:37",""
"7710449","13.3274","0.0015","13.6558","0.0016","15.1027","0.0016","66.66","0.005","63.967","0.005","77.579","0.006","2264.8","0.5","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C79 H72 Ag2 Cl2 N8 O10 P4 S4 -","- C79 H72 Ag2 Cl2 N8 O10 P4 S4 -","- C79 H72 Ag2 Cl2 N8 O10 P4 S4 -","1","0.5","","Varna, Despoina; Geromichalou, Elena; Hatzidimitriou, Antonios G.; Papi, Rigini; Psomas, George; Dalezis, Panagiotis; Aslanidis, Paraskevas; Choli-Papadopoulou, Theodora; Trafalis, Dimitrios T.; Angaridis, Panagiotis A.","Silver(I) complexes bearing heterocyclic thioamide ligands with NH<sub>2</sub> and CF<sub>3</sub> substituents: effect of ligand group substitution on antibacterial and anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9412","9431","10.1039/d2dt00793b","","","0.71073","MoKα","","0.0938","0.0479","","0.1251","0.1002","0.1002","","","","","","1.0001","","","","has coordinates","276606","2022-07-06","08:03:37",""
"7710450","7.4049","0.0003","10.627","0.0004","12.0415","0.0005","104.41","0.002","101.754","0.002","107.114","0.001","836.94","0.06","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 I N3 S2 Zn -","- C13 H18 I N3 S2 Zn -","- C26 H36 I2 N6 S4 Zn2 -","2","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.0259","0.0208","","","0.0399","0.0412","","","","","","1.05","","","","has coordinates","275932","2022-06-08","23:00:05",""
"7710451","7.4771","0.001","26.631","0.004","11.1219","0.0014","90","","107.701","0.002","90","","2109.8","0.5","120","","120","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C17 H27 Cl2 N3 O S2 Zn -","- C17 H27 Cl2 N3 O S2 Zn -","- C68 H108 Cl8 N12 O4 S8 Zn4 -","4","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.024","0.0224","","","0.0519","0.0526","","","","","","1.048","","","","has coordinates","275932","2022-06-08","23:00:06",""
"7710452","9.3375","0.0007","10.4522","0.0008","12.1145","0.001","113.635","0.002","90.407","0.002","108.202","0.002","1017","0.14","119.99","","119.99","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 Cl N3 O S2 Zn -","- C17 H26 Cl N3 O S2 Zn -","- C34 H52 Cl2 N6 O2 S4 Zn2 -","2","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.046","0.0377","","","0.0764","0.079","","","","","","1.091","","","","has coordinates","275932","2022-06-08","23:00:06",""
"7710453","10.4962","0.0009","15.1654","0.0013","17.7981","0.0015","72.637","0.001","78.326","0.001","89.942","0.001","2642.7","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H28 F3 N5 O3 S3 Zn -","- C21 H28 F3 N5 O3 S3 Zn -","- C84 H112 F12 N20 O12 S12 Zn4 -","4","2","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.0569","0.036","","","0.071","0.078","","","","","","1.006","","","","has coordinates","275932","2022-06-08","23:00:06",""
"7710454","12.1614","0.0006","12.5289","0.0006","23.8236","0.0012","92.007","0.002","104.281","0.002","116.218","0.001","3112.3","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 F9 Fe3 N9 O9 S9 -","- C42 H54 F9 Fe3 N9 O9 S9 -","- C84 H108 F18 Fe6 N18 O18 S18 -","2","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.1018","0.0736","","","0.1613","0.1743","","","","","","1.095","","","","has coordinates,has disorder","275932","2022-06-08","23:00:06",""
"7710455","12.1151","0.001","12.5801","0.0011","23.7692","0.0019","91.153","0.003","104.608","0.003","116.404","0.003","3103.1","0.5","119.98","","119.98","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 F9 N9 O9 S9 Zn3 -","- C42 H54 F9 N9 O9 S9 Zn3 -","- C84 H108 F18 N18 O18 S18 Zn6 -","2","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.0347","0.031","","","0.0707","0.0723","","","","","","1.056","","","","has coordinates,has disorder","275932","2022-06-08","23:00:06",""
"7710456","7.3772","0.0005","11.7069","0.0008","12.713","0.0008","79.604","0.002","83.267","0.002","81.096","0.002","1062.39","0.12","119.99","","119.99","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 Cl2 Fe N3 O S2 -","- C17 H26 Cl2 Fe N3 O S2 -","- C34 H52 Cl4 Fe2 N6 O2 S4 -","2","1","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.0385","0.0337","","","0.0829","0.0849","","","","","","1.078","","","","has coordinates","275932","2022-06-08","23:00:06",""
"7710457","10.3083","0.0006","13.1828","0.0009","22.5513","0.0015","78.421","0.002","79.935","0.002","77.547","0.002","2903.7","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H126 F3 N29 O18 S13 Zn6 -","- C91 H126 F3 N29 O18 S13 Zn6 -","- C91 H126 F3 N29 O18 S13 Zn6 -","1","0.5","","Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.","Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01339H","","","0.71073","MoKα","","0.0397","0.0356","","","0.0931","0.0963","","","","","","1.027","","","","has coordinates,has disorder","275932","2022-06-08","23:00:06",""
"7710458","8.6076","0.0007","11.4314","0.001","14.1068","0.0013","111.16","0.003","92.134","0.003","105.776","0.003","1231.46","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Co2 N18 O8 S4 -","- C44 H44 Co2 N18 O8 S4 -","- C44 H44 Co2 N18 O8 S4 -","1","0.5","","Shao, Dong; Moorthy, Shruti; Zhou, Yue; Wu, Si-Tong; Zhu, Jing-Yan; Yang, Jiong; Wu, Dong-Qing; Tian, Zhengfang; Singh, Saurabh Kumar","Field-induced slow magnetic relaxation behaviours in binuclear cobalt(II) metallocycles and exchange-coupled clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9357","9368","10.1039/d2dt01620f","","","0.71073","MoKα","","0.0874","0.051","","","0.0933","0.1061","","","","","","1.009","","","","has coordinates","276614","2022-07-06","08:08:10",""
"7710459","32.763","0.0016","9.1196","0.0005","26.128","0.002","90","","125.539","0.001","90","","6352.4","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H69 Co2 N15 O11 S4 -","- C53 H69 Co2 N15 O11 S4 -","- C212 H276 Co8 N60 O44 S16 -","4","0.5","","Shao, Dong; Moorthy, Shruti; Zhou, Yue; Wu, Si-Tong; Zhu, Jing-Yan; Yang, Jiong; Wu, Dong-Qing; Tian, Zhengfang; Singh, Saurabh Kumar","Field-induced slow magnetic relaxation behaviours in binuclear cobalt(II) metallocycles and exchange-coupled clusters.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9357","9368","10.1039/d2dt01620f","","","0.71073","MoKα","","0.0431","0.0376","","","0.0982","0.1024","","","","","","1.028","","","","has coordinates,has disorder","276614","2022-07-06","08:08:20",""
"7710460","5.4305","0.0001","5.4305","0.0001","26.3501","0.0003","90","","90","","120","","672.965","0.019","289.9","0.8","289.9","0.8","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba3 Bi Eu O13 Pb -","- B4 Ba3 Bi Eu O13 Pb -","- B8 Ba6 Bi2 Eu2 O26 Pb2 -","2","0.0833333","","Chen, Xuean; Bian, Ruru; Xiao, Weiqiang; Song, Xiaoyan","A new rare-earth oxyborate Ba<sub>3</sub>BiPbEuO(BO<sub>3</sub>)<sub>4</sub> and the luminescence properties of the Ba<sub>3</sub>BiPbY<sub>1-<i>x</i></sub>Eu<sub><i>x</i></sub>O(BO<sub>3</sub>)<sub>4</sub> phosphors.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9454","9466","10.1039/d2dt01063a","","x-ray","0.71073","MoKα","","0.0526","0.0507","","","0.106","0.1069","","","","","","1.212","","","","has coordinates","276604","2022-07-06","08:02:59",""
"7710461","7.3804","0.0015","8.0849","0.0016","8.402","0.0017","85.36","0.03","78.15","0.03","78.3","0.03","480.06","0.18","163","2","163.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 K2 Mn N8 O16 -","- C6 H12 K2 Mn N8 O16 -","- C6 H12 K2 Mn N8 O16 -","1","0.5","","Dong, Wen-Shuai; Cao , Wen-Li; Tariq, Qamar-un- Nisa; Wu, Xiaowei; Hu, Yong; Zhang, Chao; Zhang, Jianguo","Energetic bimetallic complexes as catalysts affect the thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT00593J","","","0.71073","MoKα","","0.0447","0.0415","","","0.1031","0.1064","","","","","","1.079","","","","has coordinates,has disorder","275947","2022-06-09","22:58:35",""
"7710462","9.6977","0.0009","10.0862","0.0011","11.8631","0.0012","114.322","0.005","93.987","0.002","110.45","0.004","959.28","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 K2 N8 O16 Zn -","- C6 H12 K2 N8 O16 Zn -","- C12 H24 K4 N16 O32 Zn2 -","2","1","","Dong, Wen-Shuai; Cao , Wen-Li; Tariq, Qamar-un- Nisa; Wu, Xiaowei; Hu, Yong; Zhang, Chao; Zhang, Jianguo","Energetic bimetallic complexes as catalysts affect the thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT00593J","","","0.71073","MoKα","","0.0563","0.043","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","275947","2022-06-09","22:58:37",""
"7710463","13.3452","0.0008","14.1062","0.0008","10.0517","0.0006","90","","94.62","0.002","90","","1886.08","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O3 Ti -","- C21 H30 O3 Ti -","- C84 H120 O12 Ti4 -","4","1","","Pinkas, Jiri; Gyepes, Róbert; Polášek, Miroslav; Mach, Karel; Horacek, Michal","Reactions of permethyltitanocene tucked-in derivatives with carbon dioxide","Dalton Transactions","2022","","","","","10.1039/D2DT01344D","","","0.71073","MoKα","","0.0387","0.0325","","","0.0843","0.089","","","","","","1.062","","","","has coordinates","275964","2022-06-10","22:47:51",""
"7710464","8.6607","0.0006","12.481","0.001","18.5972","0.0015","79.171","0.003","82.108","0.003","71.927","0.003","1870.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H62 O2 Ti2 -","- C41 H62 O2 Ti2 -","- C82 H124 O4 Ti4 -","2","1","","Pinkas, Jiri; Gyepes, Róbert; Polášek, Miroslav; Mach, Karel; Horacek, Michal","Reactions of permethyltitanocene tucked-in derivatives with carbon dioxide","Dalton Transactions","2022","","","","","10.1039/D2DT01344D","","","0.71073","MoKα","","0.0581","0.0502","","","0.1205","0.1274","","","","","","1.085","","","","has coordinates","275964","2022-06-10","22:47:52",""
"7710465","14.8155","0.0003","15.1689","0.0003","15.7197","0.0003","90","","96.329","0.001","90","","3511.23","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 O2 Ti2 -","- C41 H56 O2 Ti2 -","- C164 H224 O8 Ti8 -","4","1","","Pinkas, Jiri; Gyepes, Róbert; Polášek, Miroslav; Mach, Karel; Horacek, Michal","Reactions of permethyltitanocene tucked-in derivatives with carbon dioxide","Dalton Transactions","2022","","","","","10.1039/D2DT01344D","","","1.54178","CuKα","","0.0917","0.0621","","","0.1417","0.1614","","","","","","1.056","","","","has coordinates","275964","2022-06-10","22:47:52",""
"7710466","16.0003","0.001","10.4835","0.0006","15.7604","0.001","90","","112.152","0.002","90","","2448.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cl O2 Si Ti -","- C24 H38 Cl O2 Si Ti -","- C96 H152 Cl4 O8 Si4 Ti4 -","4","1","","Pinkas, Jiri; Gyepes, Róbert; Polášek, Miroslav; Mach, Karel; Horacek, Michal","Reactions of permethyltitanocene tucked-in derivatives with carbon dioxide","Dalton Transactions","2022","","","","","10.1039/D2DT01344D","","","0.71073","MoKα","","0.076","0.0707","","","0.1571","0.1588","","","","","","1.246","","","","has coordinates","275964","2022-06-10","22:47:52",""
"7710467","9.653","0.003","9.994","0.003","17.068","0.005","96.175","0.011","99.797","0.011","95.144","0.011","1603.3","0.8","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl3 O P2 Re -","- C34 H32 Cl3 O P2 Re -","- C68 H64 Cl6 O2 P4 Re2 -","2","1","","Tang, Junping; Wang, Yilun; Bai, Wei; Zhou, Yan; Yu, Wenyan; Li, Yang","α-Rhenabenzofuran with nonaromatic T<sub>0</sub> and aromatic S<sub>1</sub> states.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9495","9500","10.1039/d2dt01001a","","","0.71073","MoKα","","0.038","0.0331","","","0.0898","0.0934","","","","","","1.088","","","","has coordinates","276609","2022-07-06","08:07:15",""
"7710468","7.7391","0.0003","20.7813","0.0008","20.1509","0.0009","90","","98.408","0.003","90","","3206","0.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H62 B2 Co F14 N20 O2 -","- C62 H62 B2 Co F14 N20 O2 -","- C124 H124 B4 Co2 F28 N40 O4 -","2","0.5","","Nößler, Maite; Hunger, David; Neuman, Nicolás Ignacio; Reimann, Marc; Reichert, Felix; Winkler, Mario; Klein, Johannes; Bens, Tobias; Suntrup, Lisa; Demeshko, Serhiy; Stubbe, Jessica; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Fluorinated Click-Derived Tripodal Ligands Drive Spin Crossover in both Iron(II) and Cobalt(II) Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01005D","","","1.54178","CuKα","","0.1219","0.0928","","","0.2113","0.2274","","","","","","1.092","","","","has coordinates,has disorder","276009","2022-06-13","22:55:10",""
"7710469","14.384","0.006","14.984","0.006","15.384","0.006","91.161","0.012","107.864","0.013","93.211","0.013","3148","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 B2 Co F14 N20 -","- C60 H54 B2 Co F14 N20 -","- C120 H108 B4 Co2 F28 N40 -","2","1","","Nößler, Maite; Hunger, David; Neuman, Nicolás Ignacio; Reimann, Marc; Reichert, Felix; Winkler, Mario; Klein, Johannes; Bens, Tobias; Suntrup, Lisa; Demeshko, Serhiy; Stubbe, Jessica; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Fluorinated Click-Derived Tripodal Ligands Drive Spin Crossover in both Iron(II) and Cobalt(II) Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01005D","","","0.71073","MoKα","","0.1004","0.0597","","","0.1362","0.1607","","","","","","1.066","","","","has coordinates,has disorder","276009","2022-06-13","22:55:11",""
"7710470","7.8403","0.0004","20.3972","0.001","19.7649","0.0009","90","","97.184","0.002","90","","3136","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 B2 F14 Fe N20 O -","- C62 H53 B2 F14 Fe N20 O -","- C124 H106 B4 F28 Fe2 N40 O2 -","2","0.5","","Nößler, Maite; Hunger, David; Neuman, Nicolás Ignacio; Reimann, Marc; Reichert, Felix; Winkler, Mario; Klein, Johannes; Bens, Tobias; Suntrup, Lisa; Demeshko, Serhiy; Stubbe, Jessica; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Fluorinated Click-Derived Tripodal Ligands Drive Spin Crossover in both Iron(II) and Cobalt(II) Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01005D","","","0.71073","MoKα","","0.0749","0.0655","","","0.1615","0.1679","","","","","","1.146","","","","has coordinates,has disorder","276009","2022-06-13","22:55:11",""
"7710471","9.9234","0.0005","10.0937","0.0005","10.7045","0.0006","90","","90","","90","","1072.2","0.1","299","2","299","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C2 H3 Cd0.5 N2 O1.5 Pt0.5 -","- C2 H3 Cd0.5 N2 O1.5 Pt0.5 -","- C16 H24 Cd4 N16 O12 Pt4 -","8","0.5","","Sergeenko, Ania S.; Paripovic, Damir; Dab, Chahinez; Blanc, Pierre-François; Reber, Christian; Leznoff, Daniel B.","Highly emissive polymorphs of anhydrous cadmium tetracyanoplatinate and their solvated coordination networks.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9531","9540","10.1039/d2dt00918h","","","0.71073","MoKα","","0.0192","0.0148","","","0.0306","0.0318","","","","","","1.076","","","","has coordinates","276612","2022-07-06","08:07:40",""
"7710472","7.5618","0.001","9.2109","0.0011","9.4735","0.001","69.236","0.006","76.287","0.007","85.858","0.008","599.34","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cd N4 O4 Pt S4 -","- C12 H24 Cd N4 O4 Pt S4 -","- C12 H24 Cd N4 O4 Pt S4 -","1","0.5","","Sergeenko, Ania S.; Paripovic, Damir; Dab, Chahinez; Blanc, Pierre-François; Reber, Christian; Leznoff, Daniel B.","Highly emissive polymorphs of anhydrous cadmium tetracyanoplatinate and their solvated coordination networks.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9531","9540","10.1039/d2dt00918h","","","0.71073","MoKα","","0.0143","0.0132","","","0.0274","0.0279","","","","","","1.062","","","","has coordinates","276612","2022-07-06","08:07:40",""
"7710473","10.7663","0.0003","16.4614","0.0004","14.4611","0.0003","90","","90.785","0.001","90","","2562.68","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 Cl4 N4 Ni2 O4 P2 -","- C50 H58 Cl4 N4 Ni2 O4 P2 -","- C100 H116 Cl8 N8 Ni4 O8 P4 -","2","0.5","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0519","0.0326","","","0.0853","0.091","","","","","","1.053","","","","has coordinates","276011","2022-06-13","22:57:58",""
"7710474","11.0823","0.0012","19.724","0.002","17.977","0.002","90","","97.34","0.003","90","","3897.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cl3 N2 P2 Rh -","- C42 H38 Cl3 N2 P2 Rh -","- C168 H152 Cl12 N8 P8 Rh4 -","4","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","0.71073","MoKα","","0.0838","0.0372","","","0.0647","0.0778","","","","","","0.997","","","","has coordinates,has disorder","276011","2022-06-13","22:57:58",""
"7710475","6.9916","0.0009","9.4534","0.001","16.8751","0.0019","90","","98.836","0.009","90","","1102.1","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H32 Cl Co N2 P -","- C23 H32 Cl Co N2 P -","- C46 H64 Cl2 Co2 N4 P2 -","2","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0809","0.0648","","","0.1636","0.1757","","","","","","0.998","","","","has coordinates","276011","2022-06-13","22:57:58",""
"7710476","18.3954","0.0009","10.9104","0.0004","19.8924","0.0009","90","","112.72","0.002","90","","3682.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Fe N4 P2 -","- C46 H40 Fe N4 P2 -","- C184 H160 Fe4 N16 P8 -","4","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","0.71073","MoKα","","0.1088","0.0468","","","0.0865","0.1025","","","","","","0.997","","","","has coordinates","276011","2022-06-13","22:57:59",""
"7710477","16.7058","0.0008","17.841","0.0009","21.8589","0.0012","90","","90","","90","","6515","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H35 N2 P2 Rh -","- C41 H35 N2 P2 Rh -","- C328 H280 N16 P16 Rh8 -","8","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0551","0.0404","","","0.092","0.0999","","","","","","1.038","","","","has coordinates","276011","2022-06-13","22:57:59",""
"7710478","12.8865","0.0005","13.4261","0.0005","18.1572","0.0007","90","","90","","90","","3141.5","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 F6 Fe N2 P2 -","- C33 H36 F6 Fe N2 P2 -","- C132 H144 F24 Fe4 N8 P8 -","4","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","0.71073","MoKα","","0.081","0.0373","","","0.0707","0.0837","","","","","","1.031","","","","has coordinates","276011","2022-06-13","22:57:59",""
"7710479","11.0025","0.0004","13.0919","0.0005","16.8984","0.0005","85.179","0.001","86.803","0.001","85.563","0.002","2415.25","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H46 B2 Cl4 F8 Fe N4 P2 -","- C48 H46 B2 Cl4 F8 Fe N4 P2 -","- C96 H92 B4 Cl8 F16 Fe2 N8 P4 -","2","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","0.71073","MoKα","","0.0723","0.0384","","","0.0787","0.0923","","","","","","1.004","","","","has coordinates,has disorder","276011","2022-06-13","22:57:59",""
"7710480","12.6141","0.0004","18.3139","0.0006","24.3958","0.0008","90","","95.214","0.002","90","","5612.4","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H70 B2 Cl4 F48 Fe N4 P2 -","- C112 H70 B2 Cl4 F48 Fe N4 P2 -","- C224 H140 B4 Cl8 F96 Fe2 N8 P4 -","2","0.5","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0545","0.0492","","","0.1224","0.1265","","","","","","1.027","","","","has coordinates,has disorder","276011","2022-06-13","22:58:00",""
"7710481","3.6249","0.0005","24.182","0.003","15.487","0.002","90","","92.123","0.006","90","","1356.6","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N8 O2 -","- C2 H8 N8 O2 -","- C16 H64 N64 O16 -","8","2","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","1.34139","GaKα","","0.0504","0.0432","","","0.1146","0.1207","","","","","","1.064","","","","has coordinates","276055","2022-06-15","22:56:23",""
"7710482","8.3985","0.0006","15.6955","0.0012","7.4981","0.0006","90","","105.102","0.003","90","","954.25","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 N11 O2 -","- C3 H11 N11 O2 -","- C12 H44 N44 O8 -","4","1","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","0.71073","MoKα","","0.0632","0.042","","","0.1035","0.1134","","","","","","1.036","","","","has coordinates","276055","2022-06-15","22:56:25",""
"7710483","21.016","0.004","3.6758","0.0007","8.0868","0.0015","90","","90","","90","","624.7","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","0.71073","MoKα","","0.0586","0.0542","","","0.1325","0.1353","","","","","","1.05","","","","has coordinates","276055","2022-06-15","22:56:25",""
"7710484","7.2673","0.0005","7.5778","0.0005","11.4906","0.0007","99.301","0.002","99.086","0.002","113.948","0.002","552.91","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H14 N12 O3 -","- C3 H14 N12 O3 -","- C6 H28 N24 O6 -","2","1","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","0.71073","MoKα","","0.0478","0.0389","","","0.1024","0.108","","","","","","1.048","","","","has coordinates","276055","2022-06-15","22:56:25",""
"7710485","8.5771","0.0004","8.9197","0.0004","9.7491","0.0005","70.68","0.001","71.552","0.001","77.668","0.001","662.73","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N12 O7 -","- C4 H14 N12 O7 -","- C8 H28 N24 O14 -","2","1","","Yang, Feng; Qin, Yaqi; Wang, Pengcheng; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","Nitrogen-rich ion salts of 1-hydroxytetrazole-5-hydrazide: a new series of high energy compounds that combine good stability and high energy performance","Dalton Transactions","2022","","","","","10.1039/D2DT01173E","","","0.71073","MoKα","","0.0447","0.0372","","","0.102","0.1074","","","","","","1.014","","","","has coordinates","276055","2022-06-15","22:56:25",""
"7710486","16.3651","0.0005","16.3651","0.0005","27.0314","0.0009","90","","90","","90","","7239.5","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.28 N4 Si7.72 -","- C60 H104 Ge2.2748 N4 Si7.7252 -","- C240 H416 Ge9.0992 N16 Si30.9008 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0182","0.0175","","","0.049","0.0493","","","","","","1.08","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710487","16.3876","0.0008","16.3876","0.0008","27.0831","0.0013","90","","90","","90","","7273.3","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge3.89 N4 Si6.11 -","- C60 H104 Ge3.89 N4 Si6.11 -","- C240 H416 Ge15.56 N16 Si24.44 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0293","0.0267","","","0.0632","0.0641","","","","","","1.077","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710488","16.3758","0.0005","16.3758","0.0005","27.0498","0.0009","90","","90","","90","","7253.9","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.9 N4 Si7.1 -","- C60 H104 Ge2.904 N4 Si7.096 -","- C240 H416 Ge11.616 N16 Si28.384 -","4","0.5","","Wang, Zheng; Liu, Yahuan; Han, Mingyang; Ma, Ning; Lyu, Quanming; Liu, Qingbin; Sun, Wen-Hua","Efficient transfer hydrogenation of ketones using molybdenum complexes by comprehensively verifying the auxiliary ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10983","10991","10.1039/d2dt01177h","","","0.71073","MoKα","","0.0188","0.0179","","","0.0476","0.0479","","","","","","1.03","","","","has coordinates,has disorder","277107","2022-08-06","11:47:35",""
"7710489","15.4691","0.0008","11.0407","0.0004","22.8109","0.001","90","","106.043","0.004","90","","3744.1","0.3","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Fe3 O4 P2 S2 -","- C40 H32 Fe3 O4 P2 S2 -","- C160 H128 Fe12 O16 P8 S8 -","4","1","","Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G.; Hartl, František; Hogarth, Graeme","Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates","Dalton Transactions","2022","","","","","10.1039/D2DT00419D","","x-ray","1.54184","CuKα","","0.0941","0.0722","","","0.174","0.1864","","","","","","1.029","","","","has coordinates","276057","2022-06-15","22:59:01",""
"7710490","11.7727","0.0004","12.3881","0.0003","18.5833","0.0003","76.239","0.002","79.887","0.002","82.837","0.002","2581.76","0.12","150","0.1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 Fe3 O4 P2 S2 -","- C50 H38 Fe3 O4 P2 S2 -","- C100 H76 Fe6 O8 P4 S4 -","2","1","","Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G.; Hartl, František; Hogarth, Graeme","Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates","Dalton Transactions","2022","","","","","10.1039/D2DT00419D","","","0.71073","MoKα","","0.0474","0.0349","","","0.0729","0.0799","","","","","","1.024","","","","has coordinates","276057","2022-06-15","22:59:02",""
"7710491","12.2873","0.0006","12.698","0.0006","18.6853","0.0009","79.137","0.004","74.698","0.004","83.481","0.004","2755.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Fe3 N2 O4 P2 S2 -","- C50 H40 Fe3 N2 O4 P2 S2 -","- C100 H80 Fe6 N4 O8 P4 S4 -","2","1","","Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G.; Hartl, František; Hogarth, Graeme","Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates","Dalton Transactions","2022","","","","","10.1039/D2DT00419D","","","0.71073","MoKα","","0.0661","0.0492","","","0.1129","0.1228","","","","","","1.039","","","","has coordinates","276057","2022-06-15","22:59:02",""
"7710492","13.1832","0.0001","19.504","0.0002","19.3262","0.0002","90","","102.044","0.001","90","","4859.87","0.08","111","8","111","8","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 Cl20 Fe K2 N14 O12 -","- C82 H80 Cl20 Fe K2 N14 O12 -","- C164 H160 Cl40 Fe2 K4 N28 O24 -","2","0.5","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)","Dalton Transactions","2022","","","","","10.1039/D2DT01052F","","x-ray","0.71073","MoKα","","0.0418","0.0314","","","0.0734","0.0784","","","","","","1.026","","","","has coordinates,has disorder","276058","2022-06-15","23:01:50",""
"7710493","12.7789","0.0006","13.5071","0.0008","13.6608","0.0008","111.912","0.006","111.362","0.005","94.97","0.004","1968.5","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C74.3 H90.9 Cl1.4 Fe K2 N14 O12 -","- C70 H88 Fe K2 N14 O12 -","- C70 H88 Fe K2 N14 O12 -","1","0.5","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)","Dalton Transactions","2022","","","","","10.1039/D2DT01052F","","x-ray","0.71073","MoKα","","0.2852","0.1261","","","0.3343","0.4374","","","","","","1.065","","","","has coordinates","276058","2022-06-15","23:01:53",""
"7710494","13.9492","0.0003","14.2598","0.0002","17.5018","0.0003","73.112","0.002","78.193","0.002","67.321","0.002","3056.67","0.11","106","2","106","2","","","","","","","","8","P -1","-P 1","2","","","","- C124 H134 Cl8 Gd2 K2 Mn N14 O12 -","- C124 H134 Cl8 Gd2 K2 Mn N14 O12 -","- C124 H134 Cl8 Gd2 K2 Mn N14 O12 -","1","0.5","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)","Dalton Transactions","2022","","","","","10.1039/D2DT01052F","","x-ray","0.71073","MoKα","","0.027","0.0259","","","0.0641","0.0647","","","","","","1.043","","","","has coordinates,has disorder","276058","2022-06-15","23:01:53",""
"7710495","16.2343","0.0003","19.476","0.0005","20.9495","0.0006","108.677","0.003","95.219","0.002","110.988","0.002","5698.1","0.3","101","3","101","3","","","","","","","","8","P -1","-P 1","2","","","","- C106 H106 Cl18 Fe K2 N14 Nd2 O12 -","- C106 H106 Cl18 Fe K2 N14 Nd2 O12 -","- C212 H212 Cl36 Fe2 K4 N28 Nd4 O24 -","2","1","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)","Dalton Transactions","2022","","","","","10.1039/D2DT01052F","","x-ray","0.71073","MoKα","","0.1131","0.0775","","","0.1165","0.1275","","","","","","1.163","","","","has coordinates,has disorder","276058","2022-06-15","23:01:53",""
"7710496","16.7101","0.0005","18.1789","0.0004","22.344","0.0007","90","","107.465","0.003","90","","6474.6","0.3","109","3","109","3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H136 Cl10 K2 Mn3 N14 O20 -","- C120 H136 Cl10 K2 Mn3 N14 O20 -","- C240 H272 Cl20 K4 Mn6 N28 O40 -","2","0.5","","Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)","Dalton Transactions","2022","","","","","10.1039/D2DT01052F","","x-ray","0.71073","MoKα","","0.084","0.0594","","","0.1319","0.1461","","","","","","1.043","","","","has coordinates,has disorder","276058","2022-06-15","23:01:54",""
"7710497","14.4049","0.0009","12.2948","0.0007","15.1192","0.001","90","","94.946","0.002","90","","2667.7","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly{[bis(mu3-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O':kO')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O')manganese(II)sodium(methanol)] hydrate methanol}","","- C23 H28 Mn N3 Na O12 -","- C23 H28 Mn N3 Na O12 -","- C92 H112 Mn4 N12 Na4 O48 -","4","1","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier","Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT00838F","","","0.71073","MoKα","","0.0986","0.0559","","","0.0821","0.095","","","","","","1.084","","","","has coordinates","276060","2022-06-15","23:03:56",""
"7710498","20.4921","0.0014","9.4963","0.0008","37.786","0.002","90","","92.627","0.002","90","","7345.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[tris(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':kO'')(methanol)dicopper(II)][bis(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O')bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':kO'')dicopper(II)]bis[bis(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O')(methanol)copper(II)]hexadecahydrate}","","- C116 H176 Cu8 N16 O84 -","- C116 H176 Cu8 N16 O84 -","- C232 H352 Cu16 N32 O168 -","2","0.5","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier","Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT00838F","","","0.71073","MoKα","","0.1056","0.0625","","","0.1628","0.1815","","","","","","1.047","","","","has coordinates","276060","2022-06-15","23:03:57",""
"7710499","5.1194","0.0004","21.9576","0.0016","8.6216","0.0006","90","","98.595","0.003","90","","958.27","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena[bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':kO'')copper(II)] hexahydrate}","","- C14 H24 Cu N2 O12 -","- C14 H24 Cu N2 O12 -","- C28 H48 Cu2 N4 O24 -","2","0.5","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier","Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT00838F","","","0.71073","MoKα","","0.0613","0.0453","","","0.1017","0.1085","","","","","","1.169","","","","has coordinates","276060","2022-06-15","23:03:57",""
"7710500","13.513","0.0007","18.433","0.0007","15.8418","0.0007","90","","91.342","0.004","90","","3944.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Poly{[hexaaqua(mu-aqua)bis(mu3-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O':kO')bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':k2O',O'')dicobalt(II)dipotassium] nitrate}","","- C28 H38 Co2 N6 Na2 O25 -","- C28 H38 Co2 N6 Na2 O25 -","- C112 H152 Co8 N24 Na8 O100 -","4","0.5","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier","Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT00838F","","","0.71073","MoKα","","0.0551","0.0498","","","0.1245","0.1288","","","","","","1.121","","","","has coordinates,has disorder","276060","2022-06-15","23:03:57",""
"7710501","8.1892","0.0013","20.317","0.003","17.675","0.003","90","","98.647","0.005","90","","2907.3","0.8","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H67 N6 O16 Zn2 -","- C38 H45 N4 O12 Zn2 -","- C76 H90 N8 O24 Zn4 -","2","1","","Zhu, Chengfeng; Wang, Hongzhao; Mu, Yongfei; Zhang, Ziwei; Cheng, Lanjun; Li, Tianfu; Fu, Yanming; Wu, Xiang; Li, Yougui","Construction of a chiral zinc–camphorate framework for enantioselective separation","Dalton Transactions","2022","","","","","10.1039/D2DT01221A","","","0.67042","synchrotron","","0.1134","0.0879","","","0.248","0.2705","","","","","","1.066","","","","has coordinates","276061","2022-06-15","23:04:54",""
"7710502","10.3926","0.0007","11.6371","0.0007","11.9617","0.0006","90","","91.69","0.004","90","","1446.02","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O4 Se -","- C16 H14 O4 Se -","- C64 H56 O16 Se4 -","4","1","","Malankar, Gauri S.; Shelar, Divyesh S.; Butcher, R. J.; Manjare, Sudesh T.","Synthesis and Single Crystal X-ray Study of Phenylselenyl Embedded Coumarin-Based Sensors for Selective Detection of Superoxide","Dalton Transactions","2022","","","","","10.1039/D2DT01079H","","","0.71073","MoKα","","0.0879","0.0514","","","0.1099","0.1233","","","","","","1.032","","","","has coordinates","276071","2022-06-16","22:52:42",""
"7710503","7.6073","0.0005","9.4274","0.0009","12.157","0.0011","106.478","0.003","104.683","0.002","103.015","0.002","766.15","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O4.08 Se -","- C18 H14 O4.081 Se -","- C36 H28 O8.162 Se2 -","2","1","","Malankar, Gauri S.; Shelar, Divyesh S.; Butcher, R. J.; Manjare, Sudesh T.","Synthesis and Single Crystal X-ray Study of Phenylselenyl Embedded Coumarin-Based Sensors for Selective Detection of Superoxide","Dalton Transactions","2022","","","","","10.1039/D2DT01079H","","","0.71073","MoKα","","0.0382","0.0295","","","0.0639","0.0669","","","","","","1.027","","","","has coordinates,has disorder","276071","2022-06-16","22:52:43",""
"7710504","6.44484","0.00008","8.57651","0.00016","12.8743","0.0002","96.2904","0.0015","100.246","0.0013","94.1463","0.0012","692.982","0.019","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl F4 N2 -","- C15 H9 Cl F4 N2 -","- C30 H18 Cl2 F8 N4 -","2","1","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","1.54184","CuKα","","0.0521","0.0487","","","0.1389","0.1427","","","","","","1.094","","","","has coordinates","276072","2022-06-16","22:53:47",""
"7710505","9.445","0.0002","13.5214","0.0003","31.7529","0.0007","90","","93.913","0.002","90","","4045.7","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl2 F2 N3 Pd -","- C20 H15 Cl2 F2 N3 Pd -","- C160 H120 Cl16 F16 N24 Pd8 -","8","2","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0383","0.0291","","","0.0687","0.072","","","","","","1.058","","","","has coordinates","276072","2022-06-16","22:53:48",""
"7710506","22.7586","0.0003","7.1517","0.0001","26.0618","0.0004","90","","90","","90","","4241.89","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20.5 H14 Cl3 F4 N3 Pd -","- C20.5 H14 Cl3 F4 N3 Pd -","- C164 H112 Cl24 F32 N24 Pd8 -","8","1","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0279","0.0234","","","0.0558","0.0572","","","","","","1.039","","","","has coordinates","276072","2022-06-16","22:53:48",""
"7710507","6.9092","0.0003","14.7924","0.0006","9.9257","0.0006","90","","96.106","0.005","90","","1008.69","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H17 Cl2 F2 N3 Pd -","- C20 H17 Cl2 F2 N3 Pd -","- C40 H34 Cl4 F4 N6 Pd2 -","2","0.25","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0295","0.0284","","","0.0731","0.0736","","","","","","1.101","","","","has coordinates,has disorder","276072","2022-06-16","22:53:48",""
"7710508","11.2541","0.0002","14.2448","0.0002","24.6718","0.0003","90","","90","","90","","3955.2","0.1","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Cl2 F2 N3 Pd -","- C20 H15 Cl2 F2 N3 Pd -","- C160 H120 Cl16 F16 N24 Pd8 -","8","1","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0306","0.0245","","","0.0618","0.0642","","","","","","1.023","","","","has coordinates","276072","2022-06-16","22:53:49",""
"7710509","9.4215","0.0005","14.7924","0.0009","18.9999","0.0011","85.79","0.003","81.068","0.002","78.673","0.002","2562.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Cl Ge Si2 -","- C23 H39 Cl Ge Si2 -","- C92 H156 Cl4 Ge4 Si8 -","4","2","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.041","0.03","","","0.074","0.0789","","","","","","1.025","","","","has coordinates,has disorder","276073","2022-06-16","22:56:37",""
"7710510","9.724","0.0008","10.0242","0.0008","17.8098","0.0014","78.533","0.004","86.905","0.004","71.399","0.004","1612.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H44 F3 Ge O4 P S Si2 -","- C25 H44 F3 Ge O4 P S Si2 -","- C50 H88 F6 Ge2 O8 P2 S2 Si4 -","2","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","1.54178","CuKα","","0.055","0.0474","","","0.1205","0.1262","","","","","","1.046","","","","has coordinates","276073","2022-06-16","22:56:37",""
"7710511","16.1665","0.0012","6.7319","0.0005","19.8527","0.0014","90","","99.931","0.003","90","","2128.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Cl Ge Si2 -","- C18 H29 Cl Ge Si2 -","- C72 H116 Cl4 Ge4 Si8 -","4","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0769","0.0678","","","0.1669","0.1709","","","","","","1.236","","","","has coordinates","276073","2022-06-16","22:56:37",""
"7710512","9.6804","0.0007","10.4638","0.0007","14.8954","0.0011","82.721","0.002","80.211","0.003","75.579","0.002","1434.36","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H39 F3 Ge O3 S Si2 -","- C24 H39 F3 Ge O3 S Si2 -","- C48 H78 F6 Ge2 O6 S2 Si4 -","2","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0424","0.0318","","","0.0703","0.0743","","","","","","1.032","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710513","12.5742","0.0004","18.7345","0.0006","30.6586","0.001","90","","93.066","0.002","90","","7211.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 F3 Ge N2 O3 S Si2 -","- C31 H51 F3 Ge N2 O3 S Si2 -","- C248 H408 F24 Ge8 N16 O24 S8 Si16 -","8","2","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","1.54178","CuKα","","0.0581","0.0411","","","0.0982","0.1064","","","","","","1.046","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710514","10.9773","0.0003","18.0879","0.0005","16.4184","0.0005","90","","101.782","0.0011","90","","3191.29","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 F3 O3 S Si3 -","- C29 H33 F3 O3 S Si3 -","- C116 H132 F12 O12 S4 Si12 -","4","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0601","0.0552","","","0.1551","0.1596","","","","","","1.073","","","","has coordinates,has disorder","276073","2022-06-16","22:56:38",""
"7710515","21.5478","0.0008","6.5819","0.0002","22.2436","0.0008","90","","118.182","0.0013","90","","2780.74","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl Si3 -","- C28 H33 Cl Si3 -","- C112 H132 Cl4 Si12 -","4","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0467","0.0335","","","0.085","0.0927","","","","","","1.025","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710516","11.0788","0.0005","20.44","0.001","20.8154","0.0009","113.086","0.002","90.17","0.002","92.016","0.003","4332.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H48 D6 F3 O4 P S Si3 -","- C41 H48 D6 F3 O4 P S Si3 -","- C164 H192 D24 F12 O16 P4 S4 Si12 -","4","2","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","1.54178","CuKα","","0.0932","0.0777","","","0.1881","0.1972","","","","","","1.071","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710517","9.3768","0.0003","17.0364","0.0006","15.153","0.0005","90","","90.8384","0.0014","90","","2420.39","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 F3 Ge O3 S Si2 -","- C19 H29 F3 Ge O3 S Si2 -","- C76 H116 F12 Ge4 O12 S4 Si8 -","4","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0279","0.0224","","","0.0591","0.0615","","","","","","1.023","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710518","12.0292","0.0007","16.3527","0.0008","18.6787","0.001","90","","94.763","0.002","90","","3661.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 F3 Ge O4 P S Si2 -","- C30 H54 F3 Ge O4 P S Si2 -","- C120 H216 F12 Ge4 O16 P4 S4 Si8 -","4","1","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0474","0.0394","","","0.0846","0.088","","","","","","1.079","","","","has coordinates,has disorder","276073","2022-06-16","22:56:38",""
"7710519","9.5398","0.0005","15.269","0.0008","22.8374","0.0012","85.5562","0.0019","89.91","0.002","75.0746","0.0018","3204.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H41 F3 Ge N2 O3 S Si2 -","- C26 H41 F3 Ge N2 O3 S Si2 -","- C104 H164 F12 Ge4 N8 O12 S4 Si8 -","4","2","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0373","0.0292","","","0.0749","0.0789","","","","","","1.005","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710520","23.7374","0.0019","10.6333","0.0008","32.035","0.003","90","","111.229","0.003","90","","7537.2","1.1","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 F3 N2 O3 S Si3 -","- C36 H45 F3 N2 O3 S Si3 -","- C288 H360 F24 N16 O24 S8 Si24 -","8","2","","Wohltmann, Wiebke Marie; Schmidtmann, Marc; Müller, Thomas","Covalent triflates as synthons for silolyl- and germolyl cations","Dalton Transactions","2022","","","","","10.1039/D2DT01446G","","","0.71073","MoKα","","0.0653","0.0422","","","0.1087","0.1239","","","","","","1.008","","","","has coordinates","276073","2022-06-16","22:56:38",""
"7710521","9.5776","0.0001","26.8909","0.0003","22.0304","0.0002","90","","97.485","0.001","90","","5625.59","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H52 N4 O P Ru -","- C77 H52 N4 O P Ru -","- C308 H208 N16 O4 P4 Ru4 -","4","1","","Fontana, Liniquer A.; Rigolin, Vitor H.; Ribeiro, Marcos A.; Barros, Wdeson P.; Megiatto, Jackson D.","A synthetic tactic to substitute axial ligands in sterically demanding Ru(ii)porphyrinates","Dalton Transactions","2022","","","","","10.1039/D2DT01095J","","","0.82665","synchrotron","","0.1062","0.0994","","","0.2147","0.2179","","","","","","1.204","","","","has coordinates","288268","2023-12-12","21:47:58",""
"7710522","9.0556","0.0001","14.0928","0.0001","20.6151","0.0001","104.42","0.001","90.006","0.001","100.46","0.001","2502.81","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 N4 O3 Ru S3 -","- C64 H52 N4 O3 Ru S3 -","- C128 H104 N8 O6 Ru2 S6 -","2","1","","Fontana, Liniquer A.; Rigolin, Vitor H.; Ribeiro, Marcos A.; Barros, Wdeson P.; Megiatto, Jackson D.","A synthetic tactic to substitute axial ligands in sterically demanding Ru(ii)porphyrinates","Dalton Transactions","2022","","","","","10.1039/D2DT01095J","","","0.82602","synchrotron","","0.0361","0.0331","","","0.0911","0.0936","","","","","","1.063","","","","has coordinates,has disorder","276074","2022-06-16","22:58:15",""
"7710523","13.7123","0.0007","34.3657","0.0015","19.9008","0.001","90","","92.736","0.002","90","","9367.2","0.8","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C20 H121 Cu5 Eu N20 Nb18 O84 Te6 -","- C20 H80 Cu5 Eu N20 Nb18 O84 Te6 -","- C40 H160 Cu10 Eu2 N40 Nb36 O168 Te12 -","2","0.5","","Lai, Rongda; Feng, Hui-Lin; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","A Lanthanide-tellurium heterometal encapsulated sandwich-type heteropolyoxoniobate with a 3D pcu-type hydrogen-bonding network","Dalton Transactions","2022","","","","","10.1039/D2DT01472F","","","0.71073","MoKα","","0.061","0.0541","","","0.1372","0.1415","","","","","","1.064","","","","has coordinates","276139","2022-06-21","22:52:39",""
"7710524","14.7543","0.0004","17.2189","0.0004","22.8872","0.0006","86.179","0.002","72.372","0.002","73.179","0.002","5303","0.2","293","2","293","","","","","","","","","8","P -1","-P 1","2","","","","- C99 H85 Cl3 Eu2 F24 N2 O18 S4 -","- C99 H85 Cl3 Eu2 F24 N2 O18 S4 -","- C198 H170 Cl6 Eu4 F48 N4 O36 S8 -","2","1","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.0594","0.0421","","","0.0965","0.1059","","","","","","1.024","","","","has coordinates,has disorder","277108","2022-08-06","11:47:53",""
"7710525","25.4179","0.0009","25.4179","0.0009","7.2227","0.0003","90","","90","","120","","4041.2","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C17 H22 Br N3 -","- C17 H22 Br N3 -","- C153 H198 Br9 N27 -","9","1","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.0615","0.0418","","","0.0815","0.0904","","","","","","1.021","","","","has coordinates","277108","2022-08-06","11:47:54",""
"7710526","25.435","0.002","25.435","0.002","7.2225","0.0004","90","","90","","120","","4046.5","0.5","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C17 H22 Br N3 -","- C17 H22 Br N3 -","- C153 H198 Br9 N27 -","9","1","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.0459","0.034","","","0.0685","0.0737","","","","","","1.031","","","","has coordinates","277108","2022-08-06","11:47:54",""
"7710527","26.7818","0.001","14.7271","0.0005","39.6947","0.0012","90","","104.187","0.004","90","","15178.8","0.9","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H146 Eu2 F24 N6 O32 S4 -","- C146 H146 Eu2 F24 N6 O32 S4 -","- C584 H584 Eu8 F96 N24 O128 S16 -","4","0.5","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.1685","0.0824","","","0.1652","0.2065","","","","","","0.988","","","","has coordinates,has disorder","277108","2022-08-06","11:47:54",""
"7710528","12.0491","0.0009","12.3467","0.0009","12.4561","0.0009","61.172","0.003","62.951","0.002","81.418","0.003","1440","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23.77 B2 Br1.23 F4 N5 Te2 -","- C26 H23.768 B2 Br1.232 F4 N5 Te2 -","- C52 H47.536 B4 Br2.464 F8 N10 Te4 -","2","1","","Malankar, Gauri S.; Shelar, Divyesh S.; M., Manikandan; Patra, Malay; Butcher, Ray J.; Manjare, Sudesh T.","A BOPHY based fluorescent probe for Hg2+via NTe2 chelation","Dalton Transactions","2022","","","","","10.1039/D2DT01086K","","","0.71073","MoKα","","0.0772","0.0523","","","0.1174","0.1287","","","","","","1.044","","","","has coordinates,has disorder","276141","2022-06-21","22:54:28",""
"7710529","12.2456","0.0002","16.9887","0.0003","13.3272","0.0002","90","","100.383","0.0008","90","","2727.15","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 O P -","- C30 H39 O P -","- C120 H156 O4 P4 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","","0.71073","MoKα","","0.0581","0.0461","","","0.1221","0.1318","","","","","","1.057","","","","has coordinates","276205","2022-06-23","23:04:01",""
"7710530","12.9253","0.0012","21.2504","0.0019","24.984","0.002","109.535","0.007","97.03","0.007","90.092","0.007","6412","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H68 Cl6 Ga2 P4 -","- C54 H68 Cl6 Ga2 P4 -","- C216 H272 Cl24 Ga8 P16 -","4","2","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.1467","0.0691","","","0.1642","0.1839","","","","","","0.873","","","","has coordinates","276205","2022-06-23","23:04:01",""
"7710531","8.2634","0.0004","13.3291","0.0007","28.2426","0.0013","90","","91.478","0.004","90","","3109.7","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl4 Ga P2 -","- C27 H35 Cl4 Ga P2 -","- C108 H140 Cl16 Ga4 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0596","0.0483","","","0.1351","0.1378","","","","","","1.164","","","","has coordinates","276205","2022-06-23","23:04:01",""
"7710532","11.0543","0.0014","25.215","0.002","16.013","0.003","90","","96.35","0.012","90","","4436","1.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Cl7 Ga P2 -","- C35 H50 Cl7 Ga P2 -","- C140 H200 Cl28 Ga4 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.041","0.0339","","","0.1017","0.1043","","","","","","1.15","","","","has coordinates,has disorder","276205","2022-06-23","23:04:02",""
"7710533","10.1182","0.0009","10.1216","0.0009","19.4301","0.0018","88.8323","0.0025","82.0559","0.0025","63.1869","0.0022","1756.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 B F15 O P -","- C36 H31 B F15 O P -","- C72 H62 B2 F30 O2 P2 -","2","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","","0.71073","MoKα","","0.0588","0.0408","","","0.0971","0.1083","","","","","","1.018","","","","has coordinates","276205","2022-06-23","23:04:02",""
"7710534","8.9087","0.0006","29.337","0.002","10.4157","0.0008","90","","92.781","0.006","90","","2719","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl2.13 Ga I0.87 P2 -","- C21 H38 Cl2.136 Ga I0.864 P2 -","- C84 H152 Cl8.544 Ga4 I3.456 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.06","0.0472","","","0.1211","0.1245","","","","","","1.103","","","","has coordinates,has disorder","276205","2022-06-23","23:04:02",""
"7710535","11.2606","0.0007","10.4141","0.0008","30.07","0.002","90","","99.501","0.005","90","","3477.9","0.4","150.01","","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 O P2 -","- C36 H60 O P2 -","- C144 H240 O4 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","","1.54178","CuKα","","0.1141","0.0848","","","0.2077","0.2235","","","","","","1.036","","","","has coordinates","276205","2022-06-23","23:04:02",""
"7710536","10.8322","0.0012","11.4626","0.0012","13.001","0.0014","107.115","0.008","104.929","0.008","99.87","0.009","1436.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Ga I3 O P -","- C24 H27 Ga I3 O P -","- C48 H54 Ga2 I6 O2 P2 -","2","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.055","0.045","","","0.1294","0.1334","","","","","","1.11","","","","has coordinates,has disorder","276205","2022-06-23","23:04:02",""
"7710537","10.074","0.003","13.57","0.003","23.577","0.007","90","","96.77","0.02","90","","3200.6","1.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Ga I4 P2 -","- C21 H39 Ga I4 P2 -","- C84 H156 Ga4 I16 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0704","0.0307","","","0.0546","0.06","","","","","","0.748","","","","has coordinates","276205","2022-06-23","23:04:02",""
"7710538","14.875","0.0008","7.1776","0.0005","11.9265","0.0006","90","","90","","90","","1273.35","0.13","150","","150","","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C18 H31 Ga I3 O P -","- C18 H31 Ga I3 O P -","- C36 H62 Ga2 I6 O2 P2 -","2","0.5","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0177","0.0175","","","0.0445","0.0446","","","","","","1.13","","","","has coordinates,has disorder","276205","2022-06-23","23:04:02",""
"7710539","10.6965","0.0003","10.692","0.0002","24.8307","0.0008","90","","101.014","0.003","90","","2787.5","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Cl4 Ga P2 -","- C21 H39 Cl4 Ga P2 -","- C84 H156 Cl16 Ga4 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0386","0.028","","","0.0737","0.0759","","","","","","0.987","","","","has coordinates","276205","2022-06-23","23:04:03",""
"7710540","9.1316","0.0009","29.821","0.002","10.5682","0.001","90","","91.854","0.008","90","","2876.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Ga I3 P2 -","- C21 H38 Ga I3 P2 -","- C84 H152 Ga4 I12 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0755","0.055","","","0.1676","0.177","","","","","","1.054","","","","has coordinates","276205","2022-06-23","23:04:03",""
"7710541","9.7565","0.0003","11.7069","0.0004","17.4299","0.0006","92.053","0.002","104.767","0.002","104.411","0.002","1853.99","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 Cl4 Ga P2 -","- C33 H47 Cl4 Ga P2 -","- C66 H94 Cl8 Ga2 P4 -","2","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","","1.54178","CuKα","","0.048","0.0406","","","0.1045","0.1108","","","","","","1.023","","","","has coordinates,has disorder","276205","2022-06-23","23:04:03",""
"7710542","10.1303","0.0006","12.8964","0.0008","14.0935","0.0009","81.618","0.002","81.678","0.002","71.362","0.002","1716.55","0.18","150.01","","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H78 Ga4 I10 O2 P4 -","- C42 H78 Ga4 I10 O2 P4 -","- C42 H78 Ga4 I10 O2 P4 -","1","0.5","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","","0.71073","MoKα","","0.0482","0.0355","","","0.0897","0.0971","","","","","","1.027","","","","has coordinates","276205","2022-06-23","23:04:03",""
"7710543","19.5931","0.001","19.2681","0.0009","13.408","0.0007","90","","90","","90","","5061.8","0.4","150","","150","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H27 Cl3 Ga O P -","- C24 H27 Cl3 Ga O P -","- C192 H216 Cl24 Ga8 O8 P8 -","8","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0293","0.025","","","0.059","0.0597","","","","","","0.997","","","","has coordinates","276205","2022-06-23","23:04:03",""
"7710544","8.8319","0.0009","29.26","0.002","10.338","0.0011","90","","94.085","0.008","90","","2664.8","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl3 Ga P2 -","- C21 H38 Cl3 Ga P2 -","- C84 H152 Cl12 Ga4 P8 -","4","1","","Dankert, Fabian; Fischer, Malte; Hering-Junghans, Christian","Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT01575G","","x-ray","0.71073","MoKα","","0.0623","0.0372","","","0.0847","0.0889","","","","","","0.924","","","","has coordinates,has disorder","276205","2022-06-23","23:04:03",""
"7710545","13.0266","0.001","9.0938","0.0005","17.1609","0.0007","90","","96.959","0.004","90","","2017.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl Ir N2 Si -","- C19 H28 Cl Ir N2 Si -","- C76 H112 Cl4 Ir4 N8 Si4 -","4","1","","Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi","Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes","Dalton Transactions","2022","","","","","10.1039/D2DT01227H","","","0.71073","MoKα","","0.0393","0.036","","","0.0948","0.0977","","","","","","1.153","","","","has coordinates","276206","2022-06-23","23:06:18",""
"7710546","15.0274","0.0015","14.7588","0.0013","9.128","0.0011","90","","95.52","0.004","90","","2015.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl N2 Rh Si -","- C19 H28 Cl N2 Rh Si -","- C76 H112 Cl4 N8 Rh4 Si4 -","4","1","","Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi","Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes","Dalton Transactions","2022","","","","","10.1039/D2DT01227H","","","0.71073","MoKα","","0.0376","0.032","","","0.0625","0.0641","","","","","","1.172","","","","has coordinates","276206","2022-06-23","23:06:18",""
"7710547","15.8176","0.0008","9.3483","0.0004","18.1721","0.0009","90","","110.406","0.002","90","","2518.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C22 H37 Cl Ir N2 P Si -","- C22 H37 Cl Ir N2 P Si -","- C88 H148 Cl4 Ir4 N8 P4 Si4 -","4","1","","Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi","Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes","Dalton Transactions","2022","","","","","10.1039/D2DT01227H","","","0.71073","MoKα","","0.0314","0.0298","","","0.0747","0.0759","","","","","","1.112","","","","has coordinates","276206","2022-06-23","23:06:19",""
"7710548","19.2881","0.0015","17.6461","0.0013","38.074","0.003","90","","93.252","0.003","90","","12938","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H66 B Co F24 P2 -","- C64 H66 B Co F24 P2 -","- C512 H528 B8 Co8 F192 P16 -","8","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0573","0.0492","","","0.1159","0.12","","","","","","1.016","","","","has coordinates,has disorder","276207","2022-06-23","23:09:10",""
"7710549","8.7386","0.0006","22.8891","0.0016","15.5231","0.0011","90","","101.295","0.002","90","","3044.8","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0683","0.0432","","","0.1027","0.1108","","","","","","1.028","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710550","11.3756","0.0017","39.096","0.006","11.5017","0.0018","90","","96.094","0.004","90","","5086.4","1.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C105 H126 Cl2 Co2 O4.5 P6 -","- C105 H126 Cl2 Co2 O4.5 P6 -","- C210 H252 Cl4 Co4 O9 P12 -","2","1","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0765","0.0727","","","0.1856","0.1878","","","","","","1.108","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710551","9.5542","0.0002","9.5542","0.0002","46.3014","0.0012","90","","90","","90","","4226.52","0.17","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C36 H56 Br2 Co2 N4 P4 -","- C36 H56 Br2 Co2 N4 P4 -","- C144 H224 Br8 Co8 N16 P16 -","4","0.5","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0267","0.0236","","","0.0557","0.0563","","","","","","1.073","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710552","21.4598","0.0009","21.5413","0.0009","23.7245","0.001","66.439","0.001","66.401","0.001","71.722","0.001","9056.8","0.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl2 Co2 P6 -","- C81 H78 Cl2 Co2 P6 -","- C324 H312 Cl8 Co8 P24 -","4","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0644","0.0422","","","0.1056","0.1171","","","","","","1.025","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710553","13.7516","0.0007","14.4882","0.0007","17.3962","0.0009","106.052","0.002","102.166","0.002","111.963","0.001","2890.8","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","","","- C56 H40 B Co D6 F24 N2 P2 -","- C56 H40 B Co D6 F24 N2 P2 -","- C112 H80 B2 Co2 D12 F48 N4 P4 -","2","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0419","0.0333","","","0.0722","0.0763","","","","","","1.016","","","","has coordinates,has disorder","276207","2022-06-23","23:09:12",""
"7710554","21.2718","0.0009","21.2718","0.0009","52.873","0.002","90","","90","","90","","23924.5","1.7","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C68 H72 Br2 Co2 P4 -","- C68 H72 Br2 Co2 P4 -","- C1088 H1152 Br32 Co32 P64 -","16","2","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","x-ray","0.71073","MoKα","","0.0982","0.0693","","","0.15","0.1638","","","","","","1.078","","","","has coordinates","276207","2022-06-23","23:09:12",""
"7710555","14.7933","0.0014","13.2529","0.0011","19.568","0.0019","90","","102.074","0.003","90","","3751.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H88 Cl2 Co2 O2 P6 -","- C86 H88 Cl2 Co2 O2 P6 -","- C172 H176 Cl4 Co4 O4 P12 -","2","0.5","","Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.","Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts","Dalton Transactions","2022","","","","","10.1039/D2DT01484J","","","0.71073","MoKα","","0.0973","0.0508","","","0.1148","0.1349","","","","","","1.0351","","","","has coordinates,has disorder","276207","2022-06-23","23:09:12",""
"7710556","8.4086","0.0003","12.9531","0.0016","12.4267","0.0014","90","","96.874","0.006","90","","1343.8","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl8 N2 O Pd -","- C18 H24 Cl8 N2 O Pd -","- C36 H48 Cl16 N4 O2 Pd2 -","2","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.062","0.0418","","","0.0861","0.0975","","","","","","1.166","","","","has coordinates,has disorder","276208","2022-06-23","23:10:42",""
"7710557","8.4071","0.0005","12.9549","0.0009","12.4241","0.001","90","","96.861","0.005","90","","1343.46","0.16","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl8 N2 O Pd -","- C18 H24 Cl8 N2 O Pd -","- C36 H48 Cl16 N4 O2 Pd2 -","2","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0619","0.0397","","","0.0778","0.0897","","","","","","1.132","","","","has coordinates,has disorder","276208","2022-06-23","23:10:42",""
"7710558","10.5967","0.0011","12.2575","0.0013","28.2589","0.0019","90","","90","","90","","3670.5","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 O Pd -","- C17 H24 Cl2 N2 O Pd -","- C136 H192 Cl16 N16 O8 Pd8 -","8","2","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0868","0.0528","","","0.0947","0.1088","","","","","","1.087","","","","has coordinates","276208","2022-06-23","23:10:42",""
"7710559","13.0496","0.0012","15.8129","0.0014","22.4136","0.0014","90","","90","","90","","4625.1","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 Cl N6 O3 Pd -","- C48 H65 Cl N6 O3 Pd -","- C192 H260 Cl4 N24 O12 Pd4 -","4","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0552","0.0373","","","0.0641","0.0707","","","","","","1.101","","","","has coordinates","276208","2022-06-23","23:10:42",""
"7710560","9.1472","0.0002","9.8243","0.0002","13.1662","0.0003","90.566","0.001","94.061","0.001","109.352","0.001","1112.83","0.04","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Bi I3 N2 O2 -","- C16 H23 Bi I3 N2 O2 -","- C32 H46 Bi2 I6 N4 O4 -","2","1","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0287","0.0269","","","0.0676","0.0686","","","","","","1.066","","","","has coordinates","276209","2022-06-23","23:12:53",""
"7710561","10.4719","0.0004","19.9683","0.0008","15.1511","0.0005","90","","106.109","0.001","90","","3043.8","0.2","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Bi N2 O2 S2 -","- C32 H41 Bi N2 O2 S2 -","- C128 H164 Bi4 N8 O8 S8 -","4","1","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0238","0.0181","","","0.0326","0.0339","","","","","","1.08","","","","has coordinates","276209","2022-06-23","23:12:54",""
"7710562","6.5162","0.0002","11.3605","0.0005","18.7822","0.0006","90","","98.743","0.001","90","","1374.24","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DG252a","","","- C24 H38 N4 S0.18 Sb2 Se1.82 -","- C24 H38 N4 S0.18 Sb2 Se1.82 -","- C48 H76 N8 S0.36 Sb4 Se3.64 -","2","0.5","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0713","0.0713","","","","","","1.333","","","","has coordinates,has disorder","276209","2022-06-23","23:12:54",""
"7710563","12.492","0.0004","17.3273","0.0005","10.6153","0.0003","90","","103.466","0.001","90","","2234.54","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DG178","","","- C17 H24 Bi Cl5 N2 O2 -","- C17 H24 Bi Cl5 N2 O2 -","- C68 H96 Bi4 Cl20 N8 O8 -","4","1","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0179","0.0161","","","0.0332","0.0337","","","","","","1.092","","","","has coordinates","276209","2022-06-23","23:12:54",""
"7710564","6.5175","0.0002","17.3278","0.0004","12.0941","0.0003","90","","100.314","0.001","90","","1343.76","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DG116","","","- C24 H38 N4 O2 Sb2 -","- C24 H38 N4 O2 Sb2 -","- C48 H76 N8 O4 Sb4 -","2","0.5","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0137","0.0123","","","0.0262","0.0268","","","","","","1.068","","","","has coordinates","276209","2022-06-23","23:12:54",""
"7710565","8.7258","0.0002","12.5825","0.0003","16.0673","0.0004","83.651","0.001","85.344","0.001","88.74","0.001","1747.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H49 N2 O3 S2 Sb -","- C36 H49 N2 O3 S2 Sb -","- C72 H98 N4 O6 S4 Sb2 -","2","1","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0201","0.0172","","","0.0368","0.0379","","","","","","1.077","","","","has coordinates,has disorder","276209","2022-06-23","23:12:54",""
"7710566","12.197","0.0004","14.4548","0.0005","16.212","0.0005","90.62","0.001","98.823","0.001","102.031","0.001","2759.69","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DG116","","","- C28 H37 N2 S2 Sb -","- C28 H37 N2 S2 Sb -","- C112 H148 N8 S8 Sb4 -","4","2","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0191","0.0162","","","0.0332","0.0345","","","","","","1.057","","","","has coordinates","276209","2022-06-23","23:12:54",""
"7710567","6.4357","0.0004","9.7886","0.0006","11.9131","0.0007","67.762","0.002","89.344","0.002","78.893","0.002","680.09","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DG117","","","- C24 H38 Bi2 N4 O2 -","- C24 H38 Bi2 N4 O2 -","- C24 H38 Bi2 N4 O2 -","1","0.5","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0094","0.009","","","0.0201","0.0203","","","","","","1.086","","","","has coordinates","276209","2022-06-23","23:12:54",""
"7710568","10.9293","0.0004","13.7803","0.0006","13.8198","0.0005","100.736","0.001","91.079","0.001","106.034","0.001","1959.95","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DG173","","","- C16 H23 Bi I2 N2 O2 -","- C16 H23 Bi I2 N2 O2 -","- C64 H92 Bi4 I8 N8 O8 -","4","2","","Duneș, Gabriel; Soran, Albert; Silvestru, Cristian","Organopnictogen(III) bis(arylthiolates) containing NCN-aryl pincer ligands: from synthesis and characterization to reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01436J","","x-ray","0.71073","MoKα","","0.0193","0.0192","","","0.0474","0.0475","","","","","","1.119","","","","has coordinates","276209","2022-06-23","23:12:55",""
"7710569","12.9059","0.0019","12.9355","0.0018","15.837","0.002","90","","98.736","0.002","90","","2613.2","0.6","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","Os(2,5-xylyl)4","tetrakis(2,5-dimethylphenyl)osmium(IV)","","- C32 H36 Os -","- C32 H36 Os -","- C128 H144 Os4 -","4","1","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","0.71073","MoKα","","0.0268","0.0221","","","0.0406","0.0416","","","","","","0.952","","","","has coordinates","276210","2022-06-23","23:14:31",""
"7710570","15.7666","0.0003","15.7666","0.0003","10.3145","0.0002","90","","90","","90","","2564.04","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","I 41/a :2","-I 4ad","88","Os1-Et","tetrakis(2-ethylphenyl)osmium(IV)","","- C32 H36 Os -","- C32 H36 Os -","- C128 H144 Os4 -","4","0.25","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","x-ray","0.71073","MoKα","","0.0228","0.0185","","","0.0384","0.0396","","","","","","1.082","","","","has coordinates","276210","2022-06-23","23:14:32",""
"7710571","12.64","0.0004","15.1376","0.0005","8.2955","0.0003","90","","98.272","0.001","90","","1570.74","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","OsO2(mes)2","Dimesityldioxoosmium(VI)","","- C18 H22 O2 Os -","- C18 H22 O2 Os -","- C72 H88 O8 Os4 -","4","1","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","1.54178","CuKα","","0.0265","0.0237","","","0.0571","0.0584","","","","","","1.062","","","","has coordinates","276210","2022-06-23","23:14:32",""
"7710572","11.904","0.004","11.904","0.004","10.58","0.003","90","","90","","90","","1499.2","0.8","100","2","100","2","","","","","","","","3","P -4","P -4","81","Os1-iPr","tetrakis(2-isopropylphenyl)osmium(IV)","","- C36 H44 Os -","- C36 H44 Os -","- C72 H88 Os2 -","2","0.5","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","0.71073","MoKα","","0.0296","0.0205","","","0.0397","0.042","","","","","","1.025","","","","has coordinates","276210","2022-06-23","23:14:32",""
"7710573","16.265","0.003","24.149","0.005","14.951","0.003","90","","93.736","0.003","90","","5860","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Os(mesityl)4","tetrakis(2,4,6-trimethylphenyl)osmium(IV)","","- C36 H44 Os -","- C36 H44 Os -","- C288 H352 Os8 -","8","1","","Parr, Joseph Michael; Olivar, Clarissa; Saal, Thomas; Haiges, Ralf; Inkpen , Michael Stephen","Pushing steric limits in osmium(IV) tetraaryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01706G","","","0.71073","MoKα","","0.0333","0.0257","","","0.0621","0.0676","","","","","","1.16","","","","has coordinates","276210","2022-06-23","23:14:32",""
"7710574","11.3416","0.0011","11.9769","0.0011","20.173","0.002","90.192","0.004","104.416","0.003","100.396","0.003","2607","0.4","106","2","106","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H48 Ag4 Cl16 N18 O28 U3 -","- C88 H48 Ag4 Cl16 N18 O28 U3 -","- C88 H48 Ag4 Cl16 N18 O28 U3 -","1","0.5","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0438","0.0301","","","0.051","0.0547","","","","","","1.021","","","","has coordinates","276211","2022-06-23","23:16:59",""
"7710575","12.9345","0.0005","11.7271","0.0005","17.4596","0.0008","90","","95.082","0.002","90","","2637.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Ag Br6 O8 U -","- C21 H9 Ag Br6 O8 U -","- C84 H36 Ag4 Br24 O32 U4 -","4","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0309","0.0276","","","0.0689","0.0703","","","","","","1.075","","","","has coordinates","276211","2022-06-23","23:16:59",""
"7710576","11.4685","0.0006","12.0683","0.0006","20.6348","0.001","91.656","0.002","104.09","0.002","101.52","0.002","2705.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H48 Ag4 Br16 N18 O28 U3 -","- C88 H48 Ag4 Br16 N18 O28 U3 -","- C88 H48 Ag4 Br16 N18 O28 U3 -","1","0.5","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0325","0.0266","","","0.057","0.059","","","","","","1.016","","","","has coordinates","276211","2022-06-23","23:16:59",""
"7710577","8.9506","0.0003","10.6865","0.0004","12.1235","0.0005","102.007","0.001","103.825","0.001","108.31","0.001","1017.36","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Ag Br N4 O8 U -","- C17 H10 Ag Br N4 O8 U -","- C34 H20 Ag2 Br2 N8 O16 U2 -","2","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0274","0.0234","","","0.0425","0.0438","","","","","","1.052","","","","has coordinates,has disorder","276211","2022-06-23","23:16:59",""
"7710578","16.8738","0.0006","11.6376","0.0004","20.8532","0.0009","90","","91.685","0.001","90","","4093.2","0.3","101","2","101","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Ag F N4 O9 U -","- C17 H12 Ag F N4 O9 U -","- C136 H96 Ag8 F8 N32 O72 U8 -","8","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0157","0.0149","","","0.0341","0.0344","","","","","","1.095","","","","has coordinates","276211","2022-06-23","23:16:59",""
"7710579","9.051","0.0013","10.472","0.0014","12.0195","0.0016","99.151","0.005","98.695","0.005","107.432","0.005","1048.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H9 Ag Cl2 N4 O8 U -","- C17 H9 Ag Cl2 N4 O8 U -","- C34 H18 Ag2 Cl4 N8 O16 U2 -","2","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0571","0.0423","","","0.0961","0.101","","","","","","1.031","","","","has coordinates","276211","2022-06-23","23:16:59",""
"7710580","14.2027","0.0004","17.9512","0.0005","12.1626","0.0004","90","","97.402","0.001","90","","3075.08","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Ag Cl3 N4 O8 U -","- C29 H18 Ag Cl3 N4 O8 U -","- C116 H72 Ag4 Cl12 N16 O32 U4 -","4","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0295","0.0252","","","0.0553","0.0566","","","","","","1.107","","","","has coordinates,has disorder","276211","2022-06-23","23:16:59",""
"7710581","10.34","0.0006","19.0906","0.0011","20.2806","0.0012","64.177","0.002","75.436","0.002","79.015","0.002","3472.7","0.4","106","2","106","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H94 Ag4 F12 N12 O33 U4 -","- C144 H94 Ag4 F12 N12 O33 U4 -","- C144 H94 Ag4 F12 N12 O33 U4 -","1","0.5","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0344","0.0259","","","0.0537","0.0563","","","","","","1.03","","","","has coordinates,has disorder","276211","2022-06-23","23:17:00",""
"7710582","17.6419","0.001","33.4658","0.0019","12.2346","0.0007","90","","90","","90","","7223.3","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C30 H22 Ag2 F2 N10 O13 U -","- C30 H22 Ag2 F2 N10 O13 U -","- C240 H176 Ag16 F16 N80 O104 U8 -","8","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0203","0.0192","","","0.043","0.0435","","","","","","1.109","","","","has coordinates","276211","2022-06-23","23:17:00",""
"7710583","10.0976","0.0006","10.5315","0.0006","15.7506","0.0009","98.64","0.002","90.851","0.002","118.043","0.002","1454.51","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H12 Ag Cl6 N2 O8 U -","- C25 H12 Ag Cl6 N2 O8 U -","- C50 H24 Ag2 Cl12 N4 O16 U2 -","2","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0268","0.0221","","","0.0429","0.0443","","","","","","1.037","","","","has coordinates","276211","2022-06-23","23:17:00",""
"7710584","14.384","0.003","17.836","0.004","12.181","0.002","90","","98.66","0.03","90","","3089.4","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 Ag2 Br6 N8 O16 U2 -","- C58 H36 Ag2 Br6 N8 O16 U2 -","- C116 H72 Ag4 Br12 N16 O32 U4 -","2","0.5","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0513","0.0452","","","0.1015","0.1049","","","","","","1.071","","","","has coordinates,has disorder","276211","2022-06-23","23:17:00",""
"7710585","9.7834","0.0003","9.9477","0.0003","11.9626","0.0003","100.009","0.001","111.546","0.001","106.752","0.001","984.48","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Ag F N4 O8 U -","- C17 H10 Ag F N4 O8 U -","- C34 H20 Ag2 F2 N8 O16 U2 -","2","1","","Brager, Dominique M.; Marwitz, Alexander C.; Cahill, Christopher L.","A spectroscopic, structural, and computational study of Ag-oxo interactions in Ag<sup>+</sup>/UO<sub>2</sub><sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01161a","","","0.71073","MoKα","","0.0259","0.0226","","","0.0424","0.0434","","","","","","1.033","","","","has coordinates","276211","2022-06-23","23:17:00",""
"7710586","11.1341","0.0004","27.736","0.0012","21.0109","0.0009","90","","90","","90","","6488.5","0.5","149.25","","149.25","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C55 H27 B4 Br4 Cl6 F20 N4 O8 -","- C55 H27 B4 Br4 Cl6 F20 N4 O8 -","- C220 H108 B16 Br16 Cl24 F80 N16 O32 -","4","0.5","","Yeung, Jason; Becker, Matthias; Stephan, Douglas W.","Towards macrocyclic frustrated Lewis pairs","Dalton Transactions","2022","","","","","10.1039/D2DT01716D","","","0.71073","MoKα","","0.0803","0.047","","","0.0872","0.0989","","","","","","1.028","","","","has coordinates","276212","2022-06-23","23:18:58",""
"7710587","7.8349","0.0013","9.0678","0.0013","10.3304","0.0016","112.635","0.003","99.067","0.004","108.572","0.004","608.31","0.17","149.49","","149.49","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 B2 N2 O4 -","- C30 H28 B2 N2 O4 -","- C30 H28 B2 N2 O4 -","1","0.5","","Yeung, Jason; Becker, Matthias; Stephan, Douglas W.","Towards macrocyclic frustrated Lewis pairs","Dalton Transactions","2022","","","","","10.1039/D2DT01716D","","","0.71073","MoKα","","0.0591","0.0411","","","0.0941","0.1055","","","","","","1.0584","","","","has coordinates","276212","2022-06-23","23:18:59",""
"7710588","13.0676","0.0007","13.0676","0.0007","16.7235","0.0012","90","","90","","90","","2855.7","0.3","149.76","","149.76","","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C26.5 H14 B2 Cl2 F10 N2 O4 -","- C26.5 H14 B2 Cl2 F10 N2 O4 -","- C106 H56 B8 Cl8 F40 N8 O16 -","4","0.5","","Yeung, Jason; Becker, Matthias; Stephan, Douglas W.","Towards macrocyclic frustrated Lewis pairs","Dalton Transactions","2022","","","","","10.1039/D2DT01716D","","","0.71073","MoKα","","0.0848","0.0385","","","0.0757","0.098","","","","","","1.1476","","","","has coordinates","276212","2022-06-23","23:18:59",""
"7710589","8.9417","0.0006","17.0164","0.0008","10.4599","0.0009","90","","98.318","0.007","90","","1574.79","0.19","93.2","0.3","93.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H36 Cr Mn N O20 -","- C23 H36 Cr Mn N O20 -","- C46 H72 Cr2 Mn2 N2 O40 -","2","0.5","","WU, Jiabing; Huang, Rui-Kang; Takahashi, Kiyonori; Nakamura, Takayoshi","Solvent Dependence of Crystal Structure and Dielectric Relaxation in Ferromagnetic [MnCr(oxalate)3]− Salt","Dalton Transactions","2022","","","","","10.1039/D2DT01615J","","","0.71073","MoKα","","0.1017","0.0779","","","0.1908","0.2044","","","","","","1.028","","","","has coordinates,has disorder","276213","2022-06-23","23:19:44",""
"7710590","9.2411","0.0003","16.5508","0.0004","22.7081","0.0008","90","","94.612","0.003","90","","3461.9","0.19","273","0.2","273","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H40 Cr Mn N O21 -","- C24 H40 Cr Mn N O21 -","- C96 H160 Cr4 Mn4 N4 O84 -","4","1","","WU, Jiabing; Huang, Rui-Kang; Takahashi, Kiyonori; Nakamura, Takayoshi","Solvent Dependence of Crystal Structure and Dielectric Relaxation in Ferromagnetic [MnCr(oxalate)3]− Salt","Dalton Transactions","2022","","","","","10.1039/D2DT01615J","","x-ray","0.71073","MoKα","","0.0653","0.0519","","","0.125","0.1308","","","","","","1.064","","","","has coordinates,has disorder","276213","2022-06-23","23:19:45",""
"7710591","23.386","0.007","24.387","0.008","38.081","0.011","97.486","0.007","95.237","0.007","105.524","0.007","20566","11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C342 H263 Cl16 N66 O64 Zn8 -","- C342 H263 Cl16 N66 O64 Zn8 -","- C684 H526 Cl32 N132 O128 Zn16 -","2","1","","Yuan, Jiayou; Wei, Zhong; Shen, Keshen; Yang, Yang; Liu, Mingxu; Jing, Xu; Duan, Chunying","Encapsulating electron-deficient dyes into Metal-Organic Capsules To Achieve High Reduction Potentials","Dalton Transactions","2022","","","","","10.1039/D2DT01166B","","","0.71073","MoKα","","0.1866","0.1324","","","0.2191","0.2349","","","","","","1.01","","","","has coordinates,has disorder","276262","2022-06-24","22:47:55",""
"7710592","34.9608","0.0007","19.7499","0.0004","14.5059","0.0003","90","","107.905","0.001","90","","9530.8","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.01 H59.39 N6 Na3 O28 Sc2 -","- C28.006 H57.37 N6 Na3 O28 Sc2 -","- C224.048 H458.96 N48 Na24 O224 Sc16 -","8","1","","Aldrich, Kelly E.; Popov, Ivan A.; Root, Harrison D.; Batista, Enrique R.; Greer, Samuel M.; Kozimor, Stosh A.; Lilley, Laura M.; Livshits, Maksim Y.; Mocko, Veronika; Janicke, Michael T.; Scott, Brian L.; Stein, Benjamin W.; Yang, Ping","Synthesis, solid-state, solution, and theoretical characterization of an “in-cage” scandium-NOTA complex","Dalton Transactions","2022","","","","","10.1039/D1DT03887G","","","0.71073","MoKα","","0.0732","0.0608","","","0.1511","0.1583","","","","","","1.082","","","","has coordinates,has disorder","276263","2022-06-24","22:48:54",""
"7710593","34.9608","0.0007","19.7499","0.0004","14.5059","0.0003","90","","107.905","0.001","90","","9530.8","0.3","100","1","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H70 N6 Na3 O30 Sc2 -","- C28 H48 N6 Na3 O19 Sc2 -","- C224 H384 N48 Na24 O152 Sc16 -","8","1","","Aldrich, Kelly E.; Popov, Ivan A.; Root, Harrison D.; Batista, Enrique R.; Greer, Samuel M.; Kozimor, Stosh A.; Lilley, Laura M.; Livshits, Maksim Y.; Mocko, Veronika; Janicke, Michael T.; Scott, Brian L.; Stein, Benjamin W.; Yang, Ping","Synthesis, solid-state, solution, and theoretical characterization of an “in-cage” scandium-NOTA complex","Dalton Transactions","2022","","","","","10.1039/D1DT03887G","","","0.71073","MoKα","","0.0523","0.0427","","","0.0876","0.0913","","","","","","1.04","","","","has coordinates,has disorder","276263","2022-06-24","22:48:55",""
"7710594","11.102","0.002","14.901","0.002","21.157","0.003","90","","102.55","0.02","90","","3416.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B Br N3 Si -","- C32 H52 B Br N3 Si -","- C128 H208 B4 Br4 N12 Si4 -","4","1","","Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang","High yield of a variety of silicon-boron radicals and their reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01318E","","","0.71073","MoKα","","0.0418","0.0325","","","0.0788","0.083","","","","","","1.045","","","","has coordinates,has disorder","276270","2022-06-25","22:45:52",""
"7710595","12.623","0.002","19.291","0.003","14.451","0.002","90","","92.06","0.02","90","","3516.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B I N2 Si -","- C34 H55 B I N2 Si -","- C136 H220 B4 I4 N8 Si4 -","4","1","","Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang","High yield of a variety of silicon-boron radicals and their reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01318E","","","0.71073","MoKα","","0.0645","0.0392","","","0.0659","0.0733","","","","","","1.009","","","","has coordinates","276270","2022-06-25","22:45:53",""
"7710596","30.532","0.003","8.76","0.002","18.768","0.002","90","","122.67","0.02","90","","4225.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 Br N4 Se Si -","- C41 H65 Br N4 Se Si -","- C164 H260 Br4 N16 Se4 Si4 -","4","0.5","","Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang","High yield of a variety of silicon-boron radicals and their reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01318E","","","0.71073","MoKα","","0.0298","0.0234","","","0.0522","0.0544","","","","","","1.04","","","","has coordinates,has disorder","276270","2022-06-25","22:45:53",""
"7710597","12.626","0.002","18.594","0.003","14.454","0.002","90","","90.75","0.02","90","","3393","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 B I N3 Si -","- C32 H52 B I N3 Si -","- C128 H208 B4 I4 N12 Si4 -","4","1","","Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang","High yield of a variety of silicon-boron radicals and their reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01318E","","","0.71073","MoKα","","0.0499","0.0447","","","0.0911","0.0938","","","","","","1.158","","","","has coordinates","276270","2022-06-25","22:45:53",""
"7710598","16.079","0.003","12.497","0.002","17.886","0.003","90","","106.12","0.02","90","","3452.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B Br2 N2 Si -","- C34 H55 B Br2 N2 Si -","- C136 H220 B4 Br8 N8 Si4 -","4","1","","Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang","High yield of a variety of silicon-boron radicals and their reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT01318E","","","0.71073","MoKα","","0.0608","0.0448","","","0.1111","0.1226","","","","","","1.133","","","","has coordinates","276270","2022-06-25","22:45:53",""
"7710599","8.5899","0.0003","10.3201","0.0003","20.3051","0.0006","94.917","0.002","93.923","0.003","106.867","0.003","1708.01","0.1","293","2","293","2","","","","","","","Rostov-on-Don, Russia","6","P -1","-P 1","2","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) percholrate","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) percholrate","","- C32 H39 Cl Fe N4 O6.5 -","- C32 H39 Cl Fe N4 O6.5 -","- C64 H78 Cl2 Fe2 N8 O13 -","2","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0468","0.0418","","","0.1149","0.122","","","","","","1.026","","","","has coordinates,has disorder","277106","2022-08-06","11:47:12",""
"7710600","8.3709","0.0002","10.3122","0.0002","19.7722","0.0003","97.511","0.002","92.574","0.002","106.888","0.002","1612.97","0.06","100.01","0.11","100.01","0.11","","","","","","","Rostov-on-Don, Russia","6","P -1","-P 1","2","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) percholrate","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) percholrate","","- C32 H39 Cl Fe N4 O6.5 -","- C32 H39 Cl Fe N4 O6.5 -","- C64 H78 Cl2 Fe2 N8 O13 -","2","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0369","0.0355","","","0.0925","0.0941","","","","","","1.039","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710601","8.374","0.0003","10.2623","0.0003","19.6717","0.0006","97.06","0.002","93.064","0.003","106.882","0.003","1598.31","0.09","100.02","0.11","100.02","0.11","","","","","","","Rostov-on-Don, Russia","7","P -1","-P 1","2","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) tetrafluoroborate","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) tetrafluoroborate","","- C32 H39 B F4 Fe N4 O2.5 -","- C32 H39 B F4 Fe N4 O2.5 -","- C64 H78 B2 F8 Fe2 N8 O5 -","2","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0576","0.0519","","","0.1264","0.1317","","","","","","1.042","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710602","8.5955","0.0005","10.2994","0.0004","20.1677","0.0008","94.46","0.003","94.614","0.004","106.445","0.004","1697.36","0.14","293","2","293","2","","","","","","","Rostov-on-Don, Russia","7","P -1","-P 1","2","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) tetrafluoroborate","3 - (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) tetrafluoroborate","","- C32 H38.67 B F4 Fe N4 O2.33 -","- C32 H38.666 B F4 Fe N4 O2.333 -","- C64 H77.332 B2 F8 Fe2 N8 O4.666 -","2","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0799","0.0589","","","0.1612","0.1818","","","","","","1.019","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710603","23.8272","0.0003","18.6423","0.0002","15.0968","0.0002","90","","90","","90","","6705.91","0.14","100.01","0.15","100.01","0.15","","","","","","","Rostov-on-Don, Russia","7","P b c n","-P 2n 2ab","60","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","","- C32 H38 F6.01 Fe N4 O2 P -","- C32 H38 F6.006 Fe N4 O2 P -","- C256 H304 F48.048 Fe8 N32 O16 P8 -","8","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.038","0.0339","","","0.0842","0.0877","","","","","","1.023","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710604","24.0039","0.0003","18.8295","0.0002","15.3066","0.0001","90","","90","","90","","6918.3","0.12","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","(3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate","","- C32 H38 F6 Fe N4 O2 P -","- C32 H38 F6 Fe N4 O2 P -","- C256 H304 F48 Fe8 N32 O16 P8 -","8","1","","Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander","Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10909","10919","10.1039/d2dt01207c","","x-ray","1.54184","CuKα","","0.0537","0.0467","","","0.1256","0.1332","","","","","","1.056","","","","has coordinates,has disorder","277106","2022-08-06","11:47:13",""
"7710605","12.7951","0.0002","13.8633","0.0002","17.7829","0.0004","90","","93.54","0.002","90","","3148.35","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 N6 Si4 U -","- C22 H42 N6 Si4 U -","- C88 H168 N24 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0258","0.0218","","","0.0569","0.0583","","","","","","1.059","","","","has coordinates","277109","2022-08-06","11:48:17",""
"7710606","11.9819","0.0003","12.0057","0.0003","21.4026","0.0004","105.428","0.002","93.616","0.002","111.738","0.002","2711.53","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H65 Cl2 O2 Si4 U -","- C55 H65 Cl2 O2 Si4 U -","- C110 H130 Cl4 O4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0423","0.037","","","0.0997","0.1025","","","","","","1.133","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710607","21.5053","0.0003","11.6123","0.0002","20.7096","0.0003","90","","91.073","0.001","90","","5170.82","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H74 N2 Si4 U -","- C51 H74 N2 Si4 U -","- C204 H296 N8 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0311","0.0269","","","0.0728","0.0745","","","","","","1.108","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710608","11.6893","0.0003","12.062","0.0004","23.1044","0.0003","87.659","0.002","80.068","0.002","64.874","0.003","2903.27","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 N S Si6 U -","- C54 H76 N S Si6 U -","- C108 H152 N2 S2 Si12 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0537","0.0497","","","0.1301","0.1333","","","","","","1.085","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710609","11.57","0.0005","12.2058","0.0005","23.538","0.0006","90.262","0.003","102.482","0.003","90.682","0.003","3245.2","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H90 O2 Si6 U -","- C66 H90 O2 Si6 U -","- C132 H180 O4 Si12 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0734","0.0662","","","0.1694","0.1748","","","","","","1.065","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710610","11.8507","0.0002","12.1083","0.0002","19.7897","0.0003","76.927","0.002","89.4","0.002","68.021","0.002","2556.36","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H68 O2 Si4 U -","- C54 H68 O2 Si4 U -","- C108 H136 O4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0641","0.0605","","","0.1604","0.1664","","","","","","1.086","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710611","11.8426","0.0002","13.5469","0.0002","14.926","0.0001","85.259","0.001","87.947","0.001","74.723","0.001","2301.82","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 N S Si4 U -","- C45 H57 N S Si4 U -","- C90 H114 N2 S2 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0334","0.0287","","","0.0763","0.0783","","","","","","1.118","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710612","12.1443","0.0003","12.5856","0.0003","18.7447","0.0003","99.809","0.002","99.477","0.002","117.241","0.002","2411.82","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H68 Si6 U -","- C44 H68 Si6 U -","- C88 H136 Si12 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0235","0.0228","","","0.0567","0.0573","","","","","","1.053","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710613","11.6769","0.0002","12.1414","0.0002","22.3112","0.0002","97.355","0.001","98.38","0.001","106.979","0.001","2943.94","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 N2 Si6 U -","- C58 H78 N2 Si6 U -","- C116 H156 N4 Si12 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0732","0.0635","","","0.1826","0.1912","","","","","","1.039","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710614","11.1296","0.0003","11.5631","0.0003","20.5536","0.0002","93.068","0.002","92.354","0.002","108.278","0.002","2503.37","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 N2 Si4 U -","- C51 H68 N2 Si4 U -","- C102 H136 N4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.044","0.0402","","","0.1004","0.1021","","","","","","1.081","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710615","12.5008","0.0003","14.1759","0.0003","19.8061","0.0004","86.336","0.002","88.711","0.002","78.197","0.002","3428.45","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H84 S2 Si4 U -","- C76 H84 S2 Si4 U -","- C152 H168 S4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.046","0.0416","","","0.1067","0.1098","","","","","","1.105","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710616","13.3718","0.0002","15.3179","0.0003","28.483","0.0005","90","","90","","90","","5834.11","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H78 O Si6 U -","- C57 H78 O Si6 U -","- C228 H312 O4 Si24 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.0996","0.1022","","","","","","1.094","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710617","12.0572","0.0002","13.0416","0.0001","19.9628","0.0002","79.562","0.001","75.378","0.001","81.025","0.001","2967","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C65 H77 O2 Si4 U -","- C65 H77 O2 Si4 U -","- C130 H154 O4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.0463","0.0392","","","0.0917","0.0966","","","","","","1.024","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710618","11.218","0.007","14.339","0.008","15.15","0.009","67.92","0.03","75.53","0.02","82.16","0.03","2184","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 B Cl6 F2 N5 -","- C44 H34 B Cl6 F2 N5 -","- C88 H68 B2 Cl12 F4 N10 -","2","1","","Paul, Subhadeep; Pathak, Sanmoy; Sahoo, Somarupa; Maji, Ram Chandra; Bhattacharyya, Utso; Nandi, Dipankar; Chakravarty, Akhil R.","Bichromophoric ruthenium(ii) bis-terpyridine-BODIPY based photosensitizers for cellular imaging and photodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT01137A","","","0.71076","MoKα","","0.1819","0.0973","","","0.2454","0.3057","","","","","","1.017","","","","has coordinates,has disorder","276302","2022-06-27","22:56:57",""
"7710619","8.8067","0.0002","24.6376","0.0008","11.8907","0.0004","90","","106.705","0.001","90","","2471.11","0.13","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 B11 N -","- C18 H38 B11 N -","- C72 H152 B44 N4 -","4","1","","Duttwyler, Simon; Liu, Fan; Chen, Tao; Zhang, Kang; Jiang, Tao; Liu, Jiyong","Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]–","Dalton Transactions","2022","","","","","10.1039/D2DT01048H","","","0.71073","MoKα","","0.06","0.0485","","","0.1374","0.1477","","","","","","1.057","","","","has coordinates","276371","2022-06-28","22:51:10",""
"7710620","9.4648","0.001","11.1951","0.0012","12.0223","0.0013","94.711","0.004","92.228","0.004","107.742","0.004","1206.4","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 B11 N O -","- C18 H36 B11 N O -","- C36 H72 B22 N2 O2 -","2","1","","Duttwyler, Simon; Liu, Fan; Chen, Tao; Zhang, Kang; Jiang, Tao; Liu, Jiyong","Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]–","Dalton Transactions","2022","","","","","10.1039/D2DT01048H","","","0.71073","MoKα","","0.0764","0.0532","","","0.1373","0.1532","","","","","","1.018","","","","has coordinates","276371","2022-06-28","22:51:11",""
"7710621","32.0811","0.0011","12.8344","0.0004","13.7547","0.0005","90","","108.944","0.002","90","","5356.6","0.3","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 B22 O P2 -","- C45 H58 B22 O P2 -","- C180 H232 B88 O4 P8 -","4","0.5","","Duttwyler, Simon; Liu, Fan; Chen, Tao; Zhang, Kang; Jiang, Tao; Liu, Jiyong","Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]–","Dalton Transactions","2022","","","","","10.1039/D2DT01048H","","","0.71073","MoKα","","0.0545","0.0441","","","0.1101","0.118","","","","","","1.038","","","","has coordinates,has disorder","276371","2022-06-28","22:51:11",""
"7710622","17.8925","0.001","22.8056","0.001","11.5812","0.0006","90","","95.226","0.002","90","","4706.1","0.4","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 B11 N2 -","- C16 H35 B11 N2 -","- C128 H280 B88 N16 -","8","2","","Duttwyler, Simon; Liu, Fan; Chen, Tao; Zhang, Kang; Jiang, Tao; Liu, Jiyong","Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]–","Dalton Transactions","2022","","","","","10.1039/D2DT01048H","","","0.71073","MoKα","","0.0981","0.0613","","","0.1532","0.1835","","","","","","1.016","","","","has coordinates","276371","2022-06-28","22:51:11",""
"7710623","6.1147","0.0003","5.2369","0.0003","15.3002","0.0008","90","","91.574","0.002","90","","489.76","0.04","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H12 Mg N2 O10 S2 -","- H12 Mg N2 O10 S2 -","- H24 Mg2 N4 O20 S4 -","2","0.5","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0476","0.0338","","","0.0858","0.0892","","","","","","1.065","","","","has coordinates","276372","2022-06-28","22:53:28",""
"7710624","7.99","0.003","8.123","0.003","12.009","0.004","90","","90","","90","","779.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ca H6 N2 O7 S2 -","- Ca H6 N2 O7 S2 -","- Ca4 H24 N8 O28 S8 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0881","0.0658","","","0.15","0.1571","","","","","","1.164","","","","has coordinates","276372","2022-06-28","22:53:28",""
"7710625","8.6933","0.0005","7.1572","0.0004","8.7826","0.0006","90","","92.628","0.004","90","","545.88","0.06","278","2","278","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- N4 S4 -","- N4 S4 -","- N16 S16 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0664","0.0467","","","0.0972","0.106","","","","","","1.132","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710626","11.9293","0.0008","7.8827","0.0005","11.8664","0.0008","90","","99.593","0.003","90","","1100.25","0.13","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H12 N2 O10 S2 Sr -","- H12 N2 O10 S2 Sr -","- H48 N8 O40 S8 Sr4 -","4","0.5","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.019","0.0165","","","0.0391","0.0397","","","","","","1.124","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710627","7.0047","0.0003","7.0574","0.0003","7.143","0.0003","90","","107.246","0.003","90","","337.24","0.03","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H4 N2 O6 S2 Sr -","- H4 N2 O6 S2 Sr -","- H8 N4 O12 S4 Sr2 -","2","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0318","0.0267","","","0.0481","0.0493","","","","","","1.049","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710628","11.625","0.0004","7.7639","0.0003","11.6238","0.0004","90","","98.957","0.002","90","","1036.32","0.06","266","2","266","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca2 H24 N4 O20 S4 -","- Ca2 H24 N4 O20 S4 -","- Ca4 H48 N8 O40 S8 -","2","0.25","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0515","0.0305","","","0.0625","0.0702","","","","","","1.114","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710629","7.0842","0.0003","7.2765","0.0003","14.8525","0.0006","90","","102.801","0.0015","90","","746.59","0.05","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H6 N2 O7 S2 Sr -","- H6 N2 O7 S2 Sr -","- H24 N8 O28 S8 Sr4 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0327","0.0242","","","0.0524","0.0547","","","","","","1.088","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710630","10.5749","0.0008","13.3927","0.001","4.8168","0.0004","90","","90","","90","","682.19","0.09","283","2","283","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba H4 N2 O6 S2 -","- Ba H4 N2 O6 S2 -","- Ba4 H16 N8 O24 S8 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0637","0.0364","","","0.0631","0.07","","","","","","0.953","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710631","5.2305","0.0005","8.0012","0.0009","10.9903","0.0014","95.057","0.007","96.011","0.005","92.464","0.005","455","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H10 Mg N2 O9 S2 -","- H10 Mg N2 O9 S2 -","- H20 Mg2 N4 O18 S4 -","2","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0476","0.0322","","","0.0789","0.0846","","","","","","1.088","","","","has coordinates","276372","2022-06-28","22:53:29",""
"7710632","7.005","0.0002","7.043","0.0002","7.2915","0.0002","90","","107.787","0.001","90","","342.539","0.017","297","2","297","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- H4 N2 O6 S2 Sr -","- H4 N2 O6 S2 Sr -","- H8 N4 O12 S4 Sr2 -","2","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0512","0.0394","","","0.1042","0.1098","","","","","","1.085","","","","has coordinates,has disorder","276372","2022-06-28","22:53:29",""
"7710633","9.873","0.002","13.529","0.003","12.606","0.003","90","","105.15","0.03","90","","1625.3","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H31 F3 O3 P2 Pd S -","- C36 H31 F3 O3 P2 Pd S -","- C72 H62 F6 O6 P4 Pd2 S2 -","2","1","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0227","0.0226","","","0.0605","0.0607","","","","","","1.03","","","","has coordinates","276373","2022-06-28","22:55:58",""
"7710634","11.467","0.002","34.352","0.007","12.671","0.003","90","","106.03","0.03","90","","4797.2","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 Cl10 O4 P2 Pd -","- C46 H32 Cl10 O4 P2 Pd -","- C184 H128 Cl40 O16 P8 Pd4 -","4","1","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.044","0.0387","","","0.1023","0.1065","","","","","","1.025","","","","has coordinates","276373","2022-06-28","22:55:59",""
"7710635","11.678","0.002","16.434","0.003","20.129","0.004","90","","106.35","0.03","90","","3706.9","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 F3 Fe O3 P2 Pd S -","- C44 H35 F3 Fe O3 P2 Pd S -","- C176 H140 F12 Fe4 O12 P8 Pd4 S4 -","4","1","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0279","0.0258","","","0.0715","0.0726","","","","","","1.059","","","","has coordinates","276373","2022-06-28","22:55:59",""
"7710636","10.196","0.002","11.919","0.002","18.601","0.004","96.61","0.03","101.71","0.03","100.32","0.03","2150.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.25 H63.75 Cl1.75 O4.75 P Pd -","- C45.25 H63.75 Cl1.75 O4.75 P Pd -","- C90.5 H127.5 Cl3.5 O9.5 P2 Pd2 -","2","1","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0714","0.057","","","0.1473","0.1602","","","","","","1.05","","","","has coordinates,has disorder","276373","2022-06-28","22:56:00",""
"7710637","19.642","0.004","45.952","0.009","11.984","0.002","90","","90","","90","","10817","4","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C37.33 H33.33 Cl F3 O3 P2 Pd S -","- C37.3333 H33.3333 Cl F2.83333 O2.83333 P2 Pd S -","- C448 H400 Cl12 F34 O34 P24 Pd12 S12 -","12","1.5","","Scattolin, Thomas; Visentin, Fabiano; Bortolamiol, Enrica; Caligiuri, Isabella; Rizzolio, Flavio; Cavallo, Luigi; Zhang, Ziyun; Demitri, Nicola; Fama, Francesco","Cationic Palladium(II)-Indenyl complexes bearing phosphines as ancillary ligands: synthesis, study of indenyl amination and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT01821G","","","0.62","Synchrotron","","0.0462","0.042","","","0.1411","0.1463","","","","","","1.031","","","","has coordinates,has disorder","276373","2022-06-28","22:56:00",""
"7710638","16.3651","0.0005","16.3651","0.0005","27.0314","0.0009","90","","90","","90","","7239.5","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.28 N4 Si7.72 -","- C60 H104 Ge2.2748 N4 Si7.7252 -","- C240 H416 Ge9.0992 N16 Si30.9008 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0182","0.0175","","","0.049","0.0493","","","","","","1.08","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7710639","16.3876","0.0008","16.3876","0.0008","27.0831","0.0013","90","","90","","90","","7273.3","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge3.89 N4 Si6.11 -","- C60 H104 Ge3.89 N4 Si6.11 -","- C240 H416 Ge15.56 N16 Si24.44 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0293","0.0267","","","0.0632","0.0641","","","","","","1.077","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7710640","16.3758","0.0005","16.3758","0.0005","27.0498","0.0009","90","","90","","90","","7253.9","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H104 Ge2.9 N4 Si7.1 -","- C60 H104 Ge2.904 N4 Si7.096 -","- C240 H416 Ge11.616 N16 Si28.384 -","4","0.5","","Helmer, Joschua; Droste, Jörn; Hansen, Michael Ryan; Hepp, Alexander; Lips, Felicitas","Unsaturated amido-substituted six-vertex mixed silicon germanium clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01746F","","","0.71073","MoKα","","0.0188","0.0179","","","0.0476","0.0479","","","","","","1.03","","","","has coordinates,has disorder","276416","2022-06-29","23:02:29",""
"7710641","15.508","0.003","13.606","0.004","18.951","0.003","90","","112.56","0.02","90","","3692.7","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 F6 Ir N7 O2 P -","- C33 H27 F6 Ir N7 O2 P -","- C132 H108 F24 Ir4 N28 O8 P4 -","4","1","","Khatua, Snehadrinarayan; Rabha, Monosh; Sen, Bhaskar; Sheet, Sanjoy Kr; Aguan, Kripamoy","Cyclometalated Iridium(III) Complex of a 1,2,3-Triazole-based Ligand for Highly Selective Sensing of Pyrophosphate Ion","Dalton Transactions","2022","","","","","10.1039/D2DT01634F","","","0.71073","MoKα","","0.2274","0.1312","","","0.3105","0.3778","","","","","","1.06","","","","has coordinates","276417","2022-06-29","23:03:17",""
"7710642","21.8571","0.0003","17.8537","0.0002","26.4192","0.0006","90","","114.129","0.002","90","","9408.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N O36 P2 Zr6 -","- C51 H41 N O36 P2 Zr6 -","- C204 H164 N4 O144 P8 Zr24 -","4","1","","Chen, Jiawei; Ye, Zhi; Chen, Peican; Hu, Huihui; Zhang, Shuhong; Xu, Han; Cao, Lingyun; Wang, Cheng","Two-Dimensional Metal–Organic Layers Constructed from Hf6/Hf12-oxo Clusters and Trigonal Pyramidal Phosphine Oxide Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01239A","","x-ray","1.54184","CuKα","","0.0655","0.0507","","","0.1191","0.1254","","","","","","1.035","","","","has coordinates,has disorder","276418","2022-06-29","23:03:45",""
"7710643","20.2041","0.0008","10.0613","0.0007","20.8767","0.0011","90","","115.022","0.003","90","","3845.5","0.4","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H64 Al3 N5 O -","- C36 H64 Al3 N5 O -","- C144 H256 Al12 N20 O4 -","4","1","","Lara, Agustin; Castro-Osma, José Antonio; North, Michael; Gaona, Miguel Ángel; de la Cruz-Martínez, Felipe; Rodríguez, Ana María; Caballero Espinosa, María del Prado; Francés-Poveda, Enrique; Rodríguez Diéguez, Antonio","Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates. Catalytic studies for cyclic carbonate synthesis.","Dalton Transactions","2022","","","","","10.1039/D2DT01645A","","","0.71069","MoKα","","0.0484","0.0399","","","0.0932","0.0972","","","","","","1.032","","","","has coordinates","276419","2022-06-29","23:04:21",""
"7710644","11.7654","0.0013","19.445","0.002","13.2565","0.0015","90","","97.233","0.001","90","","3008.7","0.6","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Al2 N5 O -","- C27 H45 Al2 N5 O -","- C108 H180 Al8 N20 O4 -","4","1","","Lara, Agustin; Castro-Osma, José Antonio; North, Michael; Gaona, Miguel Ángel; de la Cruz-Martínez, Felipe; Rodríguez, Ana María; Caballero Espinosa, María del Prado; Francés-Poveda, Enrique; Rodríguez Diéguez, Antonio","Closing the loop in the synthesis of heteroscorpionate-based aluminium helicates. Catalytic studies for cyclic carbonate synthesis.","Dalton Transactions","2022","","","","","10.1039/D2DT01645A","","","0.71073","MoKα","","0.058","0.0391","","","0.095","0.1073","","","","","","1.011","","","","has coordinates","276419","2022-06-29","23:04:22",""
"7710645","7.3929","0.0003","8.783","0.0005","12.2365","0.0006","70.837","0.002","73.478","0.002","69.922","0.003","691.57","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl6 N6 O8 U2 -","- C12 H22 Cl6 N6 O8 U2 -","- C12 H22 Cl6 N6 O8 U2 -","1","0.5","","Byrne, Nicole M.; Schofield, Mark Hopkins; Cahill, Chris","A novel symmetric pyrazine (pyz)-bridged uranyl dimer [UO2Cl3(H2O)(Pyz)0.5]22-: Synthesis, structural and computational analysis","Dalton Transactions","2022","","","","","10.1039/D2DT01486F","","","0.71073","MoKα","","0.011","0.0106","","","0.0254","0.0256","","","","","","1.058","","","","has coordinates","276459","2022-06-30","22:53:43",""
"7710646","10.0553","0.0005","31.7945","0.0016","39.5192","0.0019","90","","90","","90","","12634.4","1.1","100","2","100","2","","","","","","","synthetical product","6","P 21 21 21","P 2ac 2ab","19","bis(mu2-sulfido)-bis(L-histidinato-O,N,N')-dioxo-di-tungsten(V) hydrate (6:17)","bis(mu2-sulfido)-bis(S-2-amino-3-(1H-imidazol-4-yl)propanoato-O,N,N')-dioxo-di-tungsten(V) hydrate (6:17)","","- C72 H130 N36 O53 S12 W12 -","- C72 H130 N36 O53 S12 W12 -","- C288 H520 N144 O212 S48 W48 -","4","1","","Varbanov, Hristo Plamenov; Glasnov, Toma N.; Belaj, Ferdinand; Herbert, Simon; Brumby, Thomas; Moesch-Zanetti, Nadia Carmen","New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(V) dimeric complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01470J","","","0.71073","MoKα","","0.055","0.0387","","","0.0588","0.0636","","","","","","1.014","","","","has coordinates,has disorder","276460","2022-06-30","22:54:38",""
"7710647","18.0697","0.0007","18.0697","0.0007","45.2783","0.0018","90","","90","","120","","12803.3","0.9","100","2","100","2","","","","","","","synthetical product","7","R -3 :H","-R 3","148","tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct","tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct","","- C18 H70 K8 N12 O32 S22 W10 -","- C18 H70.002 K8.0001 N12 O32.001 S22 W10 -","- C108 H420.012 K48.0006 N72 O192.006 S132 W60 -","6","0.333333","","Varbanov, Hristo Plamenov; Glasnov, Toma N.; Belaj, Ferdinand; Herbert, Simon; Brumby, Thomas; Moesch-Zanetti, Nadia Carmen","New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(V) dimeric complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01470J","","","0.71073","MoKα","","0.0292","0.0246","","","0.0556","0.057","","","","","","1.037","","","","has coordinates,has disorder","276460","2022-06-30","22:54:39",""
"7710648","31.4788","0.0005","30.5879","0.0005","39.9794","0.0007","90","","100.927","0.002","90","","37797","1.1","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C367.4 H332.1 B16 F64 N74.3 Ni8 O22.2 -","- C354.4 H280.1 B9.6 F38.4 N74.3 Ni8 O9.2 -","- C1417.6 H1120.4 B38.4 F153.6 N297.2 Ni32 O36.8 -","4","1","","Solea, Atena B.; Sudittapong, Burin; Taylor, Christopher G. P.; Ward, Michael D.","Inside or outside the box? Effect of substrate location on coordination-cage based catalysis","Dalton Transactions","2022","","","","","10.1039/D2DT01713J","","x-ray","1.54184","CuKα","","0.2009","0.1191","","","0.3261","0.4049","","","","","","1.183","","","","has coordinates,has disorder","276461","2022-06-30","22:55:38",""
"7710649","15.9924","0.0007","16.531","0.0007","18.2303","0.0008","81.979","0.003","73.636","0.004","73.059","0.003","4415","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H112 Au2 Cl2 N4 Ti2 -","- C95 H112 Au2 Cl2 N4 Ti2 -","- C190 H224 Au4 Cl4 N8 Ti4 -","2","1","","Uhlmann, Cedric; Feuerstein, Thomas J.; Seifert, Tim P.; Jung, André P.; Gamer, Michael T.; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Luminescent early-late-hetero-tetranuclear group IV – Au(i) bisamidinate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00458E","","x-ray","0.71073","MoKα","","0.1046","0.0556","","","0.131","0.1479","","","","","","0.942","","","","has coordinates,has disorder","276490","2022-07-01","22:48:26",""
"7710650","10.2511","0.0004","14.1743","0.0006","14.808","0.0005","85.57","0.003","73.58","0.003","78.177","0.003","2019.67","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C83.5 H102 Au2 Cl2 N4 Zr2 -","- C83.5 H102 Au2 Cl2 N4 Zr2 -","- C83.5 H102 Au2 Cl2 N4 Zr2 -","1","0.5","","Uhlmann, Cedric; Feuerstein, Thomas J.; Seifert, Tim P.; Jung, André P.; Gamer, Michael T.; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Luminescent early-late-hetero-tetranuclear group IV – Au(i) bisamidinate complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00458E","","x-ray","0.71073","MoKα","","0.0784","0.0457","","","0.0982","0.1087","","","","","","0.975","","","","has coordinates,has disorder","276490","2022-07-01","22:48:45",""
"7710651","11.1141","0.0002","14.5456","0.0003","16.2","0.0003","90","","94.318","0.001","90","","2611.48","0.09","100","0.1","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H39 Cl3 N O V -","- C24 H39 Cl3 N O V -","- C96 H156 Cl12 N4 O4 V4 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0523","0.0517","","","0.1421","0.1426","","","","","","1.096","","","","has coordinates","276491","2022-07-01","22:52:41",""
"7710652","20.5017","0.0001","9.5145","0.0001","18.8455","0.0001","90","","96.115","0.001","90","","3655.15","0.05","100.01","0.1","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H192 Cl24 N16 V8 -","- C116 H192 Cl24 N16 V8 -","- C116 H192 Cl24 N16 V8 -","1","0.125","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.027","0.0269","","","0.0716","0.0716","","","","","","1.073","","","","has coordinates,has disorder","276491","2022-07-01","22:52:41",""
"7710653","16.2977","0.0001","16.1957","0.0001","16.9334","0.0001","90","","90","","90","","4469.62","0.05","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl3 N V -","- C20 H31 Cl3 N V -","- C160 H248 Cl24 N8 V8 -","8","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0271","0.0256","","","0.0687","0.0699","","","","","","1.055","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710654","9.9087","0.0002","10.3756","0.0002","14.9101","0.0003","110.238","0.002","92.849","0.002","103.498","0.002","1384.16","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C2.9 H4.2 Cl0.2 N0.1 V0.1 -","- C2.9 H4.2 Cl0.2 N0.1 V0.1 -","- C58 H84 Cl4 N2 V2 -","20","10","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0385","0.0373","","","0.1","0.1009","","","","","","1.066","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710655","16.2209","0.0001","16.6404","0.0001","17.0229","0.0001","90","","90","","90","","4594.86","0.05","100","0.1","100.1","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C42 H48 Cl6 N4 V2 -","- C42 H48 Cl6 N4 V2 -","- C168 H192 Cl24 N16 V8 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0352","0.0347","","","0.0919","0.0924","","","","","","1.025","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710656","9.4909","0.0002","9.5344","0.0002","18.2708","0.0004","75.774","0.002","89.065","0.001","69.437","0.002","1496.05","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 Cl2 N2 V -","- C32 H41 Cl2 N2 V -","- C64 H82 Cl4 N4 V2 -","2","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0388","0.0365","","","0.0904","0.0916","","","","","","1.064","","","","has coordinates,has disorder","276491","2022-07-01","22:52:42",""
"7710657","13.7553","0.0002","18.0303","0.0003","20.1548","0.0004","104.692","0.002","104.462","0.001","106.015","0.001","4364.13","0.15","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C89 H133 Cl6 N4 V2 -","- C89 H133 Cl6 N4 V2 -","- C178 H266 Cl12 N8 V4 -","2","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0529","0.0498","","","0.1407","0.1437","","","","","","1.043","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710658","18.2002","0.0001","16.2414","0.0001","20.1852","0.0001","90","","102.972","0.001","90","","5814.41","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl3 N2 V -","- C27 H36 Cl3 N2 V -","- C216 H288 Cl24 N16 V8 -","8","2","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0371","0.0349","","","0.0853","0.0865","","","","","","1.061","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710659","15.6071","0.0002","12.4727","0.0002","17.0607","0.0002","90","","105.056","0.001","90","","3207.08","0.08","100.01","0.11","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl3 F N3 V -","- C33 H34 Cl3 F N3 V -","- C132 H136 Cl12 F4 N12 V4 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0366","0.033","","","0.0908","0.0932","","","","","","1.069","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710660","18.8874","0.0001","16.5275","0.0001","18.4626","0.0001","90","","91.603","0.001","90","","5761.06","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Cl3 N2 O V -","- C27 H36 Cl3 N2 O V -","- C216 H288 Cl24 N16 O8 V8 -","8","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0283","0.0276","","","0.077","0.0775","","","","","","1.07","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710661","8.2007","0.0002","10.9533","0.0002","15.7167","0.0004","92.43","0.002","99.959","0.002","94.631","0.002","1383.65","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 Cl6 N6 V2 -","- C56 H62 Cl6 N6 V2 -","- C56 H62 Cl6 N6 V2 -","1","0.5","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0347","0.0314","","","0.0838","0.0858","","","","","","1.06","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710662","11.5192","0.0001","12.8095","0.0001","17.8255","0.0002","90","","90","","90","","2630.25","0.04","100","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Cl3 N4 V -","- C22 H40 Cl3 N4 V -","- C88 H160 Cl12 N16 V4 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.026","0.0255","","","0.0681","0.0684","","","","","","1.056","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710663","21.1014","0.0002","18.6635","0.0002","16.375","0.0002","90","","90","","90","","6448.9","0.12","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H46 Cl3 N2 O V -","- C31 H46 Cl3 N2 O V -","- C248 H368 Cl24 N16 O8 V8 -","8","2","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0391","0.0365","","","0.0937","0.0954","","","","","","1.04","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710664","18.1568","0.0001","16.2577","0.0001","20.3473","0.0002","90","","102.581","0.001","90","","5862.06","0.08","103","6","103","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl3 N2 V -","- C27 H38 Cl3 N2 V -","- C216 H304 Cl24 N16 V8 -","8","2","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0417","0.0377","","","0.0901","0.092","","","","","","1.056","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710665","12.6704","0.0001","40.7623","0.0003","20.1932","0.0001","90","","97.136","0.001","90","","10348.5","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C117 H141 N9 O3 -","- C117 H141 N9 O3 -","- C468 H564 N36 O12 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0549","0.0478","","","0.1142","0.1184","","","","","","1.048","","","","has coordinates,has disorder","276491","2022-07-01","22:52:43",""
"7710666","11.341","0.0002","12.7402","0.0002","13.5942","0.0002","84.004","0.001","86.238","0.001","67.615","0.001","1805.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H108 Cl4 N2 V2 -","- C76 H108 Cl4 N2 V2 -","- C76 H108 Cl4 N2 V2 -","1","0.5","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0442","0.0431","","","0.1162","0.1172","","","","","","1.042","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710667","13.2314","0.0001","16.1066","0.0001","13.366","0.0001","90","","93.432","0.001","90","","2843.36","0.04","100","0.1","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cl3 N2 O V -","- C27 H38 Cl3 N2 O V -","- C108 H152 Cl12 N8 O4 V4 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0283","0.0277","","","0.0737","0.0741","","","","","","1.041","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710668","29.9798","0.0006","29.9798","0.0006","29.9798","0.0006","90","","90","","90","","26945.5","0.9","200","","200","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C389.79 H204 O327.91 Zr61.34 -","- C389.784 H204 O327.886 Zr61.338 -","- C389.784 H204 O327.886 Zr61.338 -","1","0.0208333","","Guo, Fua-An; Zhou, Kang; Liu, Jiaqi; Li, Xingyu; Wang, Hao","A Microporous Zr6@Zr-MOF for the Separation of Xe and Kr","Dalton Transactions","2022","","","","","10.1039/D2DT01108E","","","1.54178","CuKα","","0.0876","0.0775","","","0.1957","0.2018","","","","","","1.048","","","","has coordinates,has disorder","276500","2022-07-02","22:50:08",""
"7710669","29.9252","0.0015","29.9252","0.0015","29.9252","0.0015","90","","90","","90","","26799","2","200","","200","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C54.45 H24 O40.4 Zr7.57 -","- C54.45 H24 O40.4 Zr7.575 -","- C435.6 H192 O323.2 Zr60.6 -","8","0.166667","","Guo, Fua-An; Zhou, Kang; Liu, Jiaqi; Li, Xingyu; Wang, Hao","A Microporous Zr6@Zr-MOF for the Separation of Xe and Kr","Dalton Transactions","2022","","","","","10.1039/D2DT01108E","","","1.54178","CuKα","","0.0688","0.0675","","","0.1694","0.1704","","","","","","1.053","","","","has coordinates,has disorder","276500","2022-07-02","22:50:18",""
"7710670","18.11633","0.0001","18.11633","0.0001","11.42819","0.00006","90","","90","","120","","3248.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H34 K2 N10 O29 V4 -","- C20 H24 K2 N10 O24 V4 -","- C60 H72 K6 N30 O72 V12 -","3","0.5","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0477","0.0472","","","0.1253","0.1259","","","","","","1.04","","","","has coordinates","276501","2022-07-02","22:53:09",""
"7710671","12.6075","0.0005","19.6716","0.0006","19.2268","0.0006","90","","90","","90","","4768.4","0.3","99.99","0.1","100.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H40 N10 Na2 O27 V4 -","- C24 H28 N10 Na2 O21 V4 -","- C96 H112 N40 Na8 O84 V16 -","4","0.5","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0787","0.0736","","","0.2013","0.2087","","","","","","1.042","","","","has coordinates","276501","2022-07-02","22:53:23",""
"7710672","21.034","0.0001","21.034","0.0001","21.034","0.0001","90","","90","","90","","9306.05","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C24 H88.5 Cl2 K2 N30 O59.5 V6 -","- C24 H40.5 Cl2 K1.9998 N30 O35.5 V6 -","- C96 H162 Cl8 K7.9992 N120 O142 V24 -","4","0.166667","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0545","0.0524","","","0.1577","0.1597","","","","","","1.069","","","","has coordinates","276501","2022-07-02","22:53:27",""
"7710673","17.5495","0.0001","17.5495","0.0001","15.9061","0.0001","90","","90","","90","","4898.84","0.05","100","0.1","100.15","","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C16 H124 N40 O70 S8 V8 -","- C16 H48 N40 O32 S8 V8 -","- C32 H96 N80 O64 S16 V16 -","2","0.25","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0487","0.0477","","","0.1279","0.1292","","","","","","1.039","","","","has coordinates","276501","2022-07-02","22:53:45",""
"7710674","13.3095","0.0014","11.5424","0.0012","12.4332","0.0013","90","","117.62","0.001","90","","1692.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N4 O12 Sb4 -","- C24 H48 N4 O12 Sb4 -","- C48 H96 N8 O24 Sb8 -","2","0.5","","Moaven, Shiva; Villanueva, Olivia; Unruh, Daniel K.; Cozzolino, Anthony Frank","The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes.","Dalton Transactions","2022","","","","","10.1039/D2DT01377K","","","0.71073","MoKα","","0.0203","0.0167","","","0.0386","0.0402","","","","","","1.03","","","","has coordinates","276549","2022-07-04","22:48:54",""
"7710675","12.661","0.003","13.388","0.004","13.591","0.006","118.198","0.006","107.187","0.006","101.12","0.004","1782","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 N3 O9 Sb3 -","- C27 H54 N3 O9 Sb3 -","- C54 H108 N6 O18 Sb6 -","2","1","","Moaven, Shiva; Villanueva, Olivia; Unruh, Daniel K.; Cozzolino, Anthony Frank","The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes.","Dalton Transactions","2022","","","","","10.1039/D2DT01377K","","","0.71073","MoKα","","0.0704","0.039","","","0.0602","0.0678","","","","","","0.967","","","","has coordinates","276549","2022-07-04","22:48:54",""
"7710676","34.4082","0.001","26.2769","0.0009","18.7449","0.0006","90","","122.183","0.001","90","","14344","0.8","273.15","","273.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H40 Fe3 N3 O20 S2 -","- C66 H40 Fe3 N3 O20 S2 -","- C264 H160 Fe12 N12 O80 S8 -","4","0.5","","Lu, Ting-ting; Fan, Ying-yi; Wang, Xiao-ning; Wang, Qiang; Li, Bao","Microporous chromium-organic framework fabricated via solvent-assisted metal metathesis for C2H2/CO2 Separation","Dalton Transactions","2022","","","","","10.1039/D2DT01546C","","","0.77488","SynchrotronradiationX-rays","","0.1021","0.0875","","","0.2841","0.297","","","","","","1.193","","","","has coordinates,has disorder","276550","2022-07-04","22:49:22",""
"7710677","26.4098","0.0018","9.3502","0.0006","29.2033","0.0019","90","","93.3411","0.001","90","","7199.1","0.8","223","2","222.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Br2 Mo S2 -","- C16 H19 Br2 Mo S2 -","- C256 H304 Br32 Mo16 S32 -","16","2","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.0307","0.0266","","","0.0597","0.0608","","","","","","1.187","","","","has coordinates","276578","2022-07-05","22:53:16",""
"7710678","13.1999","0.0011","10.4937","0.0009","19.7054","0.0016","90","","92.836","0.002","90","","2726.2","0.4","294","2","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Mo N2 Ru S2 -","- C26 H36 Mo N2 Ru S2 -","- C104 H144 Mo4 N8 Ru4 S8 -","4","1","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.101","0.05","","","0.082","0.0977","","","","","","1.034","","","","has coordinates","276578","2022-07-05","22:53:17",""
"7710679","28.2657","0.0016","8.3531","0.0005","27.0412","0.0016","90","","90","","90","","6384.6","0.6","230","2","230.01","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H34 Br2 F6 Mo P Ru S2 -","- C26 H34 Br2 F6 Mo P Ru S2 -","- C208 H272 Br16 F48 Mo8 P8 Ru8 S16 -","8","2","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.0463","0.0376","","","0.0932","0.0966","","","","","","1.03","","","","has coordinates","276578","2022-07-05","22:53:17",""
"7710680","8.897","0.0006","31.824","0.002","19.9124","0.0014","90","","93.4661","0.0012","90","","5627.6","0.7","180","2","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Br2 Mo Ru S2 -","- C26 H34 Br2 Mo Ru S2 -","- C208 H272 Br16 Mo8 Ru8 S16 -","8","2","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.0636","0.0561","","","0.1144","0.117","","","","","","1.261","","","","has coordinates","276578","2022-07-05","22:53:17",""
"7710681","14.8725","0.0014","16.2572","0.0016","22.557","0.002","90","","90","","90","","5453.9","0.9","297","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Mo N2 Ru S2 -","- C26 H38 Mo N2 Ru S2 -","- C208 H304 Mo8 N16 Ru8 S16 -","8","1","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.067","0.0399","","","0.0797","0.0927","","","","","","1.048","","","","has coordinates,has disorder","276578","2022-07-05","22:53:17",""
"7710682","8.3424","0.0004","12.3156","0.0008","13.4994","0.0009","100.6","0.005","95.298","0.005","105.175","0.005","1301.24","0.14","295.56","0.1","295.56","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H43 B O2 P2 Pt -","- C22 H43 B O2 P2 Pt -","- C44 H86 B2 O4 P4 Pt2 -","2","1","","Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian","Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01357F","","x-ray","0.71073","MoKα","","0.0867","0.0601","","","0.0856","0.0978","","","","","","1.047","","","","has coordinates","276579","2022-07-05","22:54:23",""
"7710683","12.0479","0.0001","14.5349","0.0002","32.1411","0.0003","90","","90","","90","","5628.39","0.1","169.99","0.1","169.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PBP-Pt-BH4","","- C24 H48 B2 N2 P2 Pt -","- C24 H48 B2 N2 P2 Pt -","- C192 H384 B16 N16 P16 Pt8 -","8","1","","Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian","Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01357F","","x-ray","1.54184","CuKα","","0.0364","0.0334","","","0.0786","0.0805","","","","","","1.098","","","","has coordinates","276579","2022-07-05","22:54:23",""
"7710684","11.6767","0.0001","14.5335","0.0001","32.1537","0.0003","90","","90","","90","","5456.59","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PBP-Ni-BH4","","- C24 H48 B2 N2 Ni P2 -","- C24 H48 B2 N2 Ni P2 -","- C192 H384 B16 N16 Ni8 P16 -","8","1","","Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian","Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01357F","","x-ray","1.54184","CuKα","","0.0357","0.0321","","","0.082","0.0839","","","","","","1.059","","","","has coordinates","276579","2022-07-05","22:54:23",""
"7710685","14.5779","0.0002","14.473","0.0002","8.7479","0.0001","90","","100.819","0.002","90","","1812.88","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cu0.5 N3 O4 -","- C16 H19 Cu0.5 N3 O4 -","- C64 H76 Cu2 N12 O16 -","4","1","","Khursheed, Salman; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water Soluble Transition metal [Ni(II), Cu(II) and Zn(II)] Complexes of N–Phthaloylglycinate bis(diaminocyclohexane). DNA Binding, pBR322 Cleavage and Cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D2DT01312F","","","0.71073","MoKα","","0.0564","0.0435","","","0.1262","0.1328","","","","","","1.109","","","","has coordinates,has disorder","276580","2022-07-05","22:55:11",""
"7710686","7.34116","0.00007","8.80306","0.00008","14.56151","0.00012","84.4454","0.0007","79.6175","0.0007","89.0041","0.0008","921.279","0.015","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N3 Ni0.5 O6 -","- C16 H24 N3 Ni0.5 O6 -","- C32 H48 N6 Ni O12 -","2","1","","Khursheed, Salman; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water Soluble Transition metal [Ni(II), Cu(II) and Zn(II)] Complexes of N–Phthaloylglycinate bis(diaminocyclohexane). DNA Binding, pBR322 Cleavage and Cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D2DT01312F","","","0.71073","MoKα","","0.0632","0.058","","","0.1576","0.163","","","","","","1.048","","","","has coordinates","276580","2022-07-05","22:55:12",""
"7710687","7.3421","0.0001","8.8561","0.0001","14.5788","0.0001","84.729","0.001","78.97","0.001","88.775","0.001","926.495","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N6 O12 Zn -","- C32 H46 N6 O12 Zn -","- C32 H46 N6 O12 Zn -","1","0.5","","Khursheed, Salman; Siddique, Hifzur R.; Tabassum, Sartaj; Arjmand, Farukh","Water Soluble Transition metal [Ni(II), Cu(II) and Zn(II)] Complexes of N–Phthaloylglycinate bis(diaminocyclohexane). DNA Binding, pBR322 Cleavage and Cytotoxicity","Dalton Transactions","2022","","","","","10.1039/D2DT01312F","","","0.71073","MoKα","","0.0537","0.0451","","","0.1197","0.1251","","","","","","1.066","","","","has coordinates","276580","2022-07-05","22:55:12",""
"7710688","9.5846","0.0011","10.9289","0.0012","12.3271","0.0014","96.266","0.002","104.325","0.002","106.238","0.002","1178.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Fe N3 O3 -","- C29 H23 Fe N3 O3 -","- C58 H46 Fe2 N6 O6 -","2","1","","Houshmand, Aryan; Heroux, Devon; Liu, Dennis; Zhou, Wen; Linington, Roger Gareth; Bally, Marcel; Warren, Jeffrey J.; Walsby, Charles John","Ferrocene-appended Anthraquinone and Coumarin as Redox-active Cytotoxins","Dalton Transactions","2022","","","","","10.1039/D2DT01251K","","","0.71073","MoKα","","0.0813","0.0486","","","0.0887","0.0977","","","","","","1.019","","","","has coordinates,has disorder","276581","2022-07-05","22:55:50",""
"7710689","5.7127","0.0006","29.914","0.003","12.0899","0.0014","90","","91.627","0.002","90","","2065.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Fe N3 O3 -","- C24 H21 Fe N3 O3 -","- C96 H84 Fe4 N12 O12 -","4","1","","Houshmand, Aryan; Heroux, Devon; Liu, Dennis; Zhou, Wen; Linington, Roger Gareth; Bally, Marcel; Warren, Jeffrey J.; Walsby, Charles John","Ferrocene-appended Anthraquinone and Coumarin as Redox-active Cytotoxins","Dalton Transactions","2022","","","","","10.1039/D2DT01251K","","","0.71073","MoKα","","0.0727","0.0478","","","0.1003","0.1078","","","","","","1.085","","","","has coordinates,has disorder","276581","2022-07-05","22:55:51",""
"7710690","9.9054","0.0003","7.1107","0.0002","10.2511","0.0004","90","","92.937","0.003","90","","721.08","0.04","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 N3 O S -","- C4 H11 N3 O S -","- C16 H44 N12 O4 S4 -","4","1","","Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael","Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution","Dalton Transactions","2022","","","","","10.1039/D2DT01264B","","x-ray","0.71073","MoKα","","0.0402","0.0325","","","0.0765","0.0816","","","","","","1.058","","","","has coordinates","276713","2022-07-06","22:58:52",""
"7710691","13.9584","0.0003","20.1197","0.0004","23.6121","0.0004","90","","90","","90","","6631.2","0.2","122.99","0.1","122.99","0.1","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C13 H28 Cl2 N2 O2 -","- C13 H28 Cl2 N2 O2 -","- C208 H448 Cl32 N32 O32 -","16","0.5","","Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael","Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution","Dalton Transactions","2022","","","","","10.1039/D2DT01264B","","x-ray","1.54184","CuKα","","0.0288","0.0282","","","0.08","0.0805","","","","","","1.058","","","","has coordinates","276713","2022-07-06","22:58:53",""
"7710692","13.9656","0.0004","15.2212","0.0004","16.5693","0.0004","97.556","0.002","111.701","0.002","110.673","0.002","2919.43","0.16","122.99","0.1","122.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H95 N17 O5 S4 -","- C41 H95 N17 O5 S4 -","- C82 H190 N34 O10 S8 -","2","1","","Kelderman, Cormac; Davey, Patrick; Ma, Michelle; de Veer, Michael; Salimova, Ekaterina; Donnelly, Paul Stephen; Paterson, Brett Michael","Hexadentate Technetium-99m Bis(thiosemicarbazonato) Complexes: Synthesis, Characterisation and Biodistribution","Dalton Transactions","2022","","","","","10.1039/D2DT01264B","","x-ray","0.71073","MoKα","","0.0627","0.0498","","","0.1268","0.1336","","","","","","1.057","","","","has coordinates,has disorder","276713","2022-07-06","22:58:53",""
"7710693","19.39366","0.00019","19.39366","","19.39366","","90","","90","","90","","7294.23","0.07","300","","300","","","","100","","","","","5","P 1","P 1","1","","","","- C48 H104 N32 O272 Si136 -","- C48 H104 N32 O272 Si136 -","- C48 H104 N32 O272 Si136 -","1","1","","Fu, Guangying; Dib, Eddy; Lang, Qiaolin; Zhao, Haonuan; Wang, Songxia; Ding, Ruiqin; Yang, Xiaobo; Valtchev, Valentin","Acidic medium synthesis of zeolites – an avenue to control the structure-directing power of the organic template","Dalton Transactions","2022","","","","","10.1039/D2DT01554D","powder diffraction","x-ray","1.54051","Kα~1,2~","","","","","","0.06862","","0","","0.809","","","","","","","has coordinates","276714","2022-07-06","22:59:32",""
"7710694","10.1122","0.0002","11.0132","0.0002","16.9563","0.0004","81.262","0.001","79.356","0.002","65.049","0.001","1676.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl2 Co N4 -","- C40 H32 Cl2 Co N4 -","- C80 H64 Cl4 Co2 N8 -","2","1","","Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão","Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01440H","","","1.54178","CuKα","","0.0644","0.042","","","0.0988","0.1087","","","","","","1.008","","","","has coordinates","276825","2022-07-22","23:58:38",""
"7710695","15.6162","0.001","11.2424","0.0007","19.1016","0.0016","90","","112.182","0.002","90","","3105.3","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 Co N4 S4 -","- C32 H24 Cl2 Co N4 S4 -","- C128 H96 Cl8 Co4 N16 S16 -","4","0.5","","Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão","Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01440H","","","0.71073","MoKα","","0.0722","0.0627","","","0.1889","0.1997","","","","","","1.07","","","","has coordinates,has disorder","276825","2022-07-22","23:58:39",""
"7710696","46.6731","0.0011","11.7655","0.0003","14.8882","0.0004","90","","100.07","0.002","90","","8049.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Cl2 Co N4 O4 -","- C44 H40 Cl2 Co N4 O4 -","- C352 H320 Cl16 Co8 N32 O32 -","8","1","","Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão","Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01440H","","","1.54178","CuKα","","0.1922","0.0959","","","0.2557","0.3177","","","","","","1.031","","","","has coordinates","276825","2022-07-22","23:58:39",""
"7710697","18.8282","0.0008","9.5569","0.0004","42.2102","0.0013","90","","90","","90","","7595.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 Cl6 Co N4 -","- C40 H28 Cl6 Co N4 -","- C320 H224 Cl48 Co8 N32 -","8","1","","Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão","Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01440H","","","1.54178","CuKα","","0.1224","0.062","","","0.1436","0.1721","","","","","","1.018","","","","has coordinates","276825","2022-07-22","23:58:39",""
"7710698","23.427","0.002","7.671","0.0005","21.6488","0.0018","90","","104.203","0.009","90","","3771.6","0.5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Fe N O3 -","- C22 H15 Fe N O3 -","- C176 H120 Fe8 N8 O24 -","8","1","","Luo, Jiabin; Cui, Chuanguo; Xiao, Zhiyin; Zhong, Wei; Lu, Chunxin; Jiang, Xiujuan; Li, Xueming; Liu, Xiaoming","Iron(0) tricarbonyl η<sup>4</sup>-1-azadiene complexes and their catalytic performance in the hydroboration of ketones, aldehydes and aldimines <i>via</i> a non-iron hydride pathway.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01673g","","x-ray","0.71073","MoKα","","0.081","0.047","","","0.1165","0.1346","","","","","","1.026","","","","has coordinates","276826","2022-07-22","23:59:16",""
"7710699","11.0482","0.001","11.3702","0.0009","22.3373","0.0015","89.823","0.002","81.86","0.002","82.276","0.002","2752.2","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 Cl3 Dy O9 P3 -","- C57 H63 Cl3 Dy O9 P3 -","- C114 H126 Cl6 Dy2 O18 P6 -","2","1","","Ma, XiuFang; Guo, Ying; Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Zhang, Yi-Quan; Zheng, Li-Min","Polymorphism modulates photoluminescence and magnetic dynamics of mononuclear dysprosium-anthracene complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01710E","","","0.71073","MoKα","","0.0452","0.037","","","0.0866","0.0924","","","","","","1.03","","","","has coordinates,has disorder","276828","2022-07-22","23:59:50",""
"7710700","10.6882","0.0006","11.8707","0.0007","22.7847","0.0015","79.887","0.002","86.071","0.002","81.983","0.002","2815.2","0.3","193","2","193.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 Cl3 Dy O9 P3 -","- C57 H63 Cl3 Dy O9 P3 -","- C114 H126 Cl6 Dy2 O18 P6 -","2","1","","Ma, XiuFang; Guo, Ying; Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Zhang, Yi-Quan; Zheng, Li-Min","Polymorphism modulates photoluminescence and magnetic dynamics of mononuclear dysprosium-anthracene complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01710E","","","0.71073","MoKα","","0.049","0.0449","","","0.1111","0.1148","","","","","","1.046","","","","has coordinates,has disorder","276828","2022-07-22","23:59:51",""
"7710701","10.876","0.004","12.003","0.005","23.079","0.009","80.018","0.006","85.631","0.007","80.695","0.006","2925","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 Br3 Dy O9 P3 -","- C57 H63 Br3 Dy O9 P3 -","- C114 H126 Br6 Dy2 O18 P6 -","2","1","","Ma, XiuFang; Guo, Ying; Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Zhang, Yi-Quan; Zheng, Li-Min","Polymorphism modulates photoluminescence and magnetic dynamics of mononuclear dysprosium-anthracene complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01710E","","","0.71073","MoKα","","0.076","0.0441","","","0.111","0.1251","","","","","","1.065","","","","has coordinates,has disorder","276828","2022-07-22","23:59:51",""
"7710702","22.336","0.002","19.6856","0.0018","23.872","0.004","90","","90.432","0.0012","90","","10496","2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C108 H140 N6 O12 Zn3 -","- C108 H140 N6 O12 Zn3 -","- C432 H560 N24 O48 Zn12 -","4","0.5","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.71073","MoKα","","0.0814","0.0532","","","0.1309","0.1462","","","","","","1.023","","","","has coordinates,has disorder","276829","2022-07-23","00:02:03",""
"7710703","15.8101","0.0006","22.6338","0.0009","34.2001","0.0014","90","","103.265","0.0005","90","","11911.7","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H174 N8 O10 Zn3 -","- C124 H174 N8 O10 Zn3 -","- C496 H696 N32 O40 Zn12 -","4","0.5","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.6942","synchrotron","","0.0682","0.0483","","","0.1228","0.1343","","","","","","1.032","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710704","18.65096","0.00009","23.45772","0.00011","25.30949","0.00011","90","","105.081","0.0011","90","","10691.8","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H144.5 N7.5 O12 Zn3 -","- C100 H128 N2 O12 Zn3 -","- C400 H512 N8 O48 Zn12 -","4","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","1.54178","CuKα","","0.0443","0.0408","","","0.1146","0.1176","","","","","","1.033","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710705","19.6259","0.0002","11.52628","0.00009","23.5831","0.0003","90","","110.106","0.0013","90","","5009.71","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H79 N O4 -","- C56 H79 N O4 -","- C224 H316 N4 O16 -","4","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","1.54178","CuKα","","0.0583","0.0521","","","0.1425","0.1471","","","","","","1.019","","","","has coordinates","276829","2022-07-23","00:02:04",""
"7710706","11.5697","0.0002","17.756","0.0006","24.6362","0.0003","94.3452","0.0019","90.0311","0.0013","99.536","0.002","4976.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H79 N O4 -","- C56 H79 N O4 -","- C224 H316 N4 O16 -","4","2","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","1.54178","CuKα","","0.156","0.1265","","","0.3162","0.3437","","","","","","1.039","","","","has coordinates","276829","2022-07-23","00:02:04",""
"7710707","18.5416","0.0002","23.5115","0.0003","25.1","0.0003","91.732","0.0011","90.6899","0.001","93.3356","0.001","10917.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H153 N5 O12 Zn3 -","- C114 H153 N5 O12 Zn3 -","- C456 H612 N20 O48 Zn12 -","4","2","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","1.54178","CuKα","","0.1998","0.1717","","","0.4623","0.492","","","","","","1.079","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710708","12.37","0.0015","22.934","0.003","18.132","0.002","90","","106.849","0.002","90","","4923.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H137 N4 O10 Zn3 -","- C104 H137 N4 O10 Zn3 -","- C208 H274 N8 O20 Zn6 -","2","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.71073","MoKα","","0.0697","0.0489","","","0.1082","0.1183","","","","","","0.997","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710709","14.8407","0.0003","18.8517","0.0003","25.1416","0.0004","70.65","0.0015","79.6723","0.0014","67.7528","0.0016","6130.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H147 F15 N6 O11 Zn6 -","- C128 H147 F15 N6 O11 Zn6 -","- C256 H294 F30 N12 O22 Zn12 -","2","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.71073","MoKα","","0.0939","0.0517","","","0.1101","0.1267","","","","","","1.029","","","","has coordinates","276829","2022-07-23","00:02:04",""
"7710710","13.71849","0.00016","17.62314","0.00017","25.3027","0.0003","70.0705","0.001","84.4086","0.001","81.2304","0.0009","5676.87","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H171.5 N4.5 O10 Zn3 -","- C121 H171.5 N4.5 O10 Zn3 -","- C242 H343 N9 O20 Zn6 -","2","1","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","1.54178","CuKα","","0.0812","0.075","","","0.2201","0.2261","","","","","","1.063","","","","has coordinates,has disorder","276829","2022-07-23","00:02:04",""
"7710711","10.3911","0.0004","17.2576","0.0007","19.1393","0.0007","108.185","0.003","100.971","0.003","107.234","0.003","2959.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H54 Cd3 N3 O21 -","- C65 H54 Cd3 N3 O21 -","- C130 H108 Cd6 N6 O42 -","2","1","","Wang, Huarui; Tian, Xu-Ke; Zhang, Ji-Rui; Wen, Meng-Yao; Yang, Xiao-Gang","Acridine based metal-organic framework host-guest featuring efficient photoelectrochemical-type photodetector and white LED","Dalton Transactions","2022","","","","","10.1039/D2DT01649D","","x-ray","0.71073","MoKα","","0.0568","0.0467","","","0.1096","0.1142","","","","","","1.195","","","","has coordinates","276830","2022-07-23","00:03:20",""
"7710712","8.0657","0.0007","8.5631","0.0007","14.3996","0.0012","78.253","0.003","84.796","0.003","86.95","0.003","969.08","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl4 N2 O2 Rh S -","- C16 H15 Cl4 N2 O2 Rh S -","- C32 H30 Cl8 N4 O4 Rh2 S2 -","2","1","","Wang, Zhen-Feng; Nai, Xiao-Ling; Xu, Yue; Pan, Feng-Hua; Tang, Fu-Shun; Qin, Qi-Pin; Yang, Lin; Zhang, Shu-Hua","Cell nucleus localization and high anticancer activity of quinoline-benzopyran rhodium(III) metal complexes as therapeutic and fluorescence imaging agents.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01929a","","","0.71073","MoKα","","0.0625","0.0349","","","0.0752","0.0821","","","","","","1.07","","","","has coordinates","276831","2022-07-23","00:04:09",""
"7710713","7.9322","0.0006","10.4973","0.0009","14.0483","0.0009","103.361","0.006","103.588","0.006","100.597","0.007","1070.58","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Br Cl3 N2 O4 Rh -","- C18 H17 Br Cl3 N2 O4 Rh -","- C36 H34 Br2 Cl6 N4 O8 Rh2 -","2","1","","Wang, Zhen-Feng; Nai, Xiao-Ling; Xu, Yue; Pan, Feng-Hua; Tang, Fu-Shun; Qin, Qi-Pin; Yang, Lin; Zhang, Shu-Hua","Cell nucleus localization and high anticancer activity of quinoline-benzopyran rhodium(III) metal complexes as therapeutic and fluorescence imaging agents.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01929a","","","0.71073","MoKα","","0.075","0.0508","","","0.0924","0.1054","","","","","","0.993","","","","has coordinates","276831","2022-07-23","00:04:10",""
"7710714","8.3861","0.0003","11.4423","0.0004","13.9193","0.0005","78.158","0.001","88.814","0.001","80.093","0.001","1287.58","0.08","298","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl3 N2 O2 Rh S -","- C24 H26 Cl3 N2 O2 Rh S -","- C48 H52 Cl6 N4 O4 Rh2 S2 -","2","1","","Wang, Zhen-Feng; Nai, Xiao-Ling; Xu, Yue; Pan, Feng-Hua; Tang, Fu-Shun; Qin, Qi-Pin; Yang, Lin; Zhang, Shu-Hua","Cell nucleus localization and high anticancer activity of quinoline-benzopyran rhodium(III) metal complexes as therapeutic and fluorescence imaging agents.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01929a","","","0.71073","MoKα","","0.0345","0.0242","","","0.0549","0.0584","","","","","","1.007","","","","has coordinates","276831","2022-07-23","00:04:10",""
"7710715","11.8588","0.0008","13.4613","0.0012","15.8363","0.0008","80.727","0.006","87.74","0.005","80.679","0.006","2461.8","0.3","298","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Cl3 N O4 Rh S -","- C22 H25 Cl3 N O4 Rh S -","- C88 H100 Cl12 N4 O16 Rh4 S4 -","4","2","","Wang, Zhen-Feng; Nai, Xiao-Ling; Xu, Yue; Pan, Feng-Hua; Tang, Fu-Shun; Qin, Qi-Pin; Yang, Lin; Zhang, Shu-Hua","Cell nucleus localization and high anticancer activity of quinoline-benzopyran rhodium(III) metal complexes as therapeutic and fluorescence imaging agents.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01929a","","","0.71073","MoKα","","0.0805","0.0502","","","0.1146","0.1396","","","","","","1.005","","","","has coordinates","276831","2022-07-23","00:04:10",""
"7710716","20.753","0.003","16.409","0.003","16.565","0.003","90","","108.847","0.002","90","","5338.5","1.6","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H16 Br3.534 Cl0.466 Co N1.25 O6.5 -","- C25 H10 Br3.533 Cl0.467 Co N1.25 O5 -","- C200 H80 Br28.264 Cl3.736 Co8 N10 O40 -","8","1","","Li, Han-Shu; Gong, Yuxuan; Ji, Chen; Wu, Pengyan; Gao, Bingzhuo; Du, Yufan; Wang, Jian","Selective detection of sulfasalazine antibiotic and its controllable photodegradation into 5-aminosalicylic acid by visible-light-responsive metal–organic framework","Dalton Transactions","2022","","","","","10.1039/D2DT01270G","","","0.71073","MoKα","","0.1155","0.0671","","","0.1678","0.1943","","","","","","1.0275","","","","has coordinates,has disorder","276832","2022-07-23","00:04:58",""
"7710717","11.301","0.0002","12.4404","0.0002","22.2903","0.0002","98.824","0.001","93.941","0.001","114.952","0.001","2776.32","0.08","100","8","105","8","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl3 O4 P4 Sm -","- C60 H48 Cl3 O4 P4 Sm -","- C120 H96 Cl6 O8 P8 Sm2 -","2","1","","Leng, Ji-Dong; Hua, Qiu-Yan; Liu, Wen-Ting; Tao, Ze-Xian; Tan, Nai-Wen; Wang, Yu-Fei; Lin, Wei-Quan","Slow magnetic relaxation of mononuclear complexes based on uncommon Kramers lanthanide ions CeIII, SmIII and YbIII","Dalton Transactions","2022","","","","","10.1039/D2DT00766E","","x-ray","1.54184","CuKα","","0.0312","0.0303","","","0.0772","0.0777","","","","","","1.058","","","","has coordinates","276833","2022-07-23","00:05:42",""
"7710718","11.3216","0.0001","12.4712","0.0002","22.4085","0.0002","98.446","0.001","94.308","0.001","114.766","0.001","2808.71","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Ce Cl3 O4 P4 -","- C60 H48 Ce Cl3 O4 P4 -","- C120 H96 Ce2 Cl6 O8 P8 -","2","1","","Leng, Ji-Dong; Hua, Qiu-Yan; Liu, Wen-Ting; Tao, Ze-Xian; Tan, Nai-Wen; Wang, Yu-Fei; Lin, Wei-Quan","Slow magnetic relaxation of mononuclear complexes based on uncommon Kramers lanthanide ions CeIII, SmIII and YbIII","Dalton Transactions","2022","","","","","10.1039/D2DT00766E","","x-ray","1.54184","CuKα","","0.0401","0.038","","","0.0961","0.0973","","","","","","1.07","","","","has coordinates","276833","2022-07-23","00:05:43",""
"7710719","13.50187","0.00005","14.30058","0.00005","15.59805","0.00006","91.4607","0.0003","101.822","0.0003","95.161","0.0003","2932.93","0.019","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Cl3 O7 P4 Yb -","- C64 H60 Cl3 O7 P4 Yb -","- C128 H120 Cl6 O14 P8 Yb2 -","2","1","","Leng, Ji-Dong; Hua, Qiu-Yan; Liu, Wen-Ting; Tao, Ze-Xian; Tan, Nai-Wen; Wang, Yu-Fei; Lin, Wei-Quan","Slow magnetic relaxation of mononuclear complexes based on uncommon Kramers lanthanide ions CeIII, SmIII and YbIII","Dalton Transactions","2022","","","","","10.1039/D2DT00766E","","x-ray","1.54184","CuKα","","0.0367","0.0363","","","0.0984","0.0987","","","","","","1.067","","","","has coordinates,has disorder","276833","2022-07-23","00:05:43",""
"7710720","16.056","0.0015","19.139","0.0018","18.0435","0.0017","90","","102.123","0.005","90","","5421","0.9","295.21","","295.21","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CUST-711","","- C35 H67 Cu N14 O29 S -","- C35 H46 Cu N14 O19 S -","- C140 H184 Cu4 N56 O76 S4 -","4","1","","Li, Ying; Xu, Yan-Jun; Fan, Ming-Yue; Feng, Zhen-Jie; Li, Jun-Jun; Wu, Xue-Song; Sun, Jing; Wang, Xinlong; Su, Zhong-Min","Three layered cucurbit[6]uril-based metal-organic rotaxane networks functionalized by sulfonic groups for proton conduction","Dalton Transactions","2022","","","","","10.1039/D2DT01283A","","","1.54178","CuKα","","0.0652","0.0482","","","0.1276","0.1377","","","","","","1.038","","","","has coordinates","276834","2022-07-23","00:06:47",""
"7710721","15.5994","0.0018","16.5057","0.0019","17.149","0.002","90","","109.559","0.002","90","","4160.7","0.8","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CUST-712","","- C35 H47 Cu N14 O19 S -","- C35 H47 Cu N14 O19 S -","- C140 H188 Cu4 N56 O76 S4 -","4","1","","Li, Ying; Xu, Yan-Jun; Fan, Ming-Yue; Feng, Zhen-Jie; Li, Jun-Jun; Wu, Xue-Song; Sun, Jing; Wang, Xinlong; Su, Zhong-Min","Three layered cucurbit[6]uril-based metal-organic rotaxane networks functionalized by sulfonic groups for proton conduction","Dalton Transactions","2022","","","","","10.1039/D2DT01283A","","","0.71073","MoKα","","0.0687","0.0449","","","0.1101","0.1243","","","","","","1.04","","","","has coordinates,has disorder","276834","2022-07-23","00:06:48",""
"7710722","14.8654","0.0005","15.1748","0.0005","20.4442","0.0007","90","","108.31","0.002","90","","4378.3","0.3","297.2","","297.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CUST-713","","- C34 H47 Cu N14 O20 S -","- C34 H35 Cu N14 O14 S -","- C136 H140 Cu4 N56 O56 S4 -","4","1","","Li, Ying; Xu, Yan-Jun; Fan, Ming-Yue; Feng, Zhen-Jie; Li, Jun-Jun; Wu, Xue-Song; Sun, Jing; Wang, Xinlong; Su, Zhong-Min","Three layered cucurbit[6]uril-based metal-organic rotaxane networks functionalized by sulfonic groups for proton conduction","Dalton Transactions","2022","","","","","10.1039/D2DT01283A","","","1.54178","CuKα","","0.0691","0.0505","","","0.1304","0.1405","","","","","","1.04","","","","has coordinates","276834","2022-07-23","00:06:48",""
"7710723","6.2958","0.0003","8.4859","0.0004","13.1114","0.0006","90","","90","","90","","700.48","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-methyl-2,5-diaminotetrazolium azide","4-methyl-2,5-diaminotetrazolium azide","","- C2 H7 N9 -","- C2 H7 N9 -","- C8 H28 N36 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","","0.71073","MoKα","","0.0885","0.0831","","","0.2027","0.2093","","","","","","1.1","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710724","6.2609","0.0007","11.5021","0.0013","9.3564","0.0012","90","","105.817","0.012","90","","648.28","0.14","101","","101","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-triaminotetrazolium_bromide","1,3,5-triaminotetrazolium_bromide","","- C H6 Br N7 -","- C H6 Br N7 -","- C4 H24 Br4 N28 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.0559","0.0377","","","0.0833","0.089","","","","","","1.035","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710725","10.8782","0.001","10.6236","0.0008","11.546","0.0011","90","","113.414","0.011","90","","1224.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5-diaminotetrazolium nitrate","2,5-diaminotetrazolium nitrate","","- C H5 N7 O3 -","- C H5 N7 O3 -","- C8 H40 N56 O24 -","8","2","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.0517","0.0398","","","0.1042","0.1157","","","","","","1.032","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710726","5.2519","0.001","6.5141","0.0009","6.8045","0.001","105.732","0.012","107.197","0.015","99.007","0.014","206.84","0.07","173","","173","","","","","","","","","3","P -1","-P 1","2","2,5-diaminotetrazole","2,5-diaminotetrazole","","- C H4 N6 -","- C H4 N6 -","- C2 H8 N12 -","2","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","","0.71073","MoKα","","0.049","0.0417","","","0.1082","0.1143","","","","","","1.074","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710727","7.6448","0.0005","8.8744","0.0007","10.6105","0.0007","90","","103.315","0.007","90","","700.5","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-diamino-4-methyltetrazolium nitrate","2,5-diamino-4-methyltetrazolium nitrate","","- C2 H7 N7 O3 -","- C2 H7 N7 O3 -","- C8 H28 N28 O12 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.0512","0.0424","","","0.1091","0.1156","","","","","","1.12","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710728","7.076","0.0003","11.2519","0.0005","9.718","0.0004","90","","102.229","0.004","90","","756.18","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-2,5-aminotetrazolium iodide","4-Methyl-2,5-aminotetrazolium iodide","","- C2 H7 I N6 -","- C2 H7 I N6 -","- C8 H28 I4 N24 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71069","MoKα","","0.026","0.0209","","","0.0482","0.0507","","","","","","1.042","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710729","7.1662","0.0004","7.1311","0.0004","13.713","0.0007","90","","93.776","0.005","90","","699.25","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-diaminotetrazolium perchlorate","2,5-diaminotetrazolium perchlorate","","- C H5 Cl N6 O4 -","- C H5 Cl N6 O4 -","- C4 H20 Cl4 N24 O16 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71069","MoKα","","0.0414","0.0333","","","0.0818","0.087","","","","","","1.059","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710730","5.412","0.0005","13.2511","0.001","10.9977","0.0008","90","","97.321","0.007","90","","782.27","0.11","101","","101","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,5-diamino-4-methyltetrazolium perchlorate","2,5-diamino-4-methyltetrazolium perchlorate","","- C2 H7 Cl N6 O4 -","- C2 H7 Cl N6 O4 -","- C8 H28 Cl4 N24 O16 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.0537","0.0378","","","0.091","0.1011","","","","","","1.05","","","","has coordinates","276835","2022-07-23","00:08:45",""
"7710731","9.3104","0.0005","13.9097","0.0009","9.8692","0.0006","90","","91.84","0.005","90","","1277.45","0.13","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3,5-triaminotetrazolium tosylate","1,3,5-triaminotetrazolium tosylate","","- C8 H13 N7 O3 S -","- C8 H13 N7 O3 S -","- C32 H52 N28 O12 S4 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.0432","0.0352","","","0.0903","0.0968","","","","","","1.054","","","","has coordinates","276835","2022-07-23","00:08:45",""
"7710732","10.5454","0.0012","5.1159","0.0006","14.5922","0.0017","90","","106.757","0.01","90","","753.81","0.16","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","di(1,3,5-triaminotetrazolium) 5,5-bistetrazole-1N-dioxide","di(1,3,5-triaminotetrazolium) 5,5-bistetrazole-1N-dioxide","","- C4 H12 N22 O2 -","- C4 H12 N22 O2 -","- C8 H24 N44 O4 -","2","0.5","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","x-ray","0.71073","MoKα","","0.1184","0.0603","","","0.0951","0.1181","","","","","","1.028","","","","has coordinates","276835","2022-07-23","00:08:45",""
"7710733","16.1891","0.0002","13.1418","0.0002","16.9923","0.0003","90","","90","","90","","3615.18","0.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Si2 Ti -","- C30 H61 O2 P2 Si2 Ti -","- C120 H244 O8 P8 Si8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","1.54184","CuKα","","0.0266","0.0259","","","0.0698","0.0703","","","","","","0.875","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710734","16.7335","0.0007","13.2393","0.0006","16.9263","0.0008","90","","97.212","0.004","90","","3720.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H65 P2 Sc Si2 -","- C32 H65 P2 Sc Si2 -","- C128 H260 P8 Sc4 Si8 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0574","0.0394","","","0.0936","0.1014","","","","","","1.027","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710735","10.674","0.0006","16.1874","0.0009","15.2797","0.001","90","","91.08","0.006","90","","2639.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Cl2 O2 P2 Ti -","- C22 H39 Cl2 O2 P2 Ti -","- C88 H156 Cl8 O8 P8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.1374","0.0726","","","0.1369","0.1798","","","","","","1.014","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710736","16.1352","0.0002","13.17667","0.00018","17.27","0.0003","90","","90","","90","","3671.74","0.09","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H57 P2 Si2 Ti -","- C32 H57 P2 Si2 Ti -","- C128 H228 P8 Si8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","x-ray","1.54184","CuKα","","0.0468","0.046","","","0.1249","0.1257","","","","","","1.067","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710737","12.147","0.0007","15.881","0.0007","14.4631","0.0011","90","","105.389","0.007","90","","2690","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 Cl2 P2 Ti -","- C24 H43 Cl2 P2 Ti -","- C96 H172 Cl8 P8 Ti4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0846","0.0565","","","0.1369","0.1703","","","","","","1.045","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710738","16.3488","0.0009","13.2688","0.0008","16.9093","0.001","90","","90","","90","","3668.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Sc Si2 -","- C30 H61 O2 P2 Sc Si2 -","- C120 H244 O8 P8 Sc4 Si8 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0538","0.043","","","0.0946","0.1014","","","","","","1.023","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710739","10.6403","0.0004","16.2799","0.0008","15.1343","0.0008","90","","90.332","0.004","90","","2621.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Cl2 O2 P2 V -","- C22 H39 Cl2 O2 P2 V -","- C88 H156 Cl8 O8 P8 V4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0682","0.0523","","","0.1169","0.1285","","","","","","1.062","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710740","16.1044","0.0004","13.175","0.0003","16.9968","0.0006","90","","90","","90","","3606.3","0.18","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H61 O2 P2 Si2 V -","- C30 H61 O2 P2 Si2 V -","- C120 H244 O8 P8 Si8 V4 -","4","1","","Zhang, Jiayu; Huang, Wenshuang; Han, Kailing; Song, Guoyong; Hu, Shaowei","Scandium, Titanium and Vanadium Complexes Supported by PCP-type Pincer Ligands: Synthesis, Structure, and Styrene Polymerization Activity","Dalton Transactions","2022","","","","","10.1039/D2DT01389D","","","0.71073","MoKα","","0.0482","0.0384","","","0.0866","0.0929","","","","","","0.981","","","","has coordinates","276836","2022-07-23","00:11:03",""
"7710741","14.9237","0.0006","17.5343","0.0007","15.725","0.0006","90","","101.063","0.001","90","","4038.4","0.3","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H108 Cl2 N O29 P Pd -","- C64 H108 Cl2 N O29 P Pd -","- C128 H216 Cl4 N2 O58 P2 Pd2 -","2","1","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.081","0.0478","","","0.0893","0.0978","","","","","","0.955","","","","has coordinates","276837","2022-07-23","00:13:02",""
"7710742","7.276","0.0003","8.6431","0.0003","13.5955","0.0005","83.197","0.001","84.014","0.001","71.177","0.001","801.57","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H20 Br2 N Ni P -","- C12 H20 Br2 N Ni P -","- C24 H40 Br4 N2 Ni2 P2 -","2","2","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0203","0.0182","","","0.0362","0.0376","","","","","","1.077","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7710743","13.1872","0.0004","11.4097","0.0003","38.4881","0.0011","90","","90","","90","","5791","0.3","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H44 Cl2 N2 O2 P2 Pd -","- C24 H44 Cl2 N2 O2 P2 Pd -","- C192 H352 Cl16 N16 O16 P16 Pd8 -","8","2","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0464","0.035","","","0.0719","0.0783","","","","","","1.069","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7710744","17.0385","0.0007","8.89","0.0003","32.4365","0.0014","90","","92.933","0.002","90","","4906.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl8 N P Pd -","- C14 H22 Cl8 N P Pd -","- C112 H176 Cl64 N8 P8 Pd8 -","8","2","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0712","0.0423","","","0.0784","0.092","","","","","","1.06","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7710745","38.308","0.002","14.1787","0.0008","15.486","0.0009","90","","93.007","0.002","90","","8399.8","0.8","120","2","120","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H106 Au Cl N O28 P -","- C66 H106 Au Cl N O28 P -","- C264 H424 Au4 Cl4 N4 O112 P4 -","4","1","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","1.54178","CuKα","","0.043","0.042","","","0.1002","0.1012","","","","","","1.149","","","","has coordinates","276837","2022-07-23","00:13:03",""
"7710746","17.8671","0.0006","17.8671","0.0006","53.805","0.002","90","","90","","90","","17176.3","1","120","2","120","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C155 H242 Br4 N2 Ni2 O56 P2 -","- C155 H242 Br4 N2 Ni2 O56 P2 -","- C620 H968 Br16 N8 Ni8 O224 P8 -","4","0.5","","Li, Yang; Pelzer, Katrin; Sechet, Damien; Creste, Geordie; Matt, Dominique; Braunstein, Pierre; Armspach, Dominique","A cavity-shaped <i>cis</i>-chelating P,N ligand for highly selective nickel-catalysed ethylene dimerisation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01553f","","","0.71073","MoKα","","0.0741","0.0515","","","0.1343","0.1474","","","","","","1.04","","","","has coordinates,has disorder","276837","2022-07-23","00:13:03",""
"7710747","11.3182","0.0004","18.1653","0.0011","19.1481","0.0009","90","","90","","90","","3936.8","0.3","190","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O4 -","- C22 H16 Cu N4 O4 -","- C88 H64 Cu4 N16 O16 -","4","1","","Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie","Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers","Dalton Transactions","2022","","","","","10.1039/D2DT01982E","","","0.71073","MoKα","","0.0549","0.0474","","","0.1236","0.1264","","","","","","1.055","","","","has coordinates","276838","2022-07-23","00:13:58",""
"7710748","19.0772","0.0006","32.4115","0.001","19.4415","0.0015","90","","100.577","0.004","90","","11816.8","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H48 Cu3 N12 O12 -","- C66 H48 Cu3 N12 O12 -","- C264 H192 Cu12 N48 O48 -","4","0.5","","Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie","Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers","Dalton Transactions","2022","","","","","10.1039/D2DT01982E","","","0.71073","MoKα","","0.0858","0.0602","","","0.2026","0.2124","","","","","","1.035","","","","has coordinates","276838","2022-07-23","00:13:58",""
"7710749","9.9386","0.0009","10.304","0.0007","11.3175","0.001","90","","114.517","0.01","90","","1054.5","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-tetra(2-thiopyridyl)ethane","","- C22 H16 N4 S4 -","- C22 H16 N4 S4 -","- C44 H32 N8 S8 -","2","0.5","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","0.71073","MoKα","","0.13","0.0661","","","0.1138","0.138","","","","","","1.083","","","","has coordinates","276839","2022-07-23","00:15:32",""
"7710750","13.12561","0.00018","9.98641","0.00013","13.71565","0.00017","90","","94.6324","0.0012","90","","1791.94","0.04","100.03","0.11","100.03","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Magnesium bis(2-thiopyridyl)methylmethanide trimethylsiloxide","","- C30 H40 Mg2 N4 O2 S4 Si2 -","- C30 H40 Mg2 N4 O2 S4 Si2 -","- C60 H80 Mg4 N8 O4 S8 Si4 -","2","0.5","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","1.54184","CuKα","","0.0334","0.0309","","","0.0811","0.0825","","","","","","1.057","","","","has coordinates","276839","2022-07-23","00:15:33",""
"7710751","9.69497","0.00018","16.4661","0.0003","13.4773","0.0002","90","","108.214","0.0019","90","","2043.69","0.07","100.02","0.14","100.02","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Magnesium bis(2-thiopyridyl)methanide tetraphenyldiphosphine","","- C46 H38 Mg N4 P2 S4 -","- C46 H38 Mg N4 P2 S4 -","- C92 H76 Mg2 N8 P4 S8 -","2","0.5","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","1.54184","CuKα","","0.0359","0.033","","","0.0837","0.0852","","","","","","1.042","","","","has coordinates","276839","2022-07-23","00:15:33",""
"7710752","19.1597","0.0006","15.3351","0.0005","18.2805","0.0006","90","","94.556","0.003","90","","5354.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Magnesium tris(2-thiopyridyl)methanide bis(trimethylsilyl)amide","","- C22 H30 Mg N4 S3 Si2 -","- C22 H30 Mg N4 S3 Si2 -","- C176 H240 Mg8 N32 S24 Si16 -","8","2","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","0.71073","MoKα","","0.0958","0.0671","","","0.1225","0.1338","","","","","","1.124","","","","has coordinates","276839","2022-07-23","00:15:33",""
"7710753","32.09","0.002","14.1367","0.0011","10.1458","0.0008","90","","90","","90","","4602.6","0.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H28 Ca N2 O4 S2 -","- C18 H28 Ca N2 O4 S2 -","- C144 H224 Ca8 N16 O32 S16 -","8","0.5","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","0.71073","MoKα","","0.1401","0.0692","","","0.1177","0.1507","","","","","","1.058","","","","has coordinates","276839","2022-07-23","00:15:33",""
"7710754","10.2504","0.0006","9.4776","0.0004","17.566","0.001","90","","106.269","0.006","90","","1638.19","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 S3 -","- C16 H13 N3 S3 -","- C64 H52 N12 S12 -","4","1","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","x-ray","0.71073","MoKα","","0.0501","0.0401","","","0.0925","0.0992","","","","","","1.066","","","","has coordinates","276839","2022-07-23","00:15:34",""
"7710755","9.627","0.0003","12.5306","0.0005","14.0589","0.0005","90","","102.135","0.002","90","","1658.06","0.1","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Magnesium bis(2-thiopyridide) DME adduct","","- C14 H18 Mg N2 O2 S2 -","- C14 H18 Mg N2 O2 S2 -","- C56 H72 Mg4 N8 O8 S8 -","4","1","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","","1.54178","CuKα","","0.0432","0.0365","","","0.0916","0.0958","","","","","","1.032","","","","has coordinates","276839","2022-07-23","00:15:34",""
"7710756","12.1983","0.0006","12.2683","0.0008","14.8689","0.001","87.806","0.005","76.581","0.005","79.929","0.005","2131.1","0.2","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Mg2 N6 S6 -","- C40 H42 Mg2 N6 S6 -","- C80 H84 Mg4 N12 S12 -","2","1","","Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio","Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02012B","","","0.71073","MoKα","","0.1297","0.0749","","","0.111","0.1323","","","","","","1.06","","","","has coordinates","276839","2022-07-23","00:15:34",""
"7710757","14.315","0.003","11.378","0.003","15.49","0.003","90","","116.704","0.006","90","","2253.9","0.9","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N6 S3 Sb -","- C18 H22 N6 S3 Sb -","- C72 H88 N24 S12 Sb4 -","4","1","","Thomas, Agnes; Karmakar, Gourab; Shah, Alpa Y.; Lokhande, Saili Vikram; Kulkarni, Atharva Yeshwant; Tyagi, Adish; Chauhan, Rohit Singh; Kumar, N. Naveen; Singh, Avadhesh Pratap","Molecular precursor mediated facile synthesis of photo-responsive stibnite Sb2S3 nanorods and tetrahedrite Cu12Sb4S13 nanocrystals","Dalton Transactions","2022","","","","","10.1039/D2DT01814D","","x-ray","0.71073","MoKα","","0.0691","0.0464","","","0.0834","0.0919","","","","","","1.132","","","","has coordinates","276840","2022-07-23","00:16:26",""
"7710758","15.6165","0.0003","10.3077","0.0002","13.0408","0.0003","90","","100.817","0.002","90","","2061.88","0.07","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C18 H32 F6 P2 -","- C18 H32 F6 P2 -","- C72 H128 F24 P8 -","4","1","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","1.54184","CuKα","","0.0284","0.0266","","","0.0684","0.0695","","","","","","1.053","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710759","10.20797","0.00011","10.29984","0.0001","16.34059","0.00016","90","","90","","90","","1718.06","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 P2 -","- C12 H28 F6 P2 -","- C48 H112 F24 P8 -","4","1","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","1.54184","CuKα","","0.0232","0.0227","","","0.0594","0.0599","","","","","","1.037","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710760","8.1128","0.0003","16.6685","0.0005","16.0489","0.0005","90","","92.064","0.003","90","","2168.86","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 F6 O P2 -","- C19 H34 F6 O P2 -","- C76 H136 F24 O4 P8 -","4","1","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","1.54184","CuKα","","0.0634","0.044","","","0.0954","0.1036","","","","","","1.024","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710761","14.7315","0.0003","15.354","0.0003","16.2276","0.0003","90","","90","","90","","3670.48","0.12","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H63 F6 O2 P3 Pd -","- C32 H63 F6 O2 P3 Pd -","- C128 H252 F24 O8 P12 Pd4 -","4","0.5","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","0.71073","MoKα","","0.0872","0.0834","","","0.186","0.1873","","","","","","1.436","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710762","29.1657","0.0004","15.01941","0.00018","17.2918","0.0002","90","","106.794","0.0013","90","","7251.62","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 F6 O P3 Pd -","- C31 H61 F6 O P3 Pd -","- C248 H488 F48 O8 P24 Pd8 -","8","2","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","1.54184","CuKα","","0.0658","0.0606","","","0.14","0.1433","","","","","","1.092","","","","has coordinates,has disorder","276841","2022-07-23","00:17:35",""
"7710763","11.2662","0.0002","7.398","0.0001","12.5768","0.0002","90","","96.3","0.002","90","","1041.91","0.03","150","15","150","15","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Ag2 Cl2 N4 -","- C20 H20 Ag2 Cl2 N4 -","- C40 H40 Ag4 Cl4 N8 -","2","1","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","0.71073","MoKα","","0.03","0.0275","","","0.058","0.0598","","","","","","1.042","","","","has coordinates","276842","2022-07-23","00:18:54",""
"7710764","9.8952","0.0001","17.1907","0.0001","13.1818","0.0001","90","","90.23","0.001","90","","2242.28","0.03","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Au I N4 -","- C22 H24 Au I N4 -","- C88 H96 Au4 I4 N16 -","4","1","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","1.54184","CuKα","","0.0191","0.0182","","","0.0454","0.046","","","","","","1.078","","","","has coordinates","276842","2022-07-23","00:18:54",""
"7710765","7.8357","0.0001","12.7286","0.0001","14.2408","0.0002","90","","131.433","0.002","90","","1064.87","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I N3 -","- C9 H10 I N3 -","- C36 H40 I4 N12 -","4","1","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","1.54184","CuKα","","0.0275","0.0273","","","0.0756","0.0759","","","","","","1.086","","","","has coordinates","276842","2022-07-23","00:18:54",""
"7710766","12.9749","0.0002","7.376","0.0001","32.955","0.0005","90","","120.19","0.002","90","","2726.1","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C9 H9 Ag2 I2 N3 -","- C9 H9 Ag2 I2 N3 -","- C72 H72 Ag16 I16 N24 -","8","2","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","1.54184","CuKα","","0.0404","0.0364","","","0.1047","0.1081","","","","","","1.061","","","","has coordinates","276842","2022-07-23","00:18:54",""
"7710767","9.54745","0.00007","9.97551","0.00006","17.05412","0.00008","99.8735","0.0004","90.4278","0.0005","112.624","0.0006","1472.23","0.017","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Au2 Br2 N12 O -","- C20 H34 Au2 Br2 N12 O -","- C40 H68 Au4 Br4 N24 O2 -","2","1","","Barnard, Peter; Mather , Joel; Wyllie, Jessica Anne; Hamilton, Alex; Soares da Costa, Tatiana P.","Antibacterial silver and gold complexes of imidazole and 1,2,4-triazole derived N-heterocyclic carbenes","Dalton Transactions","2022","","","","","10.1039/D2DT01657E","","","1.54184","CuKα","","0.0335","0.0334","","","0.0876","0.0876","","","","","","1.188","","","","has coordinates","276842","2022-07-23","00:18:55",""
"7710768","11.3885","0.0003","13.9248","0.0004","16.72","0.0007","78.63","0.003","79.475","0.003","89.481","0.002","2554.73","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 Fe N3 O2 -","- C60 H44 Cl4 Fe2 N6 O4 -","- C120 H88 Cl8 Fe4 N12 O8 -","2","1","","Han, Jian; Tan, Liming; Wan, Yanjun; Li, Gang; Anderson, Stephen N.","C(sp3)-H Oxidation and Chlorination Catalysed by A Bioinspired Pincer Iron(III) Complex","Dalton Transactions","2022","","","","","10.1039/D2DT02005J","","x-ray","0.71073","MoKα","","0.1297","0.0776","","","0.1862","0.214","","","","","","1.037","","","","has coordinates","276843","2022-07-23","00:19:36",""
"7710769","29.2228","0.0004","23.4628","0.0003","33.6913","0.0004","90","","105.957","0.001","90","","22210.3","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C228 H172 Co4 N22 O55 Zr4 -","- C227 H173 Co4 N22 O57 Zr4 -","- C908 H692 Co16 N88 O228 Zr16 -","4","0.5","","Teng, Qian; He, Yan-Ping; Chen, Shu-Mei; Zhang, Jian","Synthesis of a Zr4(embonate)6–cobalt based superstructure for photocatalytic hydrogen production","Dalton Transactions","2022","","","","","10.1039/D2DT01976K","","x-ray","1.3405","GaKα","","0.126","0.1023","","","0.2685","0.294","","","","","","0.976","","","","has coordinates,has disorder","276844","2022-07-23","00:21:28",""
"7710770","6.9353","0.0014","10.764","0.002","17.208","0.003","90","","90","","90","","1284.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dicarbonyldichloridobis(dimethylselane)ruthenium","","- C6 H12 Cl2 O2 Ru Se2 -","- C6 H12 Cl2 O2 Ru Se2 -","- C24 H48 Cl8 O8 Ru4 Se8 -","4","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0303","0.0294","","","0.0706","0.071","","","","","","1.038","","","","has coordinates","276845","2022-07-23","00:22:40",""
"7710771","6.1101","0.0012","16.755","0.003","10.176","0.002","90","","102.04","0.03","90","","1018.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyldichlorido(dimethylselane)ruthenium","","- C5 H6 Cl2 O3 Ru Se -","- C5 H6 Cl2 O3 Ru Se -","- C20 H24 Cl8 O12 Ru4 Se4 -","4","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.045","0.0379","","","0.0929","0.0968","","","","","","1.036","","","","has coordinates","276845","2022-07-23","00:22:40",""
"7710772","6.4041","0.0013","17.358","0.004","11.699","0.002","90","","103.23","0.03","90","","1266","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dicarbonyldichloridobis(diphenylselane)ruthenium","","- C26 H20 Cl2 O2 Ru Se2 -","- C26 H20 Cl2 O2 Ru Se2 -","- C52 H40 Cl4 O4 Ru2 Se4 -","2","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0581","0.0551","","","0.1675","0.1738","","","","","","1.065","","","","has coordinates","276845","2022-07-23","00:22:40",""
"7710773","9.891","0.002","12.172","0.002","30.653","0.006","90","","90","","90","","3690.4","1.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dicarbonyldichloridobis(methylphenylsulfane)ruthenium","","- C16 H16 Cl2 O2 Ru S2 -","- C16 H16 Cl2 O2 Ru S2 -","- C128 H128 Cl16 O16 Ru8 S16 -","8","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0523","0.0399","","","0.0944","0.1001","","","","","","1.051","","","","has coordinates","276845","2022-07-23","00:22:41",""
"7710774","11.917","0.002","11.051","0.002","16.051","0.003","90","","110.59","0.03","90","","1978.8","0.7","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dicarbonyldichloridobis(methylphenyltellurane)ruthenium","","- C32 H32 Cl4 O4 Ru2 Te4 -","- C32 H32 Cl4 O4 Ru2 Te4 -","- C64 H64 Cl8 O8 Ru4 Te8 -","2","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.1094","0.0973","","","0.2431","0.2534","","","","","","1.073","","","","has coordinates","276845","2022-07-23","00:22:41",""
"7710775","20.297","0.004","9.6655","0.0019","15.129","0.003","90","","112.81","0.03","90","","2735.9","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tricarbonyldichlorido(methylphenylselane)ruthenium","","- C10 H8 Cl2 O3 Ru Se -","- C10 H8 Cl2 O3 Ru Se -","- C80 H64 Cl16 O24 Ru8 Se8 -","8","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0268","0.0222","","","0.0541","0.0565","","","","","","1.112","","","","has coordinates","276845","2022-07-23","00:22:41",""
"7710776","9.11227","0.00004","9.11227","0.00004","22.3247","0.0003","90","","90","","120","","1605.35","0.02","293","","293","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Na3.603Lu1.9(PO4)3","","","- Lu1.9 Na3.603 O12 P3 -","- Lu1.9 Na3.597 O12 P3 -","- Lu11.4 Na21.582 O72 P18 -","6","0.166667","","Krutyak, Nataliya; Spassky, Dmitry; Deyneko, Dina V.; Antropov, Andrey; Morozov, Vladimir A.; Lazoryak, Bogdan I.; Nagirnyi, Vitali","NASICON-type Na3.6Lu1.8−x(PO4)3:xEu3+ phosphors: structure and luminescence","Dalton Transactions","2022","","","","","10.1039/D2DT01741E","powder diffraction","x-ray","1.78892","CoKα~1~","","0.0197","0.0197","","0.0541","0.0541","","","","18.91","","","","","","","has coordinates","276846","2022-07-23","00:24:51",""
"7710777","13.687","0.004","30.454","0.015","17.661","0.007","90","","103.815","0.016","90","","7149","5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","1-PCy3","","- C76 H87 B2 Br4 N2 O0.29 P5 W -","- C76.006 H87.011 B2 Br4 N2 O0.295 P5 W -","- C304.024 H348.044 B8 Br16 N8 O1.18 P20 W4 -","4","1","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.0696","0.0463","","","0.0968","0.1054","","","","","","1.051","","","","has coordinates,has disorder","276847","2022-07-23","00:26:57",""
"7710778","10.399","0.005","16.792","0.007","17.471","0.008","90.149","0.013","104.315","0.012","90.505","0.017","2956","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","1-SMe2","","- C60 H60 B2 Br4 N2 P4 S W -","- C60 H60 B2 Br4 N2 P4 S W -","- C120 H120 B4 Br8 N4 P8 S2 W2 -","2","1","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.0669","0.0414","","","0.09","0.0994","","","","","","1.041","","","","has coordinates,has disorder","276847","2022-07-23","00:26:57",""
"7710779","18.893","0.009","28.42","0.013","25.635","0.016","90","","90.67","0.03","90","","13763","13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-DMAP","","- C59 H58 B2 Br4 N4 P4 W -","- C59 H58 B2 Br4 N4 P4 W -","- C472 H464 B16 Br32 N32 P32 W8 -","8","2","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.1062","0.0663","","","0.1432","0.1559","","","","","","1.039","","","","has coordinates,has disorder","276847","2022-07-23","00:26:58",""
"7710780","14.76174","0.00009","16.09125","0.0001","16.44031","0.00012","63.3289","0.0007","82.3742","0.0006","80.1777","0.0005","3431.48","0.04","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","2","","- C158 H150 B2 Br4 N4 P8 W2 -","- C158 H150 B2 Br4 N4 P8 W2 -","- C158 H150 B2 Br4 N4 P8 W2 -","1","0.5","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","1.54184","CuKα","","0.0271","0.0254","","","0.065","0.0659","","","","","","1.065","","","","has coordinates,has disorder","276847","2022-07-23","00:26:58",""
"7710781","10.363","0.003","18.694","0.004","21.331","0.007","104.964","0.005","93.977","0.008","96.84","0.007","3942.2","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","1-DMAP","","- C86 H85 B2 Br4 N4 P4 W -","- C86 H85 B2 Br4 N4 P4 W -","- C172 H170 B4 Br8 N8 P8 W2 -","2","1","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.045","0.0342","","","0.0797","0.0848","","","","","","1.042","","","","has coordinates,has disorder","276847","2022-07-23","00:26:58",""
"7710782","14.517","0.003","16.761","0.004","16.951","0.004","91.443","0.019","94.078","0.017","113.893","0.015","3754.9","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","1-CNMes*","","- C80 H86 B2 Br4 N3 P4 W -","- C80 H86 B2 Br4 N3 P4 W -","- C160 H172 B4 Br8 N6 P8 W2 -","2","1","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.0229","0.0196","","","0.0455","0.0468","","","","","","1.042","","","","has coordinates,has disorder","276847","2022-07-23","00:26:58",""
"7710783","19.06","0.004","38.289","0.008","28.618","0.008","90","","112.1","0.006","90","","19351","8","100","2","100","2","","","","","","","","7","I 1 a 1","I -2ya","9","","1-PMe3","","- C67 H69 B2 Br4 N2 P5 W -","- C67 H69 B2 Br4 N2 P5 W -","- C804 H828 B24 Br48 N24 P60 W12 -","12","3","","Haufe, Lisa C.; Arrowsmith, Merle; Dietz, Maximilian; Gärtner, Annalena; Bertermann, Rüdiger; Braunschweig, Holger","Spontaneous N<sub>2</sub>-diboranylation of [W(N<sub>2</sub>)<sub>2</sub>(dppe)<sub>2</sub>] with B<sub>2</sub>Br<sub>4</sub>(SMe<sub>2</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02135h","","","0.71073","MoKα","","0.0382","0.0302","","","0.0567","0.0596","","","","","","1.026","","","","has coordinates,has disorder","276847","2022-07-23","00:26:58",""
"7710784","15.7072","0.0005","27.0793","0.0006","19.3101","0.0006","90","","112.171","0.003","90","","7606.1","0.4","110","2","110","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51.94 H53.91 Ag Co2 F18 N9.97 O2 S2 Sb3 -","- C51.938 H53.907 Ag Co2 F18.0006 N9.969 O2 S2 Sb3.0001 -","- C207.752 H215.628 Ag4 Co8 F72.0024 N39.876 O8 S8 Sb12.0004 -","4","1","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Cleaner and stronger: how 8-quinolinolate facilitates formation of Co(III)-thiolate from Co(II)-disulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02106d","","","0.71073","MoKα","","0.0972","0.0715","","","0.2134","0.2308","","","","","","1.068","","","","has coordinates,has disorder","276848","2022-07-23","00:28:25",""
"7710785","8.8184","0.0003","13.0506","0.0005","13.3362","0.0005","63.783","0.004","73.53","0.003","84.488","0.003","1319.66","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 Cl Co N4 O4 S -","- C26 H34 Cl Co N4 O4 S -","- C52 H68 Cl2 Co2 N8 O8 S2 -","2","1","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Cleaner and stronger: how 8-quinolinolate facilitates formation of Co(III)-thiolate from Co(II)-disulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02106d","","","1.54178","CuKα","","0.0286","0.0282","","","0.0707","0.071","","","","","","1.049","","","","has coordinates","276848","2022-07-23","00:28:26",""
"7710786","18.4673","0.0004","14.935","0.0004","19.1135","0.0004","90","","97.898","0.002","90","","5221.7","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49.81 H50.71 Cl2 Co2 N8.9 O2 S2 -","- C49.806 H50.709 Cl2 Co2 N8.903 O2 S2 -","- C199.224 H202.836 Cl8 Co8 N35.612 O8 S8 -","4","1","","Marvelous, Christian; de Azevedo Santos, Lucas; Siegler, Maxime A.; Fonseca Guerra, Célia; Bouwman, Elisabeth","Cleaner and stronger: how 8-quinolinolate facilitates formation of Co(III)-thiolate from Co(II)-disulfide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02106d","","","0.71073","MoKα","","0.0602","0.048","","","0.1207","0.1284","","","","","","1.035","","","","has coordinates,has disorder","276848","2022-07-23","00:28:26",""
"7710787","9.6558","0.0004","11.8403","0.0003","14.3912","0.0009","91.242","0.004","90.62","0.004","91.585","0.003","1644.19","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Eu N4 O13 -","- C29 H33 Eu N4 O13 -","- C58 H66 Eu2 N8 O26 -","2","1","","Liu, Xueguang; Liu, Wei; Yang, Xiaoshan; Kou, Yao; Chen, Wan-Min; Liu, Wei-Sheng","Construction of a series of Ln-MOFs Luminescent sensors based a functional “V” shaped ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01381A","","x-ray","0.71073","MoKα","","0.0587","0.0513","","","0.1215","0.1281","","","","","","1.072","","","","has coordinates,has disorder","276911","2022-07-23","23:00:41",""
"7710788","8.47783","0.00019","14.8545","0.0003","12.8023","0.0003","90","","98.042","0.002","90","","1596.39","0.06","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Co I2 N4 -","- C10 H16 Co I2 N4 -","- C40 H64 Co4 I8 N16 -","4","1","","Yureva, E. A.; Korchagin, D. V.; Anichkin, A. A.; Shilov, G. V.; Babeshkin, K. A.; Efimov, N. N.; Palii, A. V.; Aldoshin, S. M.","Evidence for zero-field slow magnetic relaxation in a Co(ii) complex with a pseudo-tetrahedral N2I2 environment","Dalton Transactions","2022","","","","","10.1039/D2DT01336C","","","0.71073","MoKα","","0.0284","0.0214","","","0.0474","0.05","","","","","","1.071","","","","has coordinates","276926","2022-07-25","22:52:39",""
"7710789","12.8","0.004","21.718","0.007","24.685","0.007","90","","94.9","0.03","90","","6837","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28.5 Cu N8 O13.25 -","- C31 H28.5 Cu N8 O13.25 -","- C248 H228 Cu8 N64 O106 -","8","2","","Mousazade, Younes; Nandy, Subhajit; Bikas, Rahman; Aleshkevych, Pavlo; Chae, Keun Hwa; Siczek, Milosz; Lis, Tadeusz; Allakhverdiev, Suleyman I.; Najafpour, Mohammad Mahdi","A copper(ii) coordination compound under water-oxidation reaction at neutral conditions: decomposition on the counter electrode","Dalton Transactions","2022","","","","","10.1039/D2DT01572B","","","0.71073","MoKα","","0.1951","0.092","","","0.208","0.2521","","","","","","1.01","","","","has coordinates,has disorder","276927","2022-07-25","22:53:09",""
"7710790","10.9249","0.0006","10.8562","0.0007","19.2499","0.0012","90","","90.827","0.002","90","","2282.9","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Si2 -","- C30 H26 Si2 -","- C120 H104 Si8 -","4","1","","Yuan, Liuzhong; Liu, Yujia; Sun, Wenting; Ye, Kaiqi; Dou, Chuandong; Wang, Yue","PO-containing dibenzopentaarenes: facile synthesis, structures and optoelectronic properties","Dalton Transactions","2022","","","","","10.1039/D2DT01889F","","","0.71073","MoKα","","0.0802","0.0515","","","0.1335","0.1565","","","","","","1.092","","","","has coordinates","276928","2022-07-25","22:53:45",""
"7710791","10.0483","0.0005","21.1031","0.0013","15.5936","0.001","90","","101.908","0.002","90","","3235.5","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 O2 P2 -","- C38 H24 O2 P2 -","- C152 H96 O8 P8 -","4","1","","Yuan, Liuzhong; Liu, Yujia; Sun, Wenting; Ye, Kaiqi; Dou, Chuandong; Wang, Yue","PO-containing dibenzopentaarenes: facile synthesis, structures and optoelectronic properties","Dalton Transactions","2022","","","","","10.1039/D2DT01889F","","","0.71073","MoKα","","0.0693","0.0498","","","0.1329","0.1488","","","","","","1.032","","","","has coordinates","276928","2022-07-25","22:53:46",""
"7710792","8.697","0.0003","11.2407","0.0004","11.9717","0.0004","117.91","0.001","97.247","0.001","95.198","0.001","1010.91","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N P Si -","- C22 H26 N P Si -","- C44 H52 N2 P2 Si2 -","2","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Cyclometalated iridium complexes based on monodentate aminophosphanes","Dalton Transactions","2022","","","","","10.1039/D2DT02081E","","","0.71073","MoKα","","0.0344","0.0327","","","0.0864","0.0876","","","","","","1.051","","","","has coordinates","276929","2022-07-25","22:55:34",""
"7710793","18.6429","0.0017","10.8746","0.001","12.3111","0.0011","90","","104.919","0.001","90","","2411.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl Ir N P -","- C27 H30 Cl Ir N P -","- C108 H120 Cl4 Ir4 N4 P4 -","4","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Cyclometalated iridium complexes based on monodentate aminophosphanes","Dalton Transactions","2022","","","","","10.1039/D2DT02081E","","","0.71073","MoKα","","0.037","0.027","","","0.0559","0.0604","","","","","","1.028","","","","has coordinates","276929","2022-07-25","22:55:35",""
"7710794","15.413","0.005","16.528","0.006","28.517","0.01","106.793","0.006","94.609","0.007","102.683","0.008","6704","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 F6 Ir N2 P2 Si -","- C32 H41 F6 Ir N2 P2 Si -","- C256 H328 F48 Ir8 N16 P16 Si8 -","8","4","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Cyclometalated iridium complexes based on monodentate aminophosphanes","Dalton Transactions","2022","","","","","10.1039/D2DT02081E","","","0.71073","MoKα","","0.0576","0.0309","","","0.0611","0.0695","","","","","","1.018","","","","has coordinates","276929","2022-07-25","22:55:35",""
"7710795","24.8378","0.001","23.4102","0.0008","20.6295","0.0008","90","","91.556","0.002","90","","11990.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H133 F12 Ir2 N11 O P8 -","- C128 H133 F12 Ir2 N11 O P8 -","- C512 H532 F48 Ir8 N44 O4 P32 -","4","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Cyclometalated iridium complexes based on monodentate aminophosphanes","Dalton Transactions","2022","","","","","10.1039/D2DT02081E","","","0.71073","MoKα","","0.0413","0.0339","","","0.0821","0.086","","","","","","1.056","","","","has coordinates","276929","2022-07-25","22:55:35",""
"7710796","9.416","0.001","10.5553","0.0011","14.9182","0.0016","86.096","0.001","74.77","0.001","76.941","0.001","1393.6","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Cl Ir N P Si -","- C30 H38 Cl Ir N P Si -","- C60 H76 Cl2 Ir2 N2 P2 Si2 -","2","1","","Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo","Cyclometalated iridium complexes based on monodentate aminophosphanes","Dalton Transactions","2022","","","","","10.1039/D2DT02081E","","","0.71073","MoKα","","0.0122","0.0115","","","0.0259","0.0261","","","","","","1.064","","","","has coordinates","276929","2022-07-25","22:55:35",""
"7710797","9.7716","0.0004","11.9652","0.0004","12.293","0.0006","80.798","0.003","68.698","0.004","84.505","0.003","1320.75","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H25 Cl2 Cu N5 O13 -","- C18 H25 Cl2 Cu N5 O13 -","- C36 H50 Cl4 Cu2 N10 O26 -","2","1","","Marcinkowski, Dawid; Adamski, Ariel; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Ślusarski, Tomasz; Açıkgöz, Muhammed; Szeliga, Daria; Vadra, Nahir; Karbowiak, Mirosław; Stefaniuk, Ireneusz; Rudowicz, Czesław; Gorczyński, Adam; Korabik, Maria","Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01564A","","x-ray","0.71073","MoKα","","0.1377","0.1325","","","0.3081","0.3104","","","","","","1.046","","","","has coordinates","276930","2022-07-25","22:56:33",""
"7710798","9.6287","0.0004","11.9833","0.0005","12.0249","0.0005","79.263","0.003","68.067","0.004","83.306","0.004","1262.84","0.1","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H25 Cl2 Cu N5 O13 -","- C18 H25 Cl2 Cu N5 O13 -","- C36 H50 Cl4 Cu2 N10 O26 -","2","1","","Marcinkowski, Dawid; Adamski, Ariel; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Ślusarski, Tomasz; Açıkgöz, Muhammed; Szeliga, Daria; Vadra, Nahir; Karbowiak, Mirosław; Stefaniuk, Ireneusz; Rudowicz, Czesław; Gorczyński, Adam; Korabik, Maria","Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01564A","","x-ray","0.71073","MoKα","","0.0354","0.0298","","","0.0699","0.0731","","","","","","1.049","","","","has coordinates","276930","2022-07-25","22:56:33",""
"7710799","9.5535","0.0007","9.944","0.0006","17.773","0.0011","92.72","0.005","90.72","0.005","94.166","0.005","1681.86","0.19","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 Cu F6 N5 O12 S2 -","- C23 H33 Cu F6 N5 O12 S2 -","- C46 H66 Cu2 F12 N10 O24 S4 -","2","1","","Marcinkowski, Dawid; Adamski, Ariel; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Ślusarski, Tomasz; Açıkgöz, Muhammed; Szeliga, Daria; Vadra, Nahir; Karbowiak, Mirosław; Stefaniuk, Ireneusz; Rudowicz, Czesław; Gorczyński, Adam; Korabik, Maria","Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01564A","","x-ray","0.71073","MoKα","","0.0379","0.0332","","","0.0797","0.0829","","","","","","1.031","","","","has coordinates,has disorder","276930","2022-07-25","22:56:34",""
"7710800","12.2019","0.0003","12.2626","0.0003","14.31","0.0004","80.0722","0.0018","88.089","0.002","63.2622","0.0018","1881.2","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N Nb -","- C48 H48 N Nb -","- C96 H96 N2 Nb2 -","2","1","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","1.54178","CuKα","","0.0492","0.0386","","","0.0887","0.0931","","","","","","1.081","","","","has coordinates","276949","2022-07-26","22:54:45",""
"7710801","18.9136","0.0015","6.3645","0.0005","32.438","0.003","90","","100.554","0.003","90","","3838.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52.33 Nb O -","- C42 H43 Nb O -","- C168 H172 Nb4 O4 -","4","1","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","1.54178","CuKα","","0.0497","0.0477","","","0.1343","0.1367","","","","","","1.063","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710802","17.016","0.0006","11.6364","0.0004","20.0189","0.0007","90","","90","","90","","3963.8","0.2","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C50 H52 N Nb -","- C50 H52 N Nb -","- C200 H208 N4 Nb4 -","4","0.5","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","0.71073","MoKα","","0.034","0.0316","","","0.0799","0.0815","","","","","","1.113","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710803","24.167","0.0015","14.2843","0.001","18.8613","0.0012","90","","90","","90","","6511.1","0.7","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C42 H41 Nb -","- C42 H41 Nb -","- C336 H328 Nb8 -","8","2","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","1.54178","CuKα","","0.0627","0.0589","","","0.1583","0.1625","","","","","","1.111","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710804","14.546","0.0004","22.2303","0.0007","25.7237","0.0009","90","","90","","90","","8318.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H54 Cl N Nb -","- C50.997 H53.993 Cl N Nb -","- C407.976 H431.944 Cl8 N8 Nb8 -","8","1","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","0.71073","MoKα","","0.0615","0.0484","","","0.0868","0.0911","","","","","","1.123","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710805","12.9155","0.0008","11.7376","0.0005","9.6693","0.0005","90","","116.367","0.006","90","","1313.34","0.14","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","RbAg3Ga8Se14","","","- Ag3 Ga8 Rb Se14 -","- Ag3 Ga8 Rb Se14 -","- Ag6 Ga16 Rb2 Se28 -","2","0.5","","Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11048","11053","10.1039/d2dt01614a","","","0.71073","MoKα","","0.0243","0.0229","","","0.0528","0.0533","","","","","","1.008","","","","has coordinates","276950","2022-07-26","22:55:42",""
"7710806","12.9694","0.0007","11.7931","0.0005","9.7011","0.0005","90","","116.805","0.005","90","","1324.34","0.13","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","CsAg3Ga8Se14","","","- Ag3 Cs Ga8 Se14 -","- Ag3 Cs Ga8 Se14 -","- Ag6 Cs2 Ga16 Se28 -","2","0.5","","Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11048","11053","10.1039/d2dt01614a","","","0.71073","MoKα","","0.0237","0.0218","","","0.0461","0.0464","","","","","","1.046","","","","has coordinates","276950","2022-07-26","22:55:42",""
"7710807","19.4034","0.0011","18.0204","0.001","10.3393","0.0006","90","","90","","90","","3615.2","0.4","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C28 H60 I2 N10 Sm -","- C28 H60 I2 N10 Sm -","- C112 H240 I8 N40 Sm4 -","4","0.5","","Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J.","Solid-state and solution-phase characterization of Sm<sup>II</sup>-aza[2.2.2]cryptate and its methylated analogue.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10852","10855","10.1039/d2dt01823c","","","0.71073","MoKα","","0.0294","0.0229","","","0.0444","0.0463","","","","","","1.053","","","","has coordinates","276951","2022-07-26","22:57:25",""
"7710808","15.7551","0.0009","12.1307","0.0007","13.7979","0.0008","90","","90","","90","","2637.1","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H42 I2 N8 Sm -","- C18 H42 I2 N8 Sm -","- C72 H168 I8 N32 Sm4 -","4","1","","Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J.","Solid-state and solution-phase characterization of Sm<sup>II</sup>-aza[2.2.2]cryptate and its methylated analogue.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10852","10855","10.1039/d2dt01823c","","","0.71073","MoKα","","0.0609","0.04","","","0.0718","0.0773","","","","","","1.052","","","","has coordinates","276951","2022-07-26","22:57:26",""
"7710809","20.5565","0.001","13.614","0.0006","26.1065","0.0014","90","","107.997","0.002","90","","6948.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H88 Fe6 N10 O20 S4 -","- C48 H88 Fe6 N10 O20 S4 -","- C192 H352 Fe24 N40 O80 S16 -","4","1","","Akhtar, Muhammad Nadeem; Bikas, Rahman; AlDamen, Murad A.; Shaghaghi, Zohreh; Shahid, M.; Sokolov, Andrei","A new hexanuclear Fe(III) nanocluster: Synthesis, structure, magnetic properties, and efficient activity as a precatalyst in water oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT01822E","","","0.71073","MoKα","","0.0865","0.0564","","","0.127","0.1399","","","","","","1.119","","","","has coordinates,has disorder","276968","2022-07-27","22:46:54",""
"7710810","10.7316","0.0001","17.1793","0.0002","20.4541","0.0003","90","","90","","90","","3770.95","0.08","100","0.6","100","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 Al Li N2 O2 -","- C37.002 H60.005 Al Li N2 O2 -","- C148.008 H240.02 Al4 Li4 N8 O8 -","4","1","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0552","0.0463","","","0.1223","0.1286","","","","","","1.078","","","","has coordinates,has disorder","276969","2022-07-27","22:48:34",""
"7710811","12.6973","0.0003","17.1843","0.0006","12.9109","0.0004","90","","100.304","0.003","90","","2771.65","0.15","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 Al2 Li2 N4 -","- C58 H80 Al2 Li2 N4 -","- C116 H160 Al4 Li4 N8 -","2","0.5","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0579","0.0436","","","0.1043","0.1139","","","","","","1.057","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710812","12.6926","0.0004","12.8395","0.0004","14.2842","0.0005","71.822","0.003","72.863","0.003","69.306","0.003","2023.95","0.12","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H112 Al2 N4 Rb2 -","- C86 H112 Al2 N4 Rb2 -","- C86 H112 Al2 N4 Rb2 -","1","0.5","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0621","0.0562","","","0.1424","0.1457","","","","","","1.174","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710813","21.4823","0.0003","20.6133","0.0003","21.7946","0.0003","90","","114.395","0.0017","90","","8789.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H71 Al N4 Na O1.5 -","- C41 H71 Al N4 Na O1.5 -","- C328 H568 Al8 N32 Na8 O12 -","8","2","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0443","0.0389","","","0.104","0.1089","","","","","","1.026","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710814","12.98403","0.00011","16.98245","0.00014","13.13426","0.00012","90","","98.5389","0.0008","90","","2864.01","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 Al2 N4 Na2 -","- C58 H80 Al2 N4 Na2 -","- C116 H160 Al4 N8 Na4 -","2","0.5","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.034","0.0327","","","0.0875","0.0885","","","","","","1.031","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710815","12.1714","0.0002","15.2939","0.0002","17.2744","0.0002","96.603","0.001","96.239","0.001","96.207","0.001","3151.57","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H84 Al2 Cs2 N4 -","- C61.5 H84 Al2 Cs2 N4 -","- C123 H168 Al4 Cs4 N8 -","2","1","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0366","0.0354","","","0.0834","0.0841","","","","","","1.138","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710816","15.07005","0.00019","15.6249","0.0003","20.9706","0.0004","90.9024","0.0016","94.7632","0.0013","113.723","0.0015","4498.5","0.14","190","0.2","190","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H134 Al2 Cs2 N4 O6 -","- C88 H134 Al2 Cs2 N4 O6 -","- C176 H268 Al4 Cs4 N8 O12 -","2","1","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","0.71073","MoKα","","0.0601","0.0432","","","0.0941","0.1033","","","","","","1.067","","","","has coordinates,has disorder","276969","2022-07-27","22:48:35",""
"7710817","16.281","0.0004","12.8355","0.0003","13.3658","0.0003","90","","90","","90","","2793.12","0.11","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H22 B Cl3 N6 W -","- C16 H22 B Cl3 N6 W -","- C64 H88 B4 Cl12 N24 W4 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0416","0.0401","","","0.1096","0.1116","","","","","","1.061","","","","has coordinates,has disorder","276970","2022-07-27","22:54:09",""
"7710818","8.0658","0.0003","14.005","0.0006","9.0433","0.0003","90","","99.903","0.003","90","","1006.32","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H22 B Cl3 N6 W -","- C15 H22 B Cl3 N6 W -","- C30 H44 B2 Cl6 N12 W2 -","2","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","0.71073","MoKα","","0.0372","0.0329","","","0.0657","0.0684","","","","","","1.05","","","","has coordinates,has disorder","276970","2022-07-27","22:54:10",""
"7710819","10.4275","0.0007","10.6735","0.0007","11.334","0.0009","73.274","0.006","64.083","0.007","83.109","0.005","1086.56","0.15","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36 H44 B2 Cl2 N12 O4 Pt W2 -","- C36 H44 B2 Cl2 N12 O4 Pt W2 -","- C36 H44 B2 Cl2 N12 O4 Pt W2 -","1","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0475","0.0367","","","0.0843","0.088","","","","","","1.049","","","","has coordinates,has disorder","276970","2022-07-27","22:54:10",""
"7710820","25.3829","0.0004","10.9902","0.0001","19.8684","0.0003","90","","107.856","0.002","90","","5275.57","0.14","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Au B Br Cl N6 O2 W -","- C18 H22 Au B Br Cl N6 O2 W -","- C144 H176 Au8 B8 Br8 Cl8 N48 O16 W8 -","8","2","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0565","0.0513","","","0.1329","0.1366","","","","","","1.059","","","","has coordinates","276970","2022-07-27","22:54:10",""
"7710821","13.3472","0.0002","10.4746","0.0001","19.2527","0.0003","90","","102.807","0.001","90","","2624.69","0.06","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Au B Cl2 N6 O2 W -","- C21 H28 Au B Cl2 N6 O2 W -","- C84 H112 Au4 B4 Cl8 N24 O8 W4 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0367","0.032","","","0.0822","0.0866","","","","","","1.081","","","","has coordinates","276970","2022-07-27","22:54:10",""
"7710822","20.494","0.0004","13.7716","0.0003","7.9961","0.0001","90","","90","","90","","2256.78","0.07","200","","200","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H22 B Br Mo N6 O2 -","- C18 H22 B Br Mo N6 O2 -","- C72 H88 B4 Br4 Mo4 N24 O8 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","","0.71073","MoKα","","0.0713","0.0557","","0.1432","0.1373","0.1432","","","","","","1.0004","","","","has coordinates","276970","2022-07-27","22:54:10",""
"7710823","25.4253","0.0003","10.9689","0.0001","19.7589","0.0002","90","","108.022","0.001","90","","5240.15","0.1","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Au2 B2 Cl4 Mo2 N12 O4 -","- C36 H44 Au2 B2 Cl4 Mo2 N12 O4 -","- C144 H176 Au8 B8 Cl16 Mo8 N48 O16 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0447","0.0423","","","0.101","0.1021","","","","","","1.169","","","","has coordinates","276970","2022-07-27","22:54:11",""
"7710824","38.1509","0.0008","33.3659","0.0008","7.9763","0.0001","90","","90","","90","","10153.3","0.3","150","0.1","150","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C21 H29 B Br Mo N6 O2 -","- C21 H29 B Br Mo N6 O2 -","- C336 H464 B16 Br16 Mo16 N96 O32 -","16","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0463","0.0454","","","0.1105","0.1111","","","","","","1.065","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710825","10.6762","0.0002","13.5205","0.0004","15.4074","0.0004","83.317","0.002","89.918","0.002","87.946","0.002","2207.48","0.1","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C44 H46 B Cl Mo N6 O2 P2 Pt -","- C44 H46 B Cl Mo N6 O2 P2 Pt -","- C88 H92 B2 Cl2 Mo2 N12 O4 P4 Pt2 -","2","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0294","0.0289","","","0.0669","0.0671","","","","","","1.162","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710826","20.2626","0.0003","13.7288","0.0003","7.9566","0.0002","90","","90","","90","","2213.38","0.08","150.01","0.1","150.01","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H22 B Br N6 O2 W -","- C18 H22 B Br N6 O2 W -","- C72 H88 B4 Br4 N24 O8 W4 -","4","0.5","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0592","0.0569","","","0.1263","0.1276","","","","","","1.138","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710827","11.5638","0.0002","21.0076","0.0004","24.0458","0.0005","71.105","0.002","80.456","0.002","78.496","0.002","5383.22","0.19","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C113 H111.5 B2 Cl2 Mo2 N14.5 O4 P4 Pt2 -","- C113 H111.5 B2 Cl2 Mo2 N14.5 O4 P4 Pt2 -","- C226 H223 B4 Cl4 Mo4 N29 O8 P8 Pt4 -","2","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0407","0.0373","","","0.0848","0.0865","","","","","","1.136","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710828","11.558","0.0002","21.0234","0.0003","24.0391","0.0005","71.013","0.002","80.492","0.002","78.102","0.001","5374.29","0.18","150.01","0.1","150.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C112 H110 B2 Cl2 N14 O4 P4 Pt2 W2 -","- C112 H110 B2 Cl2 N14 O4 P4 Pt2 W2 -","- C224 H220 B4 Cl4 N28 O8 P8 Pt4 W4 -","2","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0498","0.0439","","","0.0966","0.0995","","","","","","1.134","","","","has coordinates,has disorder","276970","2022-07-27","22:54:11",""
"7710829","15.0798","0.0001","16.5138","0.0001","15.4322","0.0001","90","","93.404","0.001","90","","3836.22","0.04","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 B Cl N6 O3 P Pt W -","- C37 H37 B Cl N6 O3 P Pt W -","- C148 H148 B4 Cl4 N24 O12 P4 Pt4 W4 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0248","0.0236","","","0.0574","0.0581","","","","","","1.113","","","","has coordinates","276970","2022-07-27","22:54:11",""
"7710830","19.9121","0.0001","10.8854","0.0001","23.8615","0.0001","90","","90","","90","","5172.01","0.06","150","0.1","150","0.1","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C37 H46 Au2 B2 Br2 Cl4 Mo2 N12 O4 -","- C37 H46 Au2 B2 Br2 Cl4 Mo2 N12 O4 -","- C148 H184 Au8 B8 Br8 Cl16 Mo8 N48 O16 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0317","0.0316","","","0.0801","0.0802","","","","","","1.048","","","","has coordinates","276970","2022-07-27","22:54:11",""
"7710831","9.5614","0.0001","22.6311","0.0002","23.3107","0.0003","90","","98.43","0.001","90","","4989.59","0.09","150","0.1","150","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B Cl N6 O2 P2 Pt W -","- C54 H52 B Cl N6 O2 P2 Pt W -","- C216 H208 B4 Cl4 N24 O8 P8 Pt4 W4 -","4","1","","Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.","Heterobimetallic μ2-halocarbyne complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01558G","","x-ray","1.54184","CuKα","","0.0385","0.0324","","","0.0811","0.0855","","","","","","1.049","","","","has coordinates","276970","2022-07-27","22:54:11",""
"7710832","10.2506","0.0014","12.2916","0.0017","22.231","0.003","80.511","0.002","77.101","0.002","69.932","0.002","2552.6","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H77 Lu N6 -","- C56 H77 Lu N6 -","- C112 H154 Lu2 N12 -","2","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","0.71073","MoKα","","0.0285","0.0241","","","0.0614","0.0636","","","","","","1.072","","","","has coordinates","276987","2022-07-28","22:53:24",""
"7710833","11.716","0.0006","12.8939","0.0008","17.0465","0.001","95.663","0.002","107.984","0.002","113.851","0.002","2164.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H30.5 Lu0.5 N2 O0.5 -","- C24.5 H30.5 Lu0.5 N2 O0.5 -","- C98 H122 Lu2 N8 O2 -","4","2","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0427","0.0372","","","0.0992","0.1017","","","","","","1.12","","","","has coordinates","276987","2022-07-28","22:53:25",""
"7710834","11.4744","0.0005","15.9967","0.0007","16.4196","0.0007","99.226","0.002","102.621","0.002","100.95","0.002","2822.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38.5 Lu0.5 N1.5 O P0.5 -","- C28 H34.5 Lu0.5 N1.5 O0.5 P0.5 -","- C112 H138 Lu2 N6 O2 P2 -","4","2","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0927","0.0838","","","0.234","0.241","","","","","","1.07","","","","has coordinates","276987","2022-07-28","22:53:25",""
"7710835","34.1224","0.0014","12.8198","0.0005","23.4595","0.001","90","","108.391","0.002","90","","9738","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109.25 H114.25 Lu2 N6 -","- C109.37 H114.475 Lu2 N6 -","- C437.48 H457.9 Lu8 N24 -","4","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0868","0.0506","","","0.1251","0.142","","","","","","1.022","","","","has coordinates,has disorder","276987","2022-07-28","22:53:25",""
"7710836","16.9768","0.0007","18.2805","0.0007","20.4588","0.0008","96.866","0.002","92.54","0.002","117.586","0.002","5551.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H145 Lu2 N6 O2 P3 -","- C123 H145 Lu2 N6 O2 P3 -","- C246 H290 Lu4 N12 O4 P6 -","2","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0698","0.0552","","","0.1483","0.1566","","","","","","1.067","","","","has coordinates,has disorder","276987","2022-07-28","22:53:26",""
"7710837","18.5416","0.0009","18.5847","0.0009","36.1653","0.0018","90","","104.63","0.002","90","","12058.1","1","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H91 Lu N8 -","- C63 H91 Lu N8 -","- C504 H728 Lu8 N64 -","8","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0673","0.055","","","0.1629","0.1733","","","","","","1.025","","","","has coordinates,has disorder","276987","2022-07-28","22:53:26",""
"7710838","22.8411","0.0006","16.4502","0.0004","30.0192","0.0007","90","","95.026","0.001","90","","11236.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H126 Lu2 N8 O S4 -","- C102 H126 Lu2 N8 O S4 -","- C408 H504 Lu8 N32 O4 S16 -","4","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.0599","0.052","","","0.1564","0.1607","","","","","","1.048","","","","has coordinates,has disorder","276987","2022-07-28","22:53:26",""
"7710839","14.5232","0.0014","15.3348","0.0015","15.5621","0.0015","85.697","0.004","70.525","0.004","77.353","0.004","3188.3","0.5","173","2","172.98","","","","","","","","","6","P -1","-P 1","2","","","","- C142 H168 Lu2 N6 O4 P4 -","- C142 H168 Lu2 N6 O4 P4 -","- C142 H168 Lu2 N6 O4 P4 -","1","0.5","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","1.34138","GaKα","","0.119","0.1008","","","0.2775","0.2923","","","","","","1.125","","","","has coordinates,has disorder","276987","2022-07-28","22:53:26",""
"7710840","10.8584","0.0006","11.5196","0.0006","21.0813","0.0012","82.416","0.002","84.118","0.002","65.697","0.002","2378.9","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H71 Lu N4 O -","- C53 H71 Lu N4 O -","- C106 H142 Lu2 N8 O2 -","2","1","","Jiang, Wen; Zhang, Lijun; Zhang, Lixin","Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex towards iPrN=C=NiPr, CS2 and Ph2PH","Dalton Transactions","2022","","","","","10.1039/D2DT02008D","","","0.71073","MoKα","","0.0549","0.0379","","","0.079","0.086","","","","","","1.031","","","","has coordinates,has disorder","276987","2022-07-28","22:53:26",""
"7710841","6.9888","0.0002","8.4994","0.0003","11.9404","0.0004","70.725","0.002","74.189","0.002","70.343","0.002","620.01","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Mn N2 O8 -","- C14 H8 Mn N2 O8 -","- C28 H16 Mn2 N4 O16 -","2","1","","Yan, Yong; Zhang, Ningning; Börner, Martin; Kersting, Berthold; Krautscheid, Harald","Hydroxamate based transition metal-organic coordination polymers with semiconductive properties","Dalton Transactions","2022","","","","","10.1039/D2DT01359B","","","1.54186","CuKα","","0.0474","0.044","","","0.1203","0.1247","","","","","","1.046","","","","has coordinates","276988","2022-07-28","22:54:35",""
"7710842","20.7322","0.0013","3.8637","0.0002","20.6366","0.0014","90","","110.65","0.005","90","","1546.85","0.17","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 Cd2 Cl2 N2 O6 -","- C14 H4 Cd2 Cl2 N2 O6 -","- C56 H16 Cd8 Cl8 N8 O24 -","4","0.5","","Yan, Yong; Zhang, Ningning; Börner, Martin; Kersting, Berthold; Krautscheid, Harald","Hydroxamate based transition metal-organic coordination polymers with semiconductive properties","Dalton Transactions","2022","","","","","10.1039/D2DT01359B","","","1.54186","CuKα","","0.0788","0.0695","","","0.1821","0.1911","","","","","","1.099","","","","has coordinates","276988","2022-07-28","22:54:35",""
"7710843","7.0493","0.0003","9.1088","0.0004","11.358","0.0004","76.213","0.003","80.55","0.003","68.314","0.003","655.82","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 Mn2 N4 O16 -","- C28 H16 Mn2 N4 O16 -","- C28 H16 Mn2 N4 O16 -","1","0.5","","Yan, Yong; Zhang, Ningning; Börner, Martin; Kersting, Berthold; Krautscheid, Harald","Hydroxamate based transition metal-organic coordination polymers with semiconductive properties","Dalton Transactions","2022","","","","","10.1039/D2DT01359B","","","1.54186","CuKα","","0.0356","0.032","","","0.0883","0.0924","","","","","","1.064","","","","has coordinates","276988","2022-07-28","22:54:35",""
"7710844","16.3718","0.0013","8.9832","0.0007","17.4044","0.0014","90","","93.781","0.004","90","","2554.1","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","CuL'","","- C18 H28 Cl4 Cu2 N10 O -","- C18 H28 Cl4 Cu2 N10 O -","- C72 H112 Cl16 Cu8 N40 O4 -","4","1","","Fernández-Fariña, Sandra; Martinez-Calvo, Miguel; Romero, María José; Seco, José Manuel; Zaragoza, Guillermo; Pedrido Castiñeiras, Rosa; González-Noya, Ana M.","Hydrolysis of a carbamate triggered by coordination of metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT01622B","","x-ray","0.7107","MoKα","","0.0667","0.0419","","","0.0929","0.1028","","","","","","1.039","","","","has coordinates","276989","2022-07-28","22:55:17",""
"7710845","8.366","0.002","14.446","0.003","10.65","0.002","90","","91.774","0.004","90","","1286.5","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","CdL'","","- C9 H13 Cd Cl2 N5 -","- C9 H13 Cd Cl2 N5 -","- C36 H52 Cd4 Cl8 N20 -","4","1","","Fernández-Fariña, Sandra; Martinez-Calvo, Miguel; Romero, María José; Seco, José Manuel; Zaragoza, Guillermo; Pedrido Castiñeiras, Rosa; González-Noya, Ana M.","Hydrolysis of a carbamate triggered by coordination of metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT01622B","","x-ray","0.7107","MoKα","","0.028","0.0211","","","0.0522","0.0542","","","","","","1.093","","","","has coordinates","276989","2022-07-28","22:55:17",""
"7710846","10.3752","0.0003","26.2191","0.0007","16.9929","0.0005","90","","93.921","0.007","90","","4611.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Fe N5 O5 -","- C22 H30 Fe N5 O5 -","- C176 H240 Fe8 N40 O40 -","8","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1365","0.0699","","","0.1403","0.1772","","","","","","1.078","","","","has coordinates","277003","2022-07-29","22:50:04",""
"7710847","10.4344","0.0003","26.489","0.0007","17.3304","0.0004","90","","93.497","0.007","90","","4781.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Fe N5 O5 -","- C22 H30 Fe N5 O5 -","- C176 H240 Fe8 N40 O40 -","8","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1473","0.0738","","","0.1621","0.1985","","","","","","1.029","","","","has coordinates","277003","2022-07-29","22:50:07",""
"7710848","9.4977","0.0016","24.352","0.004","12.701","0.002","90","","107.22","0.008","90","","2805.9","0.8","232","2","232","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br2 F3 Fe N4 O5 S -","- C23 H28 Br2 F3 Fe N4 O5 S -","- C92 H112 Br8 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1407","0.0838","","","0.2144","0.3006","","","","","","1.156","","","","has coordinates","277003","2022-07-29","22:50:07",""
"7710849","9.6648","0.0003","17.3665","0.0006","18.0637","0.0006","117.891","0.008","92.564","0.006","98.773","0.007","2624.9","0.3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F3 Fe N4 O5 S -","- C23 H30 F3 Fe N4 O5 S -","- C92 H120 F12 Fe4 N16 O20 S4 -","4","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.0972","0.0575","","","0.1233","0.1398","","","","","","1.021","","","","has coordinates","277003","2022-07-29","22:50:07",""
"7710850","9.5742","0.0003","24.9656","0.0008","12.61","0.0004","90","","106.182","0.008","90","","2894.7","0.2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br2 F3 Fe N4 O5 S -","- C23 H28 Br2 F3 Fe N4 O5 S -","- C92 H112 Br8 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.0981","0.059","","","0.1254","0.1429","","","","","","1.031","","","","has coordinates","277003","2022-07-29","22:50:07",""
"7710851","9.5803","0.0002","17.0105","0.0004","17.8749","0.0004","117.516","0.008","92.441","0.007","99.47","0.007","2524.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F3 Fe N4 O5 S -","- C23 H30 F3 Fe N4 O5 S -","- C92 H120 F12 Fe4 N16 O20 S4 -","4","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.071","0.0505","","","0.1072","0.1161","","","","","","1.078","","","","has coordinates","277003","2022-07-29","22:50:07",""
"7710852","10.4125","0.0009","26.399","0.003","17.1521","0.0015","90","","93.788","0.007","90","","4704.5","0.8","246","2","246","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Fe N5 O5 -","- C22 H30 Fe N5 O5 -","- C176 H240 Fe8 N40 O40 -","8","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1762","0.0806","","","0.2003","0.2924","","","","","","0.972","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710853","12.9434","0.0004","16.556","0.0005","14.1963","0.0004","90","","91.038","0.006","90","","3041.64","0.16","166","2","166","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C92 H104 Cl16 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1284","0.0625","","","0.1213","0.1448","","","","","","0.955","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710854","9.5228","0.0004","24.5067","0.0011","12.6996","0.0006","90","","106.982","0.008","90","","2834.5","0.3","254","2","254","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br2 F3 Fe N4 O5 S -","- C23 H28 Br2 F3 Fe N4 O5 S -","- C92 H112 Br8 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1232","0.0616","","","0.1242","0.1498","","","","","","0.982","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710855","9.632","0.0004","17.2317","0.0007","17.9551","0.0007","117.79","0.008","92.58","0.007","98.954","0.007","2580.6","0.3","248","2","248","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F3 Fe N4 O5 S -","- C23 H30 F3 Fe N4 O5 S -","- C92 H120 F12 Fe4 N16 O20 S4 -","4","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1594","0.0532","","","0.0912","0.1222","","","","","","0.823","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710856","12.9687","0.0006","16.5697","0.0008","14.2061","0.0007","90","","90.864","0.006","90","","3052.4","0.3","206","2","206","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C92 H104 Cl16 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1024","0.063","","","0.1517","0.173","","","","","","0.976","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710857","9.463","0.0002","24.1569","0.0004","12.6631","0.0002","90","","107.221","0.008","90","","2764.97","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Br2 F3 Fe N4 O5 S -","- C23 H28 Br2 F3 Fe N4 O5 S -","- C92 H112 Br8 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.0317","0.0295","","","0.0724","0.0735","","","","","","1.036","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710858","10.3846","0.0003","26.2141","0.0008","16.9891","0.0005","90","","93.932","0.007","90","","4613.9","0.2","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Fe N5 O5 -","- C22 H30 Fe N5 O5 -","- C176 H240 Fe8 N40 O40 -","8","2","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1869","0.0666","","","0.0991","0.1308","","","","","","0.881","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710859","13.1344","0.0007","16.6871","0.0009","14.2579","0.0007","90","","90.518","0.006","90","","3124.8","0.3","300","2","300","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C92 H104 Cl16 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1841","0.0791","","","0.1846","0.2361","","","","","","0.993","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710860","12.9046","0.0002","16.562","0.0003","14.1674","0.0003","90","","91.087","0.006","90","","3027.4","0.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C23 H26 Cl4 F3 Fe N4 O5 S -","- C92 H104 Cl16 F12 Fe4 N16 O20 S4 -","4","1","","Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki","The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01597H","","","1.54187","CuKα","","0.1212","0.068","","","0.1309","0.1527","","","","","","1.031","","","","has coordinates","277003","2022-07-29","22:50:08",""
"7710861","8.502","0.002","4.4946","0.001","14.526","0.003","90","","99.675","0.008","90","","547.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Br I3 Pb3 S -","- Br I3 Pb3 S -","- Br2 I6 Pb6 S2 -","2","0.5","","Yan, Mei; Tang, Ru-Ling; Zhou, Wenfeng; Liu, Wen-Long; Guo, Sheng-Ping","Pb3SBrI3: The first Pb-based chalcohalide with multiple halogens features unique two-dimensional structure composed of diverse Pb-centered polyhedra","Dalton Transactions","2022","","","","","10.1039/D2DT02038F","","","0.71073","MoKα","","0.0497","0.041","","","0.1157","0.1208","","","","","","1.071","","","","has coordinates","277004","2022-07-29","22:50:47",""
"7710862","10.6001","0.001","17.0958","0.0017","17.6717","0.0018","90","","90","","90","","3202.4","0.5","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N11 O14 Tb -","- C23 H36 N11 O14 Tb -","- C92 H144 N44 O56 Tb4 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.035","0.0298","","","0.0654","0.0679","","","","","","1.042","","","","has coordinates","277005","2022-07-29","22:52:15",""
"7710863","10.543","0.0004","16.874","0.0007","17.4368","0.0007","90","","90","","90","","3102.1","0.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Dy N11 O13 -","- C22 H32 Dy N11 O13 -","- C88 H128 Dy4 N44 O52 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0207","0.0199","","","0.0484","0.0487","","","","","","1.135","","","","has coordinates","277005","2022-07-29","22:52:16",""
"7710864","10.6136","0.0004","17.0969","0.0006","17.6798","0.0006","90","","90","","90","","3208.2","0.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Gd N11 O14 -","- C23 H36 Gd N11 O14 -","- C92 H144 Gd4 N44 O56 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0182","0.0173","","","0.046","0.0465","","","","","","1.025","","","","has coordinates","277005","2022-07-29","22:52:16",""
"7710865","43.0794","0.0016","10.7816","0.0004","22.297","0.0008","90","","119.609","0.002","90","","9003.8","0.6","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 F36 Gd2 N8 O16 -","- C68 H58 F36 Gd2 N8 O16 -","- C272 H232 F144 Gd8 N32 O64 -","4","0.5","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0398","0.0348","","","0.0905","0.0941","","","","","","1.043","","","","has coordinates,has disorder","277005","2022-07-29","22:52:16",""
"7710866","43.1578","0.0017","10.766","0.0005","22.3304","0.0011","90","","119.799","0.001","90","","9003.6","0.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 F36 N8 O16 Tb2 -","- C68 H58 F36 N8 O16 Tb2 -","- C272 H232 F144 N32 O64 Tb8 -","4","0.5","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0595","0.0459","","","0.1305","0.1448","","","","","","1.045","","","","has coordinates,has disorder","277005","2022-07-29","22:52:16",""
"7710867","43.362","0.002","10.8235","0.0005","22.3344","0.001","90","","119.897","0.003","90","","9087.2","0.8","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H58 Dy2 F36 N8 O16 -","- C68 H58 Dy2 F36 N8 O16 -","- C272 H232 Dy8 F144 N32 O64 -","4","0.5","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0478","0.0395","","","0.1083","0.1148","","","","","","1.04","","","","has coordinates","277005","2022-07-29","22:52:16",""
"7710868","10.1309","0.0004","24.5283","0.0009","18.0181","0.0007","90","","100.636","0.001","90","","4400.5","0.3","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 O4 V -","- C48 H64 O4 V -","- C192 H256 O16 V4 -","4","1","","Bonitatibus, Peter John; Alvarez, Santiago; Armstrong, William H.; Baldansuren, Amgalanbaatar; Gaspard, Mallory E.; Lakshmi, K. V.; Ziegler, Micah S.; Charles, Philip","Synthesis, Crystal Structure, EPR, and DFT Studies of an Unusually Distorted Vanadium(II) Complex","Dalton Transactions","2022","","","","","10.1039/D2DT02392J","","","0.71073","MoKα","","0.1517","0.0895","","","0.1481","0.1698","","","","","","1.122","","","","has coordinates","277006","2022-07-29","22:53:30",""
"7710869","23.4271","0.0004","11.91406","0.0002","22.8582","0.0004","90","","95.9647","0.0014","90","","6345.45","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","vanadium biphenolate","","- C64 H104 Li2 O10 V -","- C64 H104 Li2 O10 V -","- C256 H416 Li8 O40 V4 -","4","0.5","","Bonitatibus, Peter John; Alvarez, Santiago; Armstrong, William H.; Baldansuren, Amgalanbaatar; Gaspard, Mallory E.; Lakshmi, K. V.; Ziegler, Micah S.; Charles, Philip","Synthesis, Crystal Structure, EPR, and DFT Studies of an Unusually Distorted Vanadium(II) Complex","Dalton Transactions","2022","","","","","10.1039/D2DT02392J","","x-ray","0.71073","MoKα","","0.0383","0.0347","","","0.0922","0.0943","","","","","","1.041","","","","has coordinates","277006","2022-07-29","22:53:31",""
"7710870","25.421","0.005","22.267","0.004","24.753","0.005","90","","96.334","0.004","90","","13926","5","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-298K","","- C100 H106 B2 Cl5.84 Fe6 N38 O26 -","- C104 H110 B2 Cl5.852 Fe6 N34 O26 -","- C416 H440 B8 Cl23.408 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.1083","0.063","","","0.177","0.2104","","","","","","1.015","","","","has coordinates","277019","2022-07-30","22:42:10",""
"7710871","25.019","0.003","22.076","0.003","24.338","0.003","90","","96.654","0.002","90","","13352","3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-150K","","- C104 H110 B2 Cl6 Fe6 N34 O26 -","- C104 H110 B2 Cl6 Fe6 N34 O26 -","- C416 H440 B8 Cl24 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.0828","0.0544","","","0.1471","0.1692","","","","","","1.02","","","","has coordinates,has disorder","277019","2022-07-30","22:42:21",""
"7710872","25.026","0.002","22.1299","0.0019","24.392","0.002","90","","96.767","0.002","90","","13414.7","1.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1-100K","","- C104 H110 B2 Cl6 Fe6 N34 O26 -","- C104 H110 B2 Cl6 Fe6 N34 O26 -","- C416 H440 B8 Cl24 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.0688","0.0457","","","0.1172","0.1343","","","","","","1.021","","","","has coordinates,has disorder","277019","2022-07-30","22:42:24",""
"7710873","24.824","0.003","21.984","0.003","23.864","0.003","90","","97.145","0.002","90","","12922","3","100.15","","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","3-100K","","- C102 H106 B2 Cl6 Fe6 N34 O26 -","- C102 H106 B2 Cl6 Fe6 N34 O26 -","- C408 H424 B8 Cl24 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.0947","0.071","","","0.1854","0.2085","","","","","","1.1","","","","has coordinates","277019","2022-07-30","22:42:35",""
"7710874","25.26","0.003","22.226","0.003","24.363","0.003","90","","96.68","0.002","90","","13585","3","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","3-298K","","- C102 H106 B2 Cl6 Fe6 N34 O26 -","- C102 H106 B2 Cl6 Fe6 N34 O26 -","- C408 H424 B8 Cl24 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.1028","0.0686","","","0.1929","0.2318","","","","","","1.029","","","","has coordinates,has disorder","277019","2022-07-30","22:42:38",""
"7710875","25.526","0.0011","22.3469","0.001","24.7393","0.0011","90","","95.456","0.002","90","","14048","1.1","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-298K","","- C106 H114 B2 Cl6 Fe6 N34 O26 -","- C106 H114 B2 Cl5.47 Fe6 N34 O22.94 -","- C424 H456 B8 Cl21.88 Fe24 N136 O91.76 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.0861","0.054","","","0.1512","0.1808","","","","","","1.029","","","","has coordinates,has disorder","277019","2022-07-30","22:42:47",""
"7710876","25.057","0.002","22.1418","0.0018","24.2605","0.0019","90","","95.759","0.001","90","","13392","1.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-100K","","- C106 H111.47 B2 Cl6 Fe6 N34 O26 -","- C106 H111.474 B2 Cl6 Fe6 N34 O26 -","- C424 H445.896 B8 Cl24 Fe24 N136 O104 -","4","0.5","","Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng","Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior","Dalton Transactions","2022","","","","","10.1039/D2DT02041F","","","0.71073","MoKα","","0.0773","0.0546","","","0.1492","0.165","","","","","","1.033","","","","has coordinates,has disorder","277019","2022-07-30","22:42:53",""
"7710877","6.191","0.003","10.226","0.004","10.769","0.005","77.765","0.01","73.925","0.01","87.279","0.011","640.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N4 Ni S6 -","- C24 H22 N4 Ni S6 -","- C24 H22 N4 Ni S6 -","1","0.5","","Pal, Sarvesh Kumar; Singh, Baghendra; Yadav, Jitendra Kumar; Yadav, Chote Lal; Drew, Michael G. B.; Singh, Nanhai; Indra, Arindam; Kumar, Kamlesh","Homoleptic Ni(II) Dithiocarbamate Complexes as Pre-catalysts for Electrocatalytic Oxygen Evolution Reaction","Dalton Transactions","2022","","","","","10.1039/D2DT01971J","","","0.71073","MoKα","","0.1299","0.0827","","","0.2205","0.2446","","","","","","1.162","","","","has coordinates,has disorder","277030","2022-08-01","22:53:30",""
"7710878","21.409","0.004","32.303","0.007","7.353","0.0015","90","","90","","90","","5085.2","1.8","102","2","102","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H21 Cl N3 O2 Ru -","- C30 H21 Cl N3 O2 Ru -","- C240 H168 Cl8 N24 O16 Ru8 -","8","1","","Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In","Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11404","11415","10.1039/d2dt01019d","","","0.7","synchrotron","","0.0419","0.0362","","","0.1053","0.1093","","","","","","1.126","","","","has coordinates","277047","2022-08-02","22:54:41",""
"7710879","9.441","0.0019","17.008","0.003","13.085","0.003","90","","100.91","0.03","90","","2063.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N4 O3 Ru -","- C22 H17 Cl N4 O3 Ru -","- C88 H68 Cl4 N16 O12 Ru4 -","4","1","","Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In","Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11404","11415","10.1039/d2dt01019d","","","0.8","synchrotron","","0.078","0.0632","","","0.179","0.1898","","","","","","1.117","","","","has coordinates","277047","2022-08-02","22:54:42",""
"7710880","10.532","0.002","11.19","0.002","12.057","0.002","94.94","0.03","113.97","0.03","98.24","0.03","1268.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Cl N4 O3 Ru -","- C30 H21 Cl N4 O3 Ru -","- C60 H42 Cl2 N8 O6 Ru2 -","2","1","","Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In","Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11404","11415","10.1039/d2dt01019d","","","0.63","synchrotron","","0.0539","0.0496","","","0.1244","0.1268","","","","","","1.068","","","","has coordinates","277047","2022-08-02","22:54:42",""
"7710881","7.43","0.0015","11.531","0.002","13.619","0.003","109.75","0.03","102.83","0.03","102.5","0.03","1015.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N2 O4 Ru -","- C22 H22 Cl N2 O4 Ru -","- C44 H44 Cl2 N4 O8 Ru2 -","2","1","","Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In","Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11404","11415","10.1039/d2dt01019d","","","0.63","synchrotron","","0.0364","0.034","","","0.0952","0.0966","","","","","","1.102","","","","has coordinates,has disorder","277047","2022-08-02","22:54:42",""
"7710882","12.7261","0.0003","15.991","0.0003","16.3017","0.0003","90","","100.261","0.002","90","","3264.39","0.12","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu4 N4 Se4 -","- C28 H32 Cu4 N4 Se4 -","- C112 H128 Cu16 N16 Se16 -","4","1","","Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Nigam, Sandeep; Wadawale, Amey; Gotluru, Kedarnath; Vats, Bal Govind; Kumar, N. Naveen; Singh, Vishal","Facile One Pot Synthesis of Highly Photoresponsive Coinage Metal Selenides (Cu1.8Se and Ag2Se) Achieved Through Novel Cu and Ag Pyridylselenolates as Molecular Precursors","Dalton Transactions","2022","","","","","10.1039/D2DT01897G","","x-ray","0.71073","MoKα","","0.0687","0.0515","","","0.131","0.1383","","","","","","1.006","","","","has coordinates","277048","2022-08-02","22:55:32",""
"7710883","9.782","0.0007","12.4356","0.0006","12.6351","0.0008","72.654","0.005","72.595","0.006","71.503","0.005","1355.33","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H52 Ag6 N6 Se6 -","- C50 H52 Ag6 N6 Se6 -","- C50 H52 Ag6 N6 Se6 -","1","0.5","","Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Nigam, Sandeep; Wadawale, Amey; Gotluru, Kedarnath; Vats, Bal Govind; Kumar, N. Naveen; Singh, Vishal","Facile One Pot Synthesis of Highly Photoresponsive Coinage Metal Selenides (Cu1.8Se and Ag2Se) Achieved Through Novel Cu and Ag Pyridylselenolates as Molecular Precursors","Dalton Transactions","2022","","","","","10.1039/D2DT01897G","","x-ray","0.71073","MoKα","","0.0518","0.0403","","","0.0977","0.1022","","","","","","1.004","","","","has coordinates","277048","2022-08-02","22:55:35",""
"7710884","12.1492","0.0004","16.0365","0.0005","13.0874","0.0005","90","","101.103","0.003","90","","2502.1","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag6 N6 Se6 -","- C42 H48 Ag6 N6 Se6 -","- C84 H96 Ag12 N12 Se12 -","2","0.5","","Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Nigam, Sandeep; Wadawale, Amey; Gotluru, Kedarnath; Vats, Bal Govind; Kumar, N. Naveen; Singh, Vishal","Facile One Pot Synthesis of Highly Photoresponsive Coinage Metal Selenides (Cu1.8Se and Ag2Se) Achieved Through Novel Cu and Ag Pyridylselenolates as Molecular Precursors","Dalton Transactions","2022","","","","","10.1039/D2DT01897G","","x-ray","0.71073","MoKα","","0.0499","0.0318","","","0.0681","0.0731","","","","","","1.032","","","","has coordinates","277048","2022-08-02","22:55:35",""
"7710885","10.643","0.004","26.202","0.009","10.933","0.004","90","","94.503","0.007","90","","3039.5","1.9","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 N4 O8 Zn -","- C35 H24 N4 O8 Zn -","- C140 H96 N16 O32 Zn4 -","4","1","","Geng, Jun; Li, Yuyao; Lin, Hongyan; Liu, Qianqian; Lu, Junjun; Wang, Xiuli","A new three-dimensional zinc(II) metal-organic framework as a fluorescence sensor for sensing the biomarker 3-nitrotyrosine.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11390","11396","10.1039/d2dt01800d","","","0.71073","MoKα","","0.1209","0.0581","","","0.1397","0.1688","","","","","","1.009","","","","has coordinates,has disorder","277049","2022-08-02","22:56:03",""
"7710886","13.5173","0.0004","10.3836","0.0002","12.845","0.0004","90","","95.869","0.002","90","","1793.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(Adamantyl)-3-(2,4,6-trimethylphenyl)-imidazolin-2-yliden","","- C22 H28 N2 -","- C22 H28 N2 -","- C88 H112 N8 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","0.71073","MoKα","","0.0624","0.0441","","","0.1296","0.1381","","","","","","1.066","","","","has coordinates","277050","2022-08-02","22:58:48",""
"7710887","16.9882","0.0003","18.0462","0.0002","18.3671","0.0003","90","","116.512","0.002","90","","5038.71","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H70 Cl4 N6 Ti -","- C51 H70 Cl4 N6 Ti -","- C204 H280 Cl16 N24 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0606","0.0561","","","0.1599","0.1649","","","","","","1.076","","","","has coordinates","277050","2022-08-02","22:58:50",""
"7710888","9.8202","0.0004","13.2868","0.0006","14.4204","0.0007","63.091","0.005","81.445","0.004","76.358","0.004","1628.58","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cl5 N3 Ti -","- C26 H36 Cl5 N3 Ti -","- C52 H72 Cl10 N6 Ti2 -","2","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","0.71073","MoKα","","0.0667","0.0581","","","0.156","0.1618","","","","","","1.03","","","","has coordinates","277050","2022-08-02","22:58:51",""
"7710889","9.9759","0.0001","11.3019","0.0001","22.1158","0.0001","90","","90","","90","","2493.48","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Cl2 N3 Ti -","- C27 H33 Cl2 N3 Ti -","- C108 H132 Cl8 N12 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0227","0.0218","","","0.0504","0.0513","","","","","","1.033","","","","has coordinates","277050","2022-08-02","22:58:51",""
"7710890","9.7011","0.0004","24.1407","0.0008","10.2311","0.0004","90","","99.776","0.004","90","","2361.24","0.16","103","1","103","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 N3 Si -","- C25 H37 N3 Si -","- C100 H148 N12 Si4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","0.71073","MoKα","","0.0601","0.0457","","","0.1173","0.1258","","","","","","1.04","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710891","16.6873","0.0002","11.3724","0.0001","19.4505","0.0002","90","","90","","90","","3691.21","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C176 H232 N24 -","8","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0429","0.0408","","","0.1015","0.1038","","","","","","1.043","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710892","13.2464","0.00004","13.47847","0.00004","24.79338","0.00008","90","","101.079","0.0003","90","","4344.13","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H57 Cl3 N6 Ti -","- C44.5 H57 Cl3 N6 Ti -","- C178 H228 Cl12 N24 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0462","0.045","","","0.129","0.1308","","","","","","1.069","","","","has coordinates,has disorder","277050","2022-08-02","22:58:52",""
"7710893","13.8605","0.0001","6.513","0.0001","24.0076","0.0002","90","","98.599","0.001","90","","2142.89","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 N3 -","- C25 H35 N3 -","- C100 H140 N12 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0401","0.0378","","","0.0967","0.0998","","","","","","1.038","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710894","9.6555","0.0002","23.9142","0.0003","10.2854","0.0002","90","","98.744","0.002","90","","2347.33","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cl3 N3 Ti -","- C22 H28 Cl3 N3 Ti -","- C88 H112 Cl12 N12 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","0.71073","MoKα","","0.0329","0.0268","","","0.0751","0.0774","","","","","","1.051","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710895","10.4134","0.0002","12.3697","0.0002","16.5809","0.0002","90","","90","","90","","2135.8","0.06","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-(Adamantyl)-3-(2,6-diisopropylphenyl)-imidazolin-2-yliden","","- C25 H34 N2 -","- C25 H34 N2 -","- C100 H136 N8 -","4","0.5","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0417","0.0398","","","0.0995","0.1013","","","","","","1.044","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710896","10.3898","0.0002","19.4721","0.0002","13.9922","0.0002","90","","101.575","0.002","90","","2773.21","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H39 Cl2 N3 Ti -","- C30 H39 Cl2 N3 Ti -","- C120 H156 Cl8 N12 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","0.71073","MoKα","","0.0358","0.0307","","","0.0836","0.0856","","","","","","1.07","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710897","9.4381","0.0007","10.9659","0.0008","11.5914","0.0006","79.38","0.005","83.286","0.005","70.007","0.006","1106.18","0.14","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 As Cl4 O2 -","- C24 H15 As Cl4 O2 -","- C48 H30 As2 Cl8 O4 -","2","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0406","0.0349","","","0.0854","0.0889","","","","","","1.031","","","","has coordinates","277059","2022-08-03","22:50:47",""
"7710898","10.6976","0.0004","23.8214","0.0011","13.1719","0.0006","90","","92.048","0.004","90","","3354.5","0.3","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H9 As Cl4 F18 O2 -","- C30 H9 As Cl4 F18 O2 -","- C120 H36 As4 Cl16 F72 O8 -","4","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0701","0.0533","","","0.131","0.1442","","","","","","1.035","","","","has coordinates","277059","2022-08-03","22:50:47",""
"7710899","8.7641","0.0003","16.2724","0.0006","15.7928","0.0005","90","","94.801","0.003","90","","2244.36","0.13","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 As Cl4 O3 -","- C25 H15 As Cl4 O3 -","- C100 H60 As4 Cl16 O12 -","4","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.032","0.0241","","","0.0561","0.0592","","","","","","1.046","","","","has coordinates","277059","2022-08-03","22:50:47",""
"7710900","8.7973","0.0011","9.0423","0.0009","16.3023","0.0019","74.533","0.009","86.779","0.01","62.57","0.011","1106","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl4 O2 P -","- C24 H15 Cl4 O2 P -","- C48 H30 Cl8 O4 P2 -","2","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0663","0.0483","","","0.1166","0.1346","","","","","","1.066","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710901","10.0471","0.0003","12.849","0.0005","21.2792","0.0007","92.495","0.003","97.124","0.003","99.593","0.003","2681.93","0.16","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 As2 Cl8 O10 -","- C54 H42 As2 Cl8 O10 -","- C108 H84 As4 Cl16 O20 -","2","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.068","0.0568","","","0.1457","0.1599","","","","","","1.056","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710902","18.5696","0.0011","16.0085","0.0005","17.352","0.0011","90","","117.11","0.008","90","","4591.5","0.5","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 As Cl4 F5 O2 -","- C24 H8 As Cl4 F5 O2 -","- C192 H64 As8 Cl32 F40 O16 -","8","2","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","","0.71073","MoKα","","0.1148","0.0544","","","0.1292","0.1443","","","","","","0.931","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710903","9.2905","0.0005","14.1453","0.0018","17.0807","0.001","86.897","0.019","77.83","0.02","79.292","0.015","2155.8","0.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 As Cl4 O2 -","- C24 H13 As Cl4 O2 -","- C96 H52 As4 Cl16 O8 -","4","2","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","","0.71075","MoKα","","0.0826","0.0479","","","0.0809","0.0971","","","","","","1.081","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710904","8.8878","0.0005","10.6388","0.0004","12.0109","0.0005","106.101","0.003","103.786","0.004","98.692","0.004","1030.6","0.09","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H9 As Cl4 O2 S2 -","- C20 H9 As Cl4 O2 S2 -","- C40 H18 As2 Cl8 O4 S4 -","2","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0296","0.0256","","","0.0603","0.0624","","","","","","1.039","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710905","8.7605","0.0002","9.4518","0.0002","16.2259","0.0003","105.744","0.002","99","0.002","99.061","0.002","1248.65","0.05","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H11 As Cl4 F6 O2 -","- C26 H11 As Cl4 F6 O2 -","- C52 H22 As2 Cl8 F12 O4 -","2","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0299","0.0258","","","0.0639","0.067","","","","","","1.047","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710906","21.6414","0.0007","16.1963","0.0006","25.843","0.001","90","","96.869","0.003","90","","8993.2","0.6","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H13 Cl4 O2 Sb -","- C24 H13 Cl4 O2 Sb -","- C384 H208 Cl64 O32 Sb16 -","16","2","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.0488","0.0302","","","0.0657","0.074","","","","","","1.002","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710907","10.3586","0.0007","10.8901","0.0009","21.1163","0.0013","90","","102.404","0.006","90","","2326.4","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl4 O2 Sb -","- C24 H15 Cl4 O2 Sb -","- C96 H60 Cl16 O8 Sb4 -","4","1","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.047","0.0328","","","0.0764","0.086","","","","","","1.119","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710908","9.3999","0.0008","13.5076","0.0013","17.3444","0.0015","89.651","0.007","85.511","0.007","84.269","0.007","2184.5","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H13 Cl4 O2 P -","- C24 H13 Cl4 O2 P -","- C96 H52 Cl16 O8 P4 -","4","2","","Chishiro, Akane; Akioka, Ippei; Sumida, Akifumi; Oka, Kouki; Tonai, Norimitsu; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tetrachlorocatecholates of triarylarsines as a novel class of Lewis acids","Dalton Transactions","2022","","","","","10.1039/D2DT02145E","","x-ray","0.71073","MoKα","","0.1165","0.062","","","0.1536","0.209","","","","","","0.995","","","","has coordinates","277059","2022-08-03","22:50:48",""
"7710909","30.4077","0.0005","30.4077","0.0005","23.409","0.0004","90","","90","","120","","18744.8","0.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C91 H121 I N2 O4 P4 Re -","- C64 H58 N2 O4 P4 Re -","- C576 H522 N18 O36 P36 Re9 -","9","0.5","","Cooper, Saul M.; Siakalli, Christina; White, Andrew J. P.; Frei, Angelo; Miller, Philip W.; Long, Nicholas J.","Synthesis and anti-microbial activity of a new series of bis(diphosphine) rhenium(v) dioxo complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02157A","","","0.71073","MoKα","","0.0451","0.0288","","","0.073","0.0803","","","","","","1.028","","","","has coordinates,has disorder","277060","2022-08-03","22:52:53",""
"7710910","29.5291","0.0007","29.5291","0.0007","24.5448","0.0005","90","","90","","120","","18534.9","0.7","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C69.75 H65.5 Cl3.5 I N2 O6 P4 Re -","- C68 H62 I0.999933 N2 O6 P4 Re -","- C612 H558 I8.9994 N18 O54 P36 Re9 -","9","0.5","","Cooper, Saul M.; Siakalli, Christina; White, Andrew J. P.; Frei, Angelo; Miller, Philip W.; Long, Nicholas J.","Synthesis and anti-microbial activity of a new series of bis(diphosphine) rhenium(v) dioxo complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02157A","","","0.71073","MoKα","","0.0597","0.0463","","","0.1396","0.151","","","","","","1.035","","","","has coordinates,has disorder","277060","2022-08-03","22:52:53",""
"7710911","12.971","0.0003","14.1823","0.0003","18.7894","0.0003","91.9605","0.0016","101.288","0.0016","114.163","0.0019","3067.27","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H84 Cl N2 O8 P6 Re -","- C54 H52 N2 O8 P6 Re -","- C108 H104 N4 O16 P12 Re2 -","2","1","","Cooper, Saul M.; Siakalli, Christina; White, Andrew J. P.; Frei, Angelo; Miller, Philip W.; Long, Nicholas J.","Synthesis and anti-microbial activity of a new series of bis(diphosphine) rhenium(v) dioxo complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02157A","","","0.71073","MoKα","","0.0505","0.0366","","","0.0717","0.0761","","","","","","1.036","","","","has coordinates","277060","2022-08-03","22:52:53",""
"7710912","32.06","0.006","15.235","0.003","45.929","0.009","90","","90.67","0.03","90","","22432","8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C210 H178 Cl8 N39 O44 Zn4 -","- C180 H108 N24 Zn4 -","- C720 H432 N96 Zn16 -","4","1","","Siddique, Rashid G.; Arachchige, Kasun; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Sterics and metal-ion radius control the self-assembly of [M2L3] helicates","Dalton Transactions","2022","","","","","10.1039/D2DT02241A","","","0.7108","synchrotron","","0.1654","0.1482","","","0.399","0.4126","","","","","","1.107","","","","has coordinates","277061","2022-08-03","22:54:20",""
"7710913","13.876","0.003","40.319","0.008","33.407","0.007","90","","90","","90","","18690","7","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C98 H66 Cl4 Co2 N16 O16 -","- C90 H54 Co2 N12 -","- C720 H432 Co16 N96 -","8","1","","Siddique, Rashid G.; Arachchige, Kasun; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Sterics and metal-ion radius control the self-assembly of [M2L3] helicates","Dalton Transactions","2022","","","","","10.1039/D2DT02241A","","","0.7108","synchrotron","","0.2101","0.1468","","","0.3449","0.388","","","","","","0.91","","","","has coordinates","277061","2022-08-03","22:54:21",""
"7710914","17.8918","0.0013","18.6494","0.0014","19.6329","0.0015","90","","90","","90","","6550.9","0.8","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H32 F12 N6 P2 Ru -","- C29 H32 F12 N6 P2 Ru -","- C232 H256 F96 N48 P16 Ru8 -","8","1","","Kumar, Rakesh; Awasthi, Ayushi; Gupta, Sikha; Eerlapally, Raju; Draksharapu, Apparao","Spectroscopic characterization of a Ru(III)-OCl intermediate: A structural mimic for haloperoxidase enzyme","Dalton Transactions","2022","","","","","10.1039/D2DT01947G","","","0.71073","MoKα","","0.0489","0.0364","","","0.0718","0.0792","","","","","","1.095","","","","has coordinates","277062","2022-08-03","22:54:57",""
"7710915","5.8009","0.0002","8.5919","0.0002","9.7054","0.0002","69.951","0.002","73.313","0.002","76.994","0.002","430.94","0.02","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F6 O6 S2 -","- C16 H8 F6 O6 S2 -","- C16 H8 F6 O6 S2 -","1","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","0.71073","MoKα","","0.0237","0.0217","","","0.0528","0.0539","","","","","","1.1747","","","","has coordinates","277157","2022-08-08","23:12:06",""
"7710916","9.8534","0.0006","10.8417","0.0007","11.1079","0.0006","92.036","0.005","102.618","0.005","114.109","0.006","1046.54","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51 N O5 -","- C51 H51 N O5 -","- C51 H51 N O5 -","1","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0744","0.0552","","","0.1444","0.153","","","","","","0.937","","","","has coordinates,has disorder","277157","2022-08-08","23:12:50",""
"7710917","11.6681","0.0007","21.2988","0.0013","18.9147","0.0009","90","","90","","90","","4700.6","0.5","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C192 H208 Si16 -","4","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0931","0.0738","","","0.2043","0.2273","","","","","","1.043","","","","has coordinates","277157","2022-08-08","23:13:03",""
"7710918","10.1803","0.0003","10.4962","0.0003","11.2236","0.0003","90","","106.591","0.003","90","","1149.36","0.06","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 -","- C36 H20 -","- C72 H40 -","2","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0436","0.0383","","","0.0974","0.1022","","","","","","1.042","","","","has coordinates","277157","2022-08-08","23:13:13",""
"7710919","9.2137","0.0003","10.7277","0.0004","11.1202","0.0003","91.128","0.003","106.294","0.003","112.674","0.003","963.26","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C48 H44 O4 -","2","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","","1.54184","CuKα","","0.0482","0.0388","","","0.1054","0.1113","","","","","","1.049","","","","has coordinates,has disorder","277157","2022-08-08","23:13:25",""
"7710920","17.90519","0.00019","10.80972","0.00012","35.6601","0.0005","90","","98.7252","0.0012","90","","6822.14","0.14","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H104 Al2 Si10 -","- C52 H104 Al2 Si10 -","- C208 H416 Al8 Si40 -","4","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0808","0.0847","","","","","","1.038","","","","has coordinates","277157","2022-08-08","23:13:47",""
"7710921","9.4442","0.0012","16.6757","0.0015","20.7613","0.0016","99.27","0.007","96.849","0.008","99.523","0.009","3146.5","0.6","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C104 H188 Al4 Si16 -","- C104 H188 Al4 Si16 -","- C104 H188 Al4 Si16 -","1","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.1813","0.1001","","","0.2396","0.3201","","","","","","0.969","","","","has coordinates","277157","2022-08-08","23:14:03",""
"7710922","11.66217","0.00018","15.35916","0.00016","17.2597","0.0002","90","","106.371","0.0015","90","","2966.23","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H88 Al2 Si8 -","- C46 H88 Al2 Si8 -","- C92 H176 Al4 Si16 -","2","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0428","0.0371","","","0.0974","0.1022","","","","","","1.03","","","","has coordinates","277157","2022-08-08","23:14:15",""
"7710923","7.97671","0.00017","15.5959","0.0003","10.1573","0.0002","90","","105.596","0.002","90","","1217.08","0.04","100","0.1","100","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C36 H20 -","- C36 H20 -","- C72 H40 -","2","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0832","0.0847","","","","","","1.035","","","","has coordinates","277157","2022-08-08","23:14:24",""
"7710924","15.1482","0.0003","18.535","0.0003","23.3981","0.0004","102.967","0.002","103.576","0.002","97.456","0.002","6106.6","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C98 H182 Al4 Si16 -","- C98 H182 Al4 Si16 -","- C196 H364 Al8 Si32 -","2","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0687","0.0538","","","0.1331","0.1455","","","","","","1.044","","","","has coordinates,has disorder","277157","2022-08-08","23:14:24",""
"7710925","30.0412","0.0003","20.17214","0.00013","25.6654","0.0003","90","","108.098","0.0012","90","","14783.6","0.3","100","0.1","100.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H211 Al4 N4 Si16 -","- C112 H196 Al4 N4 Si16 -","- C448 H784 Al16 N16 Si64 -","4","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.0758","0.0574","","","0.1518","0.1653","","","","","","1.037","","","","has coordinates","277157","2022-08-08","23:14:33",""
"7710926","15.7845","0.0003","22.9127","0.0005","26.7425","0.0005","111.11","0.002","103.729","0.002","96.176","0.002","8563.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C160 H244 Al4 N4 Si16 -","- C160 H244 Al4 N4 Si16 -","- C320 H488 Al8 N8 Si32 -","2","1","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","0.71073","MoKα","","0.092","0.0632","","","0.1698","0.1856","","","","","","1.075","","","","has coordinates","277157","2022-08-08","23:14:39",""
"7710927","43.937","0.002","12.285","0.0006","12.994","0.0006","90","","90","","90","","7013.7","0.6","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H24 Au O2 P S -","- C15 H24 Au O2 P S -","- C240 H384 Au16 O32 P16 S16 -","16","1","","Cirri, Damiano; Massai, Lara; Giacomelli, Chiara; Trincavelli, Maria Letizia; Guerri, Annalisa; Gabbiani, Chiara; Messori, Luigi; Pratesi, Alessandro","Synthesis, chemical characterization, and biological evaluation of a novel auranofin derivative as an anticancer agent","Dalton Transactions","2022","","","","","10.1039/D2DT00836J","","","0.71073","MoKα","","0.0288","0.0265","","","0.0617","0.0624","","","","","","1.194","","","","has coordinates","277158","2022-08-08","23:17:21",""
"7710928","19.8695","0.0014","20.1675","0.0014","21.5072","0.0015","68.2219","0.001","84.2175","0.001","61.4812","0.0009","7001.2","0.9","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 Nd3 O7 Si6 -","- C97 H152 Cl Li N9 Nd3 O7 Si6 -","- C194 H304 Cl2 Li2 N18 Nd6 O14 Si12 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1627","0.0705","","","0.1612","0.2029","","","","","","0.963","","","","has coordinates","277159","2022-08-08","23:20:34",""
"7710929","19.8493","0.0016","20.2615","0.0017","21.6207","0.0018","67.224","0.001","83.793","0.001","61.753","0.001","7032.3","1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Gd3 Li N9 O7 Si6 -","- C97 H152 Cl Gd3 Li N9 O7 Si6 -","- C194 H304 Cl2 Gd6 Li2 N18 O14 Si12 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1749","0.0701","","","0.1509","0.1922","","","","","","0.938","","","","has coordinates","277159","2022-08-08","23:21:01",""
"7710930","19.827","0.003","20.177","0.003","21.529","0.003","67.638","0.002","83.935","0.002","61.667","0.002","6981.1","1.8","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Dy3 Li N9 O7 Si6 -","- C97 H152 Cl Dy3 Li N9 O7 Si6 -","- C194 H304 Cl2 Dy6 Li2 N18 O14 Si12 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1751","0.0787","","","0.177","0.2199","","","","","","1.017","","","","has coordinates","277159","2022-08-08","23:21:01",""
"7710931","19.8895","0.0016","20.3112","0.0017","21.6747","0.0018","67.074","0.001","83.823","0.001","61.8","0.001","7075.6","1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Sm3 -","- C97 H152 Cl Li N9 O7 Si6 Sm3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Sm6 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1265","0.0587","","","0.1378","0.1675","","","","","","0.995","","","","has coordinates","277159","2022-08-08","23:21:01",""
"7710932","19.7356","0.0017","20.0788","0.0018","21.4057","0.0019","68.002","0.001","84.065","0.001","61.686","0.001","6895.2","1.1","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Yb3 -","- C97 H152 Cl Li N9 O7 Si6 Yb3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Yb6 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1491","0.0687","","","0.1591","0.1959","","","","","","1.022","","","","has coordinates","277159","2022-08-08","23:21:02",""
"7710933","19.816","0.002","20.172","0.002","21.517","0.002","67.643","0.001","83.979","0.002","61.661","0.001","6970.8","1.2","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Li N9 O7 Si6 Y3 -","- C97 H152 Cl Li N9 O7 Si6 Y3 -","- C194 H304 Cl2 Li2 N18 O14 Si12 Y6 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1939","0.0774","","","0.1811","0.2275","","","","","","0.956","","","","has coordinates,has disorder","277159","2022-08-08","23:21:02",""
"7710934","19.7581","0.0015","20.089","0.0015","21.4239","0.0016","67.998","0.001","84.06","0.001","61.627","0.001","6908.1","0.9","298.15","","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C97 H152 Cl Er3 Li N9 O7 Si6 -","- C97 H152 Cl Er3 Li N9 O7 Si6 -","- C194 H304 Cl2 Er6 Li2 N18 O14 Si12 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation","Dalton Transactions","2022","","","","","10.1039/D2DT02053J","","","0.71073","MoKα","","0.1425","0.0641","","","0.1405","0.1763","","","","","","1.007","","","","has coordinates,has disorder","277159","2022-08-08","23:21:02",""
"7710935","13.24737","0.00005","12.50127","0.00005","22.95513","0.00012","90","","96.8516","0.0004","90","","3774.43","0.03","95","2","95","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cu F6 N4 P -","- C16 H20 Cu F6 N4 P -","- C128 H160 Cu8 F48 N32 P8 -","8","2","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","1.54184","CuKα","","0.0282","0.0265","","","0.0713","0.0724","","","","","","1.048","","","","has coordinates","277177","2022-08-09","22:46:26",""
"7710936","11.00109","0.00008","11.00109","0.00008","17.2226","0.0002","90","","90","","90","","2084.35","0.03","95","2","95","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","","","- C18 H24 Cu F6 N4 P -","- C18 H24 Cu F6 N4 P -","- C72 H96 Cu4 F24 N16 P4 -","4","0.25","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","1.54184","CuKα","","0.0266","0.026","","","0.0712","0.0716","","","","","","1.081","","","","has coordinates","277177","2022-08-09","22:46:37",""
"7710937","15.7889","0.0003","8.0743","0.00013","20.8731","0.0003","90","","97.721","0.0016","90","","2636.87","0.08","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cu F6 N4 P -","- C24 H36 Cu F6 N4 P -","- C96 H144 Cu4 F24 N16 P4 -","4","0.5","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","0.71073","MoKα","","0.0302","0.027","","","0.077","0.0788","","","","","","1.053","","","","has coordinates","277177","2022-08-09","22:46:39",""
"7710938","18.1722","0.0003","13.8167","0.0003","15.4821","0.0003","90","","90","","90","","3887.24","0.13","93","2","93","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C33 H42 Cu2 F12 N8 O P2 -","- C33 H42 Cu2 F12 N8 O P2 -","- C132 H168 Cu8 F48 N32 O4 P8 -","4","0.25","","Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.","Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02180C","","x-ray","0.71073","MoKα","","0.051","0.0491","","","0.1183","0.1191","","","","","","1.095","","","","has coordinates","277177","2022-08-09","22:46:45",""
"7710939","7.7499","0.0009","10.4043","0.0012","12.9225","0.0015","87.015","0.005","74.757","0.005","75.488","0.005","973.1","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N14 O16 Pd2 -","- C28 H42 N14 O16 Pd2 -","- C28 H42 N14 O16 Pd2 -","1","0.5","","Mishra, Srabani Srotoswini; Chand, Dillip Kumar","Diastereoselectively self-sorted low-symmetry binuclear metallomacrocycle and trinuclear metallocage.","Dalton transactions (Cambridge, England : 2003)","2022","51","31","11650","11657","10.1039/d2dt01571d","","","1.54178","CuKα","","0.1082","0.099","","","0.286","0.3024","","","","","","1.257","","","","has coordinates","277178","2022-08-09","22:47:29",""
"7710940","10.4399","0.0004","14.9215","0.0005","11.5303","0.0005","90","","102.329","0.0013","90","","1754.75","0.12","148","2","148","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl4 Cu2 N4 O8 -","- C30 H40 Cl4 Cu2 N4 O8 -","- C60 H80 Cl8 Cu4 N8 O16 -","2","0.5","","Ranjan, Rishi; Chakraborty, Argha; Kyarikwal, Reena; Ganguly, Rakesh; Mukhopadhyay, Suman","Binuclear Cu(II) complex as an efficient Photocatalyst for N-alkylation of aromatic amines","Dalton Transactions","2022","","","","","10.1039/D2DT01771G","","","0.71073","MoKα","","0.0889","0.0426","","","0.0754","0.0946","","","","","","1.109","","","","has coordinates","277179","2022-08-09","22:47:51",""
"7710941","8.087","0.0011","14.6292","0.0012","16.036","0.003","90","","94.505","0.007","90","","1891.3","0.5","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C10 H26 B Cl2 N3 O5 P2 Pt -","- C10 H26 B Cl2 N3 O5 P2 Pt -","- C40 H104 B4 Cl8 N12 O20 P8 Pt4 -","4","2","","Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R.","Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01482C","","","0.71073","MoKα","","0.0479","0.045","","","0.0887","0.0902","","","","","","1.29","","","","has coordinates,has disorder","277180","2022-08-09","22:49:04",""
"7710942","25.9286","0.0008","18.9042","0.0004","18.5116","0.0004","90","","90","","90","","9073.6","0.4","150","2","150","","","","","","","","","10","A e a 2","A 2 -2ab","41","","","","- C22 H48 B2 Cl2 F6 N6 O14 P4 Pt2 S2 -","- C22 H48 B2 Cl2 F6 N6 O14 P4 Pt2 S2 -","- C176 H384 B16 Cl16 F48 N48 O112 P32 Pt16 S16 -","8","1","","Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R.","Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01482C","","","0.71073","MoKα","","0.0348","0.0326","","","0.0678","0.0688","","","","","","1.13","","","","has coordinates,has disorder","277180","2022-08-09","22:49:05",""
"7710943","84.172","0.008","10.5703","0.0011","19.8514","0.0019","90","","103.243","0.005","90","","17193","3","150","2","150.15","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C58 H128 B2 Cl5 F2 K N8 O15 P4 Pt2 -","- C58 H128 B2 Cl5 F2 K N8 O15 P4 Pt2 -","- C464 H1024 B16 Cl40 F16 K8 N64 O120 P32 Pt16 -","8","1","","Culpepper, Johnathan D.; Lee, Kyounghoon; Portis, William; Swenson, Dale C.; Daly, Scott R.","Fluorination and hydrolytic stability of water-soluble platinum complexes with a borane-bridged diphosphoramidite ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01482C","","","0.71073","MoKα","","0.0512","0.0478","","","0.1097","0.111","","","","","","1.119","","","","has coordinates,has disorder","277180","2022-08-09","22:49:05",""
"7710944","13.7421","0.0007","26.2769","0.0012","15.0315","0.0007","90","","90","","90","","5427.9","0.4","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H24 Cl3 Cu3 N9 O3 -","- C15 H24 Cl3 Cu3 N9 O3 -","- C120 H192 Cl24 Cu24 N72 O24 -","8","0.5","","Liu, Tingting; Liu, Qian; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Tian, Guoxin","Reactivity of di(amidoxime) ligand in the presence of Cu(II)/Ni(II)","Dalton Transactions","2022","","","","","10.1039/D2DT02223K","","x-ray","0.71073","MoKα","","0.0515","0.0492","","","0.1287","0.1314","","","","","","1.089","","","","has coordinates","277198","2022-08-10","22:56:16",""
"7710945","14.2267","0.001","14.4788","0.001","16.4283","0.001","69.591","0.006","64.511","0.007","70.285","0.006","2791.9","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 Cl6 Cu15 N36 O30 -","- C60 H96 Cl6 Cu15 N36 O30 -","- C60 H96 Cl6 Cu15 N36 O30 -","1","0.5","","Liu, Tingting; Liu, Qian; Xue, Yun; Yang, Suliang; Ma, Fuqiu; Tian, Guoxin","Reactivity of di(amidoxime) ligand in the presence of Cu(II)/Ni(II)","Dalton Transactions","2022","","","","","10.1039/D2DT02223K","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.131","0.1481","","","","","","1.036","","","","has coordinates,has disorder","277198","2022-08-10","22:56:16",""
"7710946","17.3963","0.0015","17.3963","0.0015","22.9","0.0019","90","","90","","120","","6001.8","0.9","293","2","293.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H48 Ag2 Bi I12.29 N12 Zn2 -","- C60 H48 Ag1.9998 Bi I12.306 N12 Zn2 -","- C180 H144 Ag5.9994 Bi3 I36.918 N36 Zn6 -","3","0.166667","","Zhang, Bo; Li, Jun; Yang, Yan; Wang, Wen-Hao; Shen, Hong-Yao; Shao, Ya-Nan","A new metal complex-templated silver iodobismuthate exhibiting photocurrent response and photocatalytic property","Dalton Transactions","2022","","","","","10.1039/D2DT01682F","","","0.71073","MoKα","","0.0611","0.0336","","","0.0661","0.0764","","","","","","1.049","","","","has coordinates,has disorder","277199","2022-08-10","22:56:48",""
"7710947","11.3318","0.0004","13.1141","0.0005","18.3687","0.0007","76.736","0.003","88.534","0.002","86.056","0.002","2650.46","0.17","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N4 O2 -","- C33 H32 N4 O2 -","- C132 H128 N16 O8 -","4","2","","Ihde, Michael Henry; Covey, Gabrielle; Johnson, Ashley D. G.; Fronczek, Frank R.; Wallace, Karl; Bonizzoni, Marco","The effect of outer-sphere anions on the spectroscopic response of metal-binding chemosensors","Dalton Transactions","2022","","","","","10.1039/D2DT01794F","","","0.71073","MoKα","","0.1296","0.0692","","","0.1705","0.2018","","","","","","1.027","","","","has coordinates,has disorder","277209","2022-08-11","22:46:42",""
"7710948","28.706","0.005","5.1381","0.0006","16.688","0.003","90","","105.523","0.007","90","","2371.6","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,9-cyclododecatrien-1-ylmethanol","","- C13 H20 O -","- C13 H20 O -","- C104 H160 O8 -","8","2","","Chen, Yushou; Liu, Lianghong; Wang, xuerong; Liao, Zhouyuji; Wang, Runbin; Xiong, Yan-Shi; Chen, Jianxin; jiang, guijuan; Wang, Jintao; Liao, Xiangwen","Synthesis and antibacterial activity study of ruthenium-based metallodrugs with membrane-disruptive mechanism against Staphylococcus aureus","Dalton Transactions","2022","","","","","10.1039/D2DT01531E","","","1.54178","CuKα","","0.2121","0.1238","","","0.3602","0.4129","","","","","","1.061","","","","has coordinates","277226","2022-08-12","22:58:53",""
"7710949","11.4312","0.0013","31.433","0.004","57.919","0.006","90","","90","","90","","20811","4","273","2","273.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C25 H22 N4 O7 S Zn -","- C25 H16 N4 O4 S Zn -","- C800 H512 N128 O128 S32 Zn32 -","32","1","","Sinha, Chittaranjan; Bairy, Gurupada; Dey, Arka; Dutta, Basudeb; Maity, Suvendu","Rational synthesis of a pyridyl-imidazoquinazoline based multifunctional 3D Zn(II)-MOF: structure, luminescence, selective and sensitive detection of Al3+ and TNP, and its semiconducting device application","Dalton Transactions","2022","","","","","10.1039/D2DT01790C","","","0.71073","MoKα","","0.0898","0.0623","","","0.1813","0.2169","","","","","","1.1344","","","","has coordinates,has disorder","277227","2022-08-12","22:59:57",""
"7710950","17.4311","0.0003","15.1404","0.0003","20.4627","0.0004","90","","110.268","0.002","90","","5066.01","0.18","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 Cu F6 N2 O P3 -","- C57 H56 Cu F6 N2 O P3 -","- C228 H224 Cu4 F24 N8 O4 P12 -","4","1","","Wöhler, Jannika; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The effects of introducing terminal alkenyl substituents into the 2,2'-bipyridine domain in [Cu(N^N)(P^P)]+ coordination compounds","Dalton Transactions","2022","","","","","10.1039/D2DT01799G","","x-ray","1.54186","CuKα","","0.0491","0.0488","","","0.1327","0.1331","","","","","","1.036","","","","has coordinates,has disorder","277228","2022-08-12","23:01:24",""
"7710951","10.9358","0.0002","20.1224","0.0002","21.6456","0.0004","90","","95.543","0.001","90","","4740.94","0.13","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Cu F6 N2 O P3 -","- C54 H48 Cu F6 N2 O P3 -","- C216 H192 Cu4 F24 N8 O4 P12 -","4","1","","Wöhler, Jannika; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The effects of introducing terminal alkenyl substituents into the 2,2'-bipyridine domain in [Cu(N^N)(P^P)]+ coordination compounds","Dalton Transactions","2022","","","","","10.1039/D2DT01799G","","x-ray","1.54186","CuKα","","0.0494","0.0453","","","0.1214","0.1242","","","","","","1.033","","","","has coordinates,has disorder","277228","2022-08-12","23:01:24",""
"7710952","11.9227","0.0005","13.465","0.0006","18.5972","0.0008","104.521","0.003","98.067","0.004","110.792","0.003","2613.8","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H50 Cl2 Cu F6 N2 O P3 -","- C54 H48 Cu F6 N2 O P3 -","- C108 H96 Cu2 F12 N4 O2 P6 -","2","1","","Wöhler, Jannika; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The effects of introducing terminal alkenyl substituents into the 2,2'-bipyridine domain in [Cu(N^N)(P^P)]+ coordination compounds","Dalton Transactions","2022","","","","","10.1039/D2DT01799G","","x-ray","1.54186","CuKα","","0.0811","0.075","","","0.2202","0.233","","","","","","1.147","","","","has coordinates,has disorder","277228","2022-08-12","23:01:24",""
"7710953","11.7231","0.0003","14.5309","0.0004","17.2049","0.0004","88.374","0.002","73.464","0.002","67.052","0.002","2575.89","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H57 Cu F6 N2 O1.5 P3 -","- C56 H52 Cu F6 N2 O P3 -","- C112 H104 Cu2 F12 N4 O2 P6 -","2","1","","Wöhler, Jannika; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The effects of introducing terminal alkenyl substituents into the 2,2'-bipyridine domain in [Cu(N^N)(P^P)]+ coordination compounds","Dalton Transactions","2022","","","","","10.1039/D2DT01799G","","x-ray","1.54186","CuKα","","0.0717","0.0688","","","0.2012","0.2053","","","","","","1.11","","","","has coordinates,has disorder","277228","2022-08-12","23:01:24",""
"7710954","14.052","0.0006","20.4008","0.0011","15.9262","0.0006","90","","93.489","0.003","90","","4557.1","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C204 H176 Cu4 F24 N8 O4 P12 -","4","1","","Wöhler, Jannika; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The effects of introducing terminal alkenyl substituents into the 2,2'-bipyridine domain in [Cu(N^N)(P^P)]+ coordination compounds","Dalton Transactions","2022","","","","","10.1039/D2DT01799G","","x-ray","1.54186","CuKα","","0.0902","0.0844","","","0.2064","0.2139","","","","","","1.016","","","","has coordinates,has disorder","277228","2022-08-12","23:01:24",""
"7710955","10.8019","0.001","13.0077","0.0013","16.9777","0.0016","97.955","0.004","96.588","0.003","113.624","0.003","2126.1","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H58.64 B2 Cl Eu N6 O17.32 P2 -","- C30 H58.64 B2 Cl Eu N6 O17.32 P2 -","- C60 H117.28 B4 Cl2 Eu2 N12 O34.64 P4 -","2","1","","Storm Thomsen, Maria; Andersen, Helene O. B.; Sørensen, Thomas Just","Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the Electronic Structure","Dalton Transactions","2022","","","","","10.1039/D2DT02172B","","","0.71073","MoKα","","0.0328","0.025","","","0.0554","0.0583","","","","","","1.044","","","","has coordinates,has disorder","277229","2022-08-12","23:02:21",""
"7710956","9.154","0.0011","15.8407","0.0017","15.8615","0.0017","90","","90","","90","","2300","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H64 Cl2 Eu2 N8 O22 -","- C32 H64 Cl2 Eu2 N8 O22 -","- C64 H128 Cl4 Eu4 N16 O44 -","2","0.5","","Storm Thomsen, Maria; Andersen, Helene O. B.; Sørensen, Thomas Just","Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the Electronic Structure","Dalton Transactions","2022","","","","","10.1039/D2DT02172B","","","0.71073","MoKα","","0.0158","0.0153","","","0.0376","0.0378","","","","","","1.083","","","","has coordinates,has disorder","277229","2022-08-12","23:02:21",""
"7710957","9.632","0.005","11.523","0.006","18.177","0.01","90.087","0.019","93.53","0.02","94.613","0.017","2007.1","1.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H33 F3 N3 Na O11 S -","- C41 H33 F3 N3 Na O11 S -","- C82 H66 F6 N6 Na2 O22 S2 -","2","1","","Ghosh, Pradyut; Nandi, Mandira; Bej, Somnath","NDI integrated rotaxane/catenane and their interactions with anions","Dalton Transactions","2022","","","","","10.1039/D2DT01908F","","","0.71073","MoKα","","0.1391","0.0679","","","0.167","0.2151","","","","","","1","","","","has coordinates","277230","2022-08-12","23:02:47",""
"7710958","18.2022","0.0002","15.1707","0.0002","27.4875","0.0003","90","","101.119","0.001","90","","7447.92","0.15","100","0.11","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H216 Au4 Ge18 P4 Si16 -","- C84 H216 Au4 Ge18 P4 Si16 -","- C168 H432 Au8 Ge36 P8 Si32 -","2","0.5","","Schnepf, Andreas; Gienger, Christian","Substitution of Hyp (Hyp = Si(SiMe3)3) at metalloid [Ge9(Hyp)3]- clusters using phosphine stabilized Au(I)Cl.","Dalton Transactions","2022","","","","","10.1039/D2DT01665F","","x-ray","0.71073","MoKα","","0.0375","0.0278","","","0.0633","0.0692","","","","","","1.04","","","","has coordinates,has disorder","277231","2022-08-12","23:03:34",""
"7710959","5.6229","0.0012","7.5296","0.0016","11.956","0.003","85.464","0.003","80.159","0.003","79.593","0.003","489.94","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 O2 P2 -","- C18 H32 O2 P2 -","- C18 H32 O2 P2 -","1","0.5","","Schnepf, Andreas; Gienger, Christian","Substitution of Hyp (Hyp = Si(SiMe3)3) at metalloid [Ge9(Hyp)3]- clusters using phosphine stabilized Au(I)Cl.","Dalton Transactions","2022","","","","","10.1039/D2DT01665F","","x-ray","0.71073","MoKα","","0.0372","0.0326","","","0.0818","0.0858","","","","","","1.036","","","","has coordinates","277231","2022-08-12","23:03:34",""
"7710960","15.7399","0.0019","24.623","0.003","35.814","0.004","90","","96.305","0.002","90","","13796","3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H172 Au4 Ge18 O4 P4 Si16 -","- C72 H172 Au4 Ge18 O4 P4 Si16 -","- C288 H688 Au16 Ge72 O16 P16 Si64 -","4","0.5","","Schnepf, Andreas; Gienger, Christian","Substitution of Hyp (Hyp = Si(SiMe3)3) at metalloid [Ge9(Hyp)3]- clusters using phosphine stabilized Au(I)Cl.","Dalton Transactions","2022","","","","","10.1039/D2DT01665F","","x-ray","0.71073","MoKα","","0.0555","0.035","","","0.0707","0.0774","","","","","","1.013","","","","has coordinates,has disorder","277231","2022-08-12","23:03:34",""
"7710961","17.8013","0.0002","15.2125","0.0002","9.0578","0.0001","90","","90","","90","","2452.87","0.05","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H36 I2 N2 O2 Pb -","- C19 H36 I2 N2 O2 Pb -","- C76 H144 I8 N8 O8 Pb4 -","4","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.0379","0.0366","","","0.0955","0.0966","","","","","","1.052","","","","has coordinates","277242","2022-08-13","22:46:47",""
"7710962","16.7159","0.0001","12.6782","0.0001","26.029","0.0002","90","","109.73","0.001","90","","5192.42","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl2 N2 Pb -","- C26 H30 Cl2 N2 Pb -","- C208 H240 Cl16 N16 Pb8 -","8","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.019","0.0184","","","0.0493","0.0497","","","","","","1.086","","","","has coordinates,has disorder","277242","2022-08-13","22:46:47",""
"7710963","9.7905","0.0002","10.7707","0.0002","14.436","0.0003","91.813","0.002","92.379","0.002","99.916","0.002","1497.09","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H82 Cl4 N2 Pb2 -","- C64 H82 Cl4 N2 Pb2 -","- C64 H82 Cl4 N2 Pb2 -","1","0.5","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0456","0.0421","","","0.1126","0.1136","","","","","","1.27","","","","has coordinates,has disorder","277242","2022-08-13","22:46:47",""
"7710964","9.4065","0.0002","9.8592","0.0002","12.6428","0.0004","107.157","0.002","91.178","0.002","109.297","0.002","1048.29","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H30 N2 Pb -","- C23 H30 N2 Pb -","- C46 H60 N4 Pb2 -","2","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.0253","0.0244","","","0.0644","0.065","","","","","","1.106","","","","has coordinates","277242","2022-08-13","22:46:47",""
"7710965","20.0799","0.0002","10.8146","0.0001","37.5441","0.0004","90","","102.104","0.001","90","","7971.68","0.14","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81 H102 Cl6 N6 Pb3 -","- C81 H102 Cl6 N6 Pb3 -","- C324 H408 Cl24 N24 Pb12 -","4","0.5","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.0248","0.0244","","","0.061","0.0613","","","","","","1.11","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7710966","11.7933","0.0003","15.7809","0.0003","37.6134","0.0008","90","","90","","90","","7000.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 Pb -","- C19 H22 N2 Pb -","- C304 H352 N32 Pb16 -","16","2","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0898","0.056","","","0.0781","0.0855","","","","","","1.069","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7710967","11.1728","0.0002","10.3375","0.0001","20.4224","0.0003","90","","101.047","0.001","90","","2315.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 I2 N Pb -","- C20 H31 I2 N Pb -","- C80 H124 I8 N4 Pb4 -","4","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0148","0.0138","","","0.0339","0.0342","","","","","","1.087","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7710968","10.3251","0.0004","37.2721","0.001","12.1542","0.0004","90","","114.541","0.004","90","","4254.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H55 Cl2 N2 Pb -","- C48 H55 Cl2 N2 Pb -","- C192 H220 Cl8 N8 Pb4 -","4","1","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0375","0.0319","","","0.0548","0.0559","","","","","","1.201","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7710969","13.3808","0.0009","16.7352","0.001","18.344","0.0013","79.021","0.002","79.406","0.002","77.174","0.002","3888.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H109.5 Cl1.5 N10 O Zn2 -","- C85 H109 N10 O Zn2 -","- C170 H218 N20 O2 Zn4 -","2","1","","Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT01745H","","","0.71073","MoKα","","0.1954","0.0977","","","0.1867","0.2247","","","","","","1.029","","","","has coordinates,has disorder","277249","2022-08-15","22:54:04",""
"7710970","14.3576","0.0014","15.2387","0.0015","20.936","0.002","82.666","0.002","75.427","0.002","65.717","0.002","4039.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H114 Cl3 N10 O Zn2 -","- C87 H113 N10 O Zn2 -","- C174 H226 N20 O2 Zn4 -","2","1","","Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT01745H","","","0.71073","MoKα","","0.1624","0.1182","","","0.2339","0.2525","","","","","","1.172","","","","has coordinates","277249","2022-08-15","22:54:05",""
"7710971","13.081","0.005","13.646","0.005","24.542","0.005","89.413","0.005","82.566","0.005","75.912","0.005","4212","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H121 Cl3 N11 O2 Zn2 -","- C91 H121 Cl3 N11 O2 Zn2 -","- C182 H242 Cl6 N22 O4 Zn4 -","2","1","","Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT01745H","","","0.71069","MoKα","","0.1268","0.0724","","","0.1512","0.193","","","","","","1.035","","","","has coordinates,has disorder","277249","2022-08-15","22:54:05",""
"7710972","13.539","0.005","16.712","0.005","20.84","0.005","97.005","0.005","107.972","0.005","113.04","0.005","3966","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H111 Cl2 N9 O2 Zn2 -","- C86 H109 N9 O2 Zn2 -","- C172 H218 N18 O4 Zn4 -","2","1","","Chandel, Dolly; Pal, Chandrani; Saha, Bapan; Ikbal, Sk Asif; Rath, Sankar Prasad","Induction and Rationalization of Supramolecular Chirality in Highly-Flexible Zn(II)porphyrin Dimer: Structural, Spectroscopic and Theoretical Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT01745H","","","0.71073","MoKα","","0.2168","0.1194","","","0.2878","0.3348","","","","","","1.04","","","","has coordinates,has disorder","277249","2022-08-15","22:54:05",""
"7710973","10.821","0.0003","12.6112","0.0004","19.3792","0.0005","82.496","0.002","77.379","0.002","85.977","0.002","2556.23","0.13","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","(1E,1'E,1''E,1'''E)-1,1',1'',1'''-(naphthalene-1,8-diylbis(pyridine-4,2,6-triyl))tetrakis(N-neopentylethan-1-imine)","","- C54 H80 N6 -","- C54 H80 N6 -","- C108 H160 N12 -","2","1","","Stephan, Michel; Dammannn, Wiebke; Burger, Peter","Synthesis and Reactivity of Dinuclear Copper(I) Pyridine, Diimine Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02307E","","x-ray","1.54184","CuKα","","0.0753","0.0554","","","0.1503","0.1656","","","","","","1.027","","","","has coordinates","277250","2022-08-15","22:57:29",""
"7710974","14.0607","0.0019","18.845","0.003","19.069","0.003","93.893","0.002","99.6","0.002","94.627","0.002","4948.8","1.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C104 H102 B Cl Cu2 F23.97 N6 -","- C104 H102 B Cl Cu2 F23.97 N6 -","- C208 H204 B2 Cl2 Cu4 F47.94 N12 -","2","1","","Stephan, Michel; Dammannn, Wiebke; Burger, Peter","Synthesis and Reactivity of Dinuclear Copper(I) Pyridine, Diimine Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02307E","","","0.71073","MoKα","","0.1554","0.0629","","","0.1011","0.1273","","","","","","0.995","","","","has coordinates,has disorder","277250","2022-08-15","22:57:30",""
"7710975","12.9709","0.0003","18.3585","0.0003","24.0138","0.0004","111.206","0.001","92.281","0.002","99.549","0.002","5226.17","0.18","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H70 Cl3 Cu3 N6 O0.5 -","- C50 H70 Cl3 Cu3 N6 O0.5 -","- C200 H280 Cl12 Cu12 N24 O2 -","4","2","","Stephan, Michel; Dammannn, Wiebke; Burger, Peter","Synthesis and Reactivity of Dinuclear Copper(I) Pyridine, Diimine Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02307E","","x-ray","1.54184","CuKα","","0.0564","0.0476","","","0.1188","0.1268","","","","","","1.069","","","","has coordinates,has disorder","277250","2022-08-15","22:57:30",""
"7710976","25.448","0.002","11.4613","0.0009","37.179","0.003","90","","104.453","0.001","90","","10500.7","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 Cl5 Cu3 N6 -","- C49 H68 Cl5 Cu3 N6 -","- C392 H544 Cl40 Cu24 N48 -","8","2","","Stephan, Michel; Dammannn, Wiebke; Burger, Peter","Synthesis and Reactivity of Dinuclear Copper(I) Pyridine, Diimine Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02307E","","","0.71073","MoKα","","0.075","0.0411","","","0.0833","0.0942","","","","","","1.033","","","","has coordinates,has disorder","277250","2022-08-15","22:57:31",""
"7710977","7.149","0.0002","12.4532","0.0004","12.456","0.0004","98.008","0.002","94.863","0.002","95.21","0.002","1088.23","0.06","99.99","0.1","99.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","1","0.5","","Liu, Xiao-Lin; Zhang, Xiao-Yi; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lansun","Thermal Induced Charge Transfer in Quinoid-bridged Linear Cu3 Compound","Dalton Transactions","2022","","","","","10.1039/D2DT01980A","","x-ray","1.54184","CuKα","","0.0422","0.0392","","","0.1078","0.1093","","","","","","1.111","","","","has coordinates","277251","2022-08-15","22:58:08",""
"7710978","7.2675","0.0002","12.4908","0.0003","12.5292","0.0003","98.477","0.002","95.12","0.002","95.417","0.002","1113.75","0.05","299.99","0.1","299.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","- C34 H30 Br2 Cl8 Cu3 N2 O18 -","1","0.5","","Liu, Xiao-Lin; Zhang, Xiao-Yi; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lansun","Thermal Induced Charge Transfer in Quinoid-bridged Linear Cu3 Compound","Dalton Transactions","2022","","","","","10.1039/D2DT01980A","","x-ray","1.54184","CuKα","","0.0643","0.0608","","","0.1736","0.1795","","","","","","1.073","","","","has coordinates","277251","2022-08-15","22:58:09",""
"7710979","10.8009","0.0007","7.8664","0.0005","19.3106","0.0012","90","","92.231","0.002","90","","1639.47","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 K O P S2 -","- C15 H14 K O P S2 -","- C60 H56 K4 O4 P4 S8 -","4","1","","Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.","Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines","Dalton Transactions","2022","","","","","10.1039/D2DT01127A","","","0.71073","MoKα","","0.0268","0.0233","","","0.064","0.0659","","","","","","1.077","","","","has coordinates,has disorder","277252","2022-08-15","22:59:01",""
"7710980","10.8987","0.0007","14.6186","0.0011","14.7512","0.001","90","","91.544","0.002","90","","2349.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Br O P S2 Sn -","- C22 H22 Br O P S2 Sn -","- C88 H88 Br4 O4 P4 S8 Sn4 -","4","1","","Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.","Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines","Dalton Transactions","2022","","","","","10.1039/D2DT01127A","","","0.71073","MoKα","","0.0363","0.0267","","","0.0642","0.0686","","","","","","1.037","","","","has coordinates","277252","2022-08-15","22:59:03",""
"7710981","40.622","0.002","11.093","0.0007","17.1001","0.0009","90","","90","","90","","7705.6","0.7","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C36 H33 Cl O2 P2 S4 Sn -","- C36 H33 Cl O2 P2 S4 Sn -","- C288 H264 Cl8 O16 P16 S32 Sn8 -","8","2","","Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.","Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines","Dalton Transactions","2022","","","","","10.1039/D2DT01127A","","","0.71073","MoKα","","0.0368","0.0336","","","0.0739","0.0754","","","","","","1.106","","","","has coordinates,has disorder","277252","2022-08-15","22:59:03",""
"7710982","52.0552","0.0006","51.4324","0.0005","7.14602","0.00008","90","","90","","90","","19132.2","0.4","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H23 Au N10 O2 S4 -","- C49 H23 Au N10 O2 S4 -","- C784 H368 Au16 N160 O32 S64 -","16","1","","Sahu, Kasturi; Angeloni, Sara; Conradie, Jeanet; Villa, Marco; Nayak, Manisha; Ghosh, Abhik; Ceroni, Paola; Kar, Sanjib","NIR-emissive, singlet-oxygen-sensitizing gold tetra(thiocyano)corroles","Dalton Transactions","2022","","","","","10.1039/D2DT01959K","","x-ray","1.54184","CuKα","","0.079","0.0707","","","0.1601","0.1633","","","","","","1.053","","","","has coordinates","277253","2022-08-15","22:59:43",""
"7710983","35.7181","0.0013","5.468","0.0002","11.2106","0.0004","90","","92.986","0.002","90","","2186.53","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N6 O9 -","- C6 H4 N6 O9 -","- C48 H32 N48 O72 -","8","1","","Zhilin, Egor; Ananyev, Ivan V.; Pivkina, Alla N.; Fershtat, Leonid","Renaissance of Dinitroazetidine: Novel Hybrid Energetic Boosters and Oxidizers","Dalton Transactions","2022","","","","","10.1039/D2DT02445D","","","0.71073","MoKα","","0.0509","0.0389","","","0.0914","0.095","","","","","","1.03","","","","has coordinates","277264","2022-08-16","22:46:35",""
"7710984","8.5418","0.0005","7.1633","0.0004","9.5501","0.0005","90","","101.779","0.0016","90","","572.04","0.06","140","2","140","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C5 H6 N6 O10 -","- C5 H6 N6 O10 -","- C10 H12 N12 O20 -","2","1","","Zhilin, Egor; Ananyev, Ivan V.; Pivkina, Alla N.; Fershtat, Leonid","Renaissance of Dinitroazetidine: Novel Hybrid Energetic Boosters and Oxidizers","Dalton Transactions","2022","","","","","10.1039/D2DT02445D","","","0.71073","MoKα","","0.053","0.0352","","","0.0741","0.0799","","","","","","0.986","","","","has coordinates","277264","2022-08-16","22:46:36",""
"7710985","10.63212","0.00019","12.3333","0.0002","22.3815","0.0003","85.9555","0.0013","79.6473","0.0013","73.0909","0.0016","2761.75","0.08","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H55 Cl2 F6 Fe N6 O P3 Ru -","- C58 H55 Cl2 F6 Fe N6 O P3 Ru -","- C116 H110 Cl4 F12 Fe2 N12 O2 P6 Ru2 -","2","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","","1.3405","GaKα","","0.0443","0.037","","","0.0967","0.1005","","","","","","1.019","","","","has coordinates,has disorder","277265","2022-08-16","22:48:28",""
"7710986","9.8616","0.0001","41.2452","0.0003","15.2968","0.0001","90","","108.013","0.001","90","","5916.92","0.09","99.99","0.1","99.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H63 F12 Fe N6 O P4 Ru -","- C61 H63 F12 Fe N6 O P4 Ru -","- C244 H252 F48 Fe4 N24 O4 P16 Ru4 -","4","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","x-ray","1.3405","GaKα","","0.045","0.0437","","","0.1097","0.1107","","","","","","1.066","","","","has coordinates","277265","2022-08-16","22:48:29",""
"7710987","28.1279","0.0006","19.5282","0.0004","36.8338","0.0007","90","","90","","90","","20232.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H85 F24 Fe2 N7 P8 Ru -","- C90 H85 F24 Fe2 N7 P8 Ru -","- C720 H680 F192 Fe16 N56 P64 Ru8 -","8","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","x-ray","1.3405","GaKα","","0.0964","0.0622","","","0.1531","0.1715","","","","","","1.052","","","","has coordinates","277265","2022-08-16","22:48:29",""
"7710988","11.874","0.004","15.236","0.005","31.642","0.012","95.91","0.03","99.87","0.02","108.389","0.017","5276","3","293","2","293.15","","","","","","","","","8","P -1","-P 1","2","","","","- C88 H82 F12 Fe2 N6 O1.33 P6 Ru -","- C88 H82 F12 Fe2 N6 O1.32 P6 Ru -","- C176 H164 F24 Fe4 N12 O2.64 P12 Ru2 -","2","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","","0.71073","MoKα","","0.1235","0.1114","","","0.2891","0.3061","","","","","","0.918","","","","has coordinates,has disorder","277265","2022-08-16","22:48:29",""
"7710989","36.99","0.006","13.55","0.002","18.366","0.003","90","","91.345","0.002","90","","9203","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 F12 Fe2 N6 P6 Ru -","- C88 H82 F12 Fe2 N6 P6 Ru -","- C352 H328 F48 Fe8 N24 P24 Ru4 -","4","0.5","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","","0.71073","MoKα","","0.0509","0.0484","","","0.1317","0.1355","","","","","","1.047","","","","has coordinates","277265","2022-08-16","22:48:33",""
"7710990","14.555","0.003","16.261","0.003","24.871","0.005","73.893","0.006","85.45","0.007","87.854","0.008","5636.8","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H88 F24 Fe2 N8 P8 Ru -","- C92 H88 F24 Fe2 N8 P8 Ru -","- C184 H176 F48 Fe4 N16 P16 Ru2 -","2","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","","0.71073","MoKα","","0.0737","0.0625","","","0.1674","0.1794","","","","","","1.063","","","","has coordinates,has disorder","277265","2022-08-16","22:48:44",""
"7710991","8.574","0.0006","9.6486","0.0006","11.136","0.0005","68.656","0.005","89.217","0.005","64.833","0.006","765.65","0.1","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 O4 S4 -","- C30 H28 N2 O4 S4 -","- C30 H28 N2 O4 S4 -","1","0.5","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","","0.0498","0.0465","","","0.1252","0.1287","","","","","","1.037","","","","has coordinates","277266","2022-08-16","22:50:37",""
"7710992","13.9005","0.0007","13.9005","0.0007","37.791","0.002","90","","90","","120","","6323.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H36 Co N3 O3 S6 -","- C42 H36 Co N3 O3 S6 -","- C252 H216 Co6 N18 O18 S36 -","6","0.333333","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.1003","0.0596","","","0.1474","0.1671","","","","","","1.048","","","","has coordinates,has disorder","277266","2022-08-16","22:50:38",""
"7710993","15.6733","0.0003","15.6733","0.0003","32.6686","0.0007","90","","90","","120","","6950","0.2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C45 H42 Co N3 S6 -","- C45 H42 Co N3 S6 -","- C270 H252 Co6 N18 S36 -","6","0.5","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.0538","0.0454","","","0.1157","0.1203","","","","","","1.044","","","","has coordinates","277266","2022-08-16","22:50:38",""
"7710994","11.5301","0.0002","15.3915","0.0003","25.5188","0.0005","72.472","0.002","81.684","0.001","74.729","0.002","4155.45","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N S2 -","- C17 H11 N S2 -","- C204 H132 N12 S24 -","12","6","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.0835","0.0523","","","0.113","0.1271","","","","","","1.015","","","","has coordinates","277266","2022-08-16","22:50:38",""
"7710995","11.8983","0.0003","12.7382","0.0003","18.6419","0.0007","90","","104.692","0.003","90","","2733.04","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 S4 -","- C30 H28 N2 S4 -","- C120 H112 N8 S16 -","4","1","","Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme","Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2","Dalton Transactions","2022","","","","","10.1039/D2DT01767A","","x-ray","0.71075","MoKα","K-L~3~","0.053","0.039","","","0.0952","0.1037","","","","","","1.072","","","","has coordinates,has disorder","277266","2022-08-16","22:50:38",""
"7710996","10.491","0.0014","9.5103","0.0012","25.965","0.004","90","","92.001","0.004","90","","2589","0.6","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Co2","","- C42 H38 Cl4 Co2 N14 O24 -","- C42 H38 Cl4 Co2 N14 O24 -","- C84 H76 Cl8 Co4 N28 O48 -","2","0.5","","Yang, Qianqian; Wang, Guo-Lu; Zhang, Yi-Quan; Tang, Jinkui","Self-assembly of fish-bone and grid-like CoII-based single-molecule magnets using dihydrazone ligands with NNN and NNO pockets","Dalton Transactions","2022","","","","","10.1039/D2DT02451A","","","0.71073","MoKα","","0.1701","0.0895","","","0.2318","0.3228","","","","","","1.026","","","","has coordinates","277267","2022-08-16","22:51:37",""
"7710997","10.4794","0.0003","11.2095","0.0003","15.2781","0.0004","89.526","0.002","75.536","0.002","72.661","0.001","1654.59","0.08","173","","173","","","","","","","","","6","P -1","-P 1","2","","Co2","","- C54 H54 Cl4 Co2 N22 O24 -","- C54 H54 Cl4 Co2 N22 O24 -","- C54 H54 Cl4 Co2 N22 O24 -","1","0.5","","Yang, Qianqian; Wang, Guo-Lu; Zhang, Yi-Quan; Tang, Jinkui","Self-assembly of fish-bone and grid-like CoII-based single-molecule magnets using dihydrazone ligands with NNN and NNO pockets","Dalton Transactions","2022","","","","","10.1039/D2DT02451A","","","1.54178","CuKα","","0.105","0.0933","","","0.2643","0.2776","","","","","","1.05","","","","has coordinates","277267","2022-08-16","22:51:37",""
"7710998","36.8996","0.0009","19.0503","0.0005","21.1241","0.0005","90","","90","","90","","14849.2","0.6","180","","180","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Co4","","- C84 H76 Cl8 Co4 N28 O48 -","- C84 H76 Cl8 Co4 N28 O48 -","- C336 H304 Cl32 Co16 N112 O192 -","4","0.5","","Yang, Qianqian; Wang, Guo-Lu; Zhang, Yi-Quan; Tang, Jinkui","Self-assembly of fish-bone and grid-like CoII-based single-molecule magnets using dihydrazone ligands with NNN and NNO pockets","Dalton Transactions","2022","","","","","10.1039/D2DT02451A","","","0.71073","MoKα","","0.1484","0.1167","","","0.3635","0.4058","","","","","","1.682","","","","has coordinates","277267","2022-08-16","22:51:37",""
"7710999","13.519","0.0004","16.6351","0.0005","16.6347","0.0005","90","","92.032","0.001","90","","3738.62","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-(Trimethylsilyl)ethylsulfanyl)-5-(2-(5-(2-trimethylsilyl)ethylsulfanyl)-1-(2,6-dimethylphenyl)-3H-1,2,3-triazole-4-yl)disulfanyl)-1-(2,6-dimethylphenyl)-1H-1,2,3-triazole)","","- C30 H44 N6 S4 Si2 -","- C30 H44 N6 S4 Si2 -","- C120 H176 N24 S16 Si8 -","4","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0578","0.0383","","","0.0893","0.0989","","","","","","1.017","","","","has coordinates","277294","2022-08-17","22:57:58",""
"7711000","7.7879","0.0004","8.0677","0.0004","17.5632","0.0008","82.267","0.002","84.301","0.002","80.255","0.002","1074.38","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-(2,6-Dimethylphenyl)-4,5-bis(benzylsulfanyl)-1H-1,2,3-triazole","","- C24 H23 N3 S2 -","- C24 H23 N3 S2 -","- C48 H46 N6 S4 -","2","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0554","0.0389","","","0.0959","0.1058","","","","","","1.021","","","","has coordinates","277294","2022-08-17","22:57:58",""
"7711001","8.5292","0.0005","8.8087","0.0006","15.217","0.001","82.215","0.002","75.818","0.002","67.935","0.002","1026.04","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4,5-bis(benzylsulfanyl)-1H-1,2,3-triazole","","- C23 H21 N3 S2 -","- C23 H21 N3 S2 -","- C46 H42 N6 S4 -","2","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0554","0.0385","","","0.0925","0.1026","","","","","","1.03","","","","has coordinates","277294","2022-08-17","22:57:59",""
"7711002","7.7274","0.0005","8.8234","0.0005","14.3988","0.0008","99.292","0.003","102.649","0.003","93.06","0.003","941.32","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[Bis(η5-cyclopentadienyl)(1-(2,6-dimethylphenyl)-1H-1,2,3-triazole-4,5-dithiolato)- titanium(IV)]","","- C20 H19 N3 S2 Ti -","- C20 H19 N3 S2 Ti -","- C40 H38 N6 S4 Ti2 -","2","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0727","0.0371","","","0.0738","0.0858","","","","","","1.014","","","","has coordinates,has disorder","277294","2022-08-17","22:57:59",""
"7711003","9.3214","0.0007","11.2004","0.0009","17.4208","0.0015","73.09","0.004","85.479","0.004","67.171","0.004","1602.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[(1,2-Bis(diphenylphosphino)ethane)(1-(2,6-dimethylphenyl)-1H-1,2,3-triazole-4,5-dithiolato)nickel(II)]","","- C36 H33 N3 Ni P2 S2 -","- C36 H33 N3 Ni P2 S2 -","- C72 H66 N6 Ni2 P4 S4 -","2","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0546","0.0366","","","0.0882","0.1007","","","","","","1.039","","","","has coordinates","277294","2022-08-17","22:57:59",""
"7711004","12.1647","0.0013","9.8068","0.0012","17.4762","0.0018","90","","103.615","0.004","90","","2026.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-n-butylammonium[bis(1-(2,6-dimethylphenyl)-1H-1,2,3-triazole-4,5- dithiolato)nickelate(II)]","","- C36 H58 N8 Ni S4 -","- C36 H58 N8 Ni S4 -","- C72 H116 N16 Ni2 S8 -","2","0.5","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0863","0.0441","","","0.0914","0.1096","","","","","","1.009","","","","has coordinates,has disorder","277294","2022-08-17","22:57:59",""
"7711005","11.3911","0.0004","28.1153","0.001","11.9438","0.0003","90","","110.17","0.001","90","","3590.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[(1,2-Bis(diphenylphosphino)ethane)(1-benzyl-1H-1,2,3-triazole-4,5-dithiolato)palladium(II)]","","- C36 H32 Cl3 N3 P2 Pd S2 -","- C36 H32 Cl3 N3 P2 Pd S2 -","- C144 H128 Cl12 N12 P8 Pd4 S8 -","4","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0376","0.0316","","","0.066","0.0684","","","","","","1.173","","","","has coordinates,has disorder","277294","2022-08-17","22:57:59",""
"7711006","26.082","0.002","7.5934","0.0006","15.7003","0.0017","90","","98.061","0.004","90","","3078.7","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium-bis(2,6-dimethylphenyl-1H-1,2,3-triazole-4,5-dithiolato)nickelate","","- C28 H38 N7 Ni S4 -","- C28 H38 N7 Ni S4 -","- C112 H152 N28 Ni4 S16 -","4","0.5","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.0912","0.0529","","","0.0999","0.1146","","","","","","1.03","","","","has coordinates","277294","2022-08-17","22:57:59",""
"7711007","9.9178","0.0004","16.95","0.0007","20.6572","0.0009","90","","96.336","0.002","90","","3451.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(1,2-Bis(diphenylphosphino)ethane)(1-benzyl-1H-1,2,3-triazole-4,5-dithiolato)nickel(II)]","","- C36 H33 Cl2 N3 Ni P2 S2 -","- C35 H31 N3 Ni P2 S2 -","- C140 H124 N12 Ni4 P8 S8 -","4","1","","Schallenberg, David; Pardemann, Nils; Villinger, Alexander; Seidel, Wolfram Willy","Synthesis and Coordination Behaviour of 1H-1,2,3-Triazole-4,5-Dithiolates","Dalton Transactions","2022","","","","","10.1039/D2DT00410K","","","0.71073","MoKα","","0.1","0.0558","","","0.1209","0.1334","","","","","","1.007","","","","has coordinates,has disorder","277294","2022-08-17","22:58:00",""
"7711008","7.2712","0.0006","22.7869","0.0018","4.5046","0.0004","90","","90","","90","","746.36","0.11","199.99","","199.99","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Sb12 Yb10 Zn6 -","- Sb12 Yb10 Zn6 -","- Sb12 Yb10 Zn6 -","1","0.0625","","Janzen, Ryan; Baranets, Sviatoslav; Bobev, Svilen","Synthesis and structural characterization of the new Zintl phases Eu10Mn6Bi12 and Yb10Zn6Sb12","Dalton Transactions","2022","","","","","10.1039/D2DT02011D","","","0.71073","MoKα","","0.0272","0.025","","","0.0545","0.0554","","","","","","1.159","","","","has coordinates","277295","2022-08-17","22:59:10",""
"7711009","7.798","0.003","23.903","0.009","4.7623","0.0017","90","","90","","90","","887.7","0.6","200","2","200.15","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Bi12 Eu10 Mn6.47 -","- Bi12 Eu10 Mn6.472 -","- Bi12 Eu10 Mn6.472 -","1","0.0625","","Janzen, Ryan; Baranets, Sviatoslav; Bobev, Svilen","Synthesis and structural characterization of the new Zintl phases Eu10Mn6Bi12 and Yb10Zn6Sb12","Dalton Transactions","2022","","","","","10.1039/D2DT02011D","","","0.71073","MoKα","","0.0521","0.0353","","","0.0637","0.0695","","","","","","1.039","","","","has coordinates","277295","2022-08-17","22:59:10",""
"7711010","12.4654","0.0005","14.3776","0.0006","16.9641","0.0006","74.143","0.002","72.291","0.002","89.349","0.002","2777.51","0.19","200.15","","200.15","","","","","","","","","5","P -1","-P 1","2","","Cu4L4","","- C100 H123 Cu4 N14 O21 -","- C100 H123.4 Cu4 N14 O21 -","- C100 H123.4 Cu4 N14 O21 -","1","0.5","","Zhu, Zhenhua; Zhao, Chen; Liu, Shuting; Li, Xiao-Lei; Mansikkamäki, Akseli; Tang, Jinkui","Oligopyrrolic Cu(II)-based tetragonal cage: synthesis, structure, spectral and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02491H","","x-ray","0.71073","MoKα","","0.0918","0.0542","","","0.1129","0.131","","","","","","1.019","","","","has coordinates,has disorder","277296","2022-08-17","22:59:35",""
"7711011","11.853","0.0005","24.4713","0.0009","16.8584","0.0006","90","","108.606","0.002","90","","4634.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 N2 O P2 -","- C58 H59 N2 O P2 -","- C232 H236 N8 O4 P8 -","4","1","","Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas","Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2","Dalton Transactions","2022","","","","","10.1039/D2DT02229J","","","0.71073","MoKα","","0.0805","0.0489","","","0.1099","0.1299","","","","","","1.014","","","","has coordinates,has disorder","277312","2022-08-18","22:53:57",""
"7711012","12.06","0.003","24.498","0.006","16.669","0.004","90","","110.821","0.005","90","","4603","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 Cl N2 O P2 -","- C55 H55 Cl N2 O P2 -","- C220 H220 Cl4 N8 O4 P8 -","4","1","","Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas","Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2","Dalton Transactions","2022","","","","","10.1039/D2DT02229J","","","0.71073","MoKα","","0.0756","0.0487","","","0.1139","0.1269","","","","","","1.016","","","","has coordinates","277312","2022-08-18","22:53:57",""
"7711013","11.909","0.005","21.941","0.009","16.937","0.007","90","","108.673","0.009","90","","4193","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 N2 O P2 -","- C51 H56 N2 O P2 -","- C204 H224 N8 O4 P8 -","4","1","","Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas","Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2","Dalton Transactions","2022","","","","","10.1039/D2DT02229J","","","0.71073","MoKα","","0.0678","0.0464","","","0.1135","0.1272","","","","","","1.047","","","","has coordinates","277312","2022-08-18","22:53:57",""
"7711014","16.7499","0.0016","17.111","0.0017","17.9527","0.0017","90","","94.172","0.002","90","","5131.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 K N2 O2 P2 -","- C59 H65 K N2 O2 P2 -","- C236 H260 K4 N8 O8 P8 -","4","1","","Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas","Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2","Dalton Transactions","2022","","","","","10.1039/D2DT02229J","","","0.71073","MoKα","","0.0797","0.0498","","","0.1129","0.129","","","","","","1.032","","","","has coordinates","277312","2022-08-18","22:53:57",""
"7711015","12.0792","0.0009","16.7878","0.0011","27.1163","0.0019","73.506","0.002","78.572","0.002","70.114","0.002","4926.5","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H59 N3 O3 P2 -","- C55 H55 N3 O3 P2 -","- C220 H220 N12 O12 P8 -","4","2","","Rosenboom, Jan; Villinger, Alexander; Schulz, Axel; Bresien, Jonas","Concerted addition of aldehydes to the singlet biradical [P(μ-NTer)]2","Dalton Transactions","2022","","","","","10.1039/D2DT02229J","","","0.71073","MoKα","","0.0897","0.0714","","","0.1695","0.1788","","","","","","1.115","","","","has coordinates","277312","2022-08-18","22:53:58",""
"7711016","14.182","0.0002","15.546","0.0002","15.0156","0.0002","90","","102.755","0.001","90","","3228.85","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cu N O2 -","- C38 H46 Cu N O2 -","- C152 H184 Cu4 N4 O8 -","4","1","","Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.","Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper","Dalton Transactions","2022","","","","","10.1039/D2DT02276A","","x-ray","1.54184","CuKα","","0.041","0.0355","","","0.094","0.0985","","","","","","1.033","","","","has coordinates","277313","2022-08-18","22:55:30",""
"7711017","13.3647","0.0002","24.9607","0.0004","21.288","0.0004","90","","105.635","0.002","90","","6838.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85.5 H68.5 Cl4.5 Cu N2 O2 -","- C84 H67 Cu N2 O2 -","- C336 H268 Cu4 N8 O8 -","4","1","","Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.","Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper","Dalton Transactions","2022","","","","","10.1039/D2DT02276A","","x-ray","1.54184","CuKα","","0.0591","0.048","","","0.0928","0.0994","","","","","","1.048","","","","has coordinates,has disorder","277313","2022-08-18","22:55:30",""
"7711018","18.4417","0.0001","18.3074","0.0001","34.0176","0.0002","90","","90","","90","","11485","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H63 Cu N2 O2 -","- C74 H63 Cu N2 O2 -","- C592 H504 Cu8 N16 O16 -","8","1","","Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.","Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper","Dalton Transactions","2022","","","","","10.1039/D2DT02276A","","x-ray","1.54184","CuKα","","0.0502","0.0418","","","0.113","0.1194","","","","","","1.027","","","","has coordinates,has disorder","277313","2022-08-18","22:55:30",""
"7711019","14.2453","0.0001","16.5937","0.0001","16.2304","0.0001","90","","90.727","0.001","90","","3836.27","0.04","293.15","0.01","293.15","0.01","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cu N2 O2 -","- C42 H49 Cu N2 O2 -","- C168 H196 Cu4 N8 O8 -","4","1","","Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.","Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper","Dalton Transactions","2022","","","","","10.1039/D2DT02276A","","x-ray","1.54184","CuKα","","0.0505","0.0412","","","0.1146","0.1253","","","","","","1.032","","","","has coordinates","277313","2022-08-18","22:55:31",""
"7711020","10.0187","0.0012","15.8538","0.0019","19.991","0.002","90","","101.629","0.0018","90","","3110.1","0.6","133","2","133","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H39 I N Si U -","- C23 H39 I N Si U -","- C92 H156 I4 N4 Si4 U4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Identification of the U(v) complex (C5Me5)2UVI(NSiMe3) in the reaction of (C5Me5)2UIIII(THF) with N3SiMe3","Dalton Transactions","2022","","","","","10.1039/D2DT01926D","","","0.71073","MoKα","","0.0911","0.067","","","0.1616","0.1737","","","","","","1.075","","","","has coordinates,has disorder","277314","2022-08-18","22:56:18",""
"7711021","11.94996","0.00008","12.97812","0.0001","19.21709","0.00012","90","","90","","90","","2980.34","0.04","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl N2 O2.5 Ru S2 -","- C28 H31 Cl N2 O2.5 Ru S2 -","- C112 H124 Cl4 N8 O10 Ru4 S8 -","4","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates,has disorder","277329","2022-08-19","22:59:25",""
"7711022","9.4094","0.00006","14.51707","0.0001","12.09559","0.00008","90","","102.911","0.0007","90","","1610.45","0.019","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H42 Cl N3 O3 Ru S -","- C34 H42 Cl N3 O3 Ru S -","- C68 H84 Cl2 N6 O6 Ru2 S2 -","2","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0425","0.0422","","","0.1128","0.1132","","","","","","1.065","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711023","9.78513","0.00004","11.79817","0.00005","14.04533","0.00005","90","","99.3866","0.0004","90","","1599.78","0.011","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32.5 H35 Cl N2 O2.75 Ru S2 -","- C32.5 H35 Cl N2 O2.75 Ru S2 -","- C65 H70 Cl2 N4 O5.5 Ru2 S4 -","2","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0373","0.0373","","","0.1064","0.1065","","","","","","1.084","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711024","12.0383","0.0001","12.8861","0.0001","18.521","0.0001","90","","90","","90","","2873.1","0.04","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl N2 O3 Ru S -","- C28 H31 Cl N2 O3 Ru S -","- C112 H124 Cl4 N8 O12 Ru4 S4 -","4","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0202","0.0198","","","0.0514","0.0517","","","","","","1.042","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711025","16.9078","0.0001","16.9078","0.0001","19.2787","0.0001","90","","90","","120","","4772.9","0.05","150","2","150","2","","","","","","","","7","P 65","P 65","170","","","","- C29 H34 Cl N3 O3 Ru S2 -","- C29 H34 Cl N3 O3 Ru S2 -","- C174 H204 Cl6 N18 O18 Ru6 S12 -","6","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0426","0.0424","","","0.1128","0.1132","","","","","","1.089","","","","has coordinates,has disorder","277329","2022-08-19","22:59:25",""
"7711026","12.3905","0.0002","11.4798","0.0002","14.2875","0.0003","90","","93.835","0.0009","90","","2027.71","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MAM-330","","","- C11 H9 N3 S -","- C11 H9 N3 S -","- C88 H72 N24 S8 -","8","2","","Ruiz, Javier; Mateo, María A.","First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof","Dalton Transactions","2022","","","","","10.1039/D2DT02119F","","","1.54178","CuKα","","0.0426","0.0349","","","0.0826","0.0889","","","","","","1.043","","","","has coordinates","277330","2022-08-19","23:03:18",""
"7711027","7.7732","0.0005","13.7109","0.0009","17.3515","0.0011","105.187","0.002","94.022","0.002","102.576","0.002","1725.93","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","MAM-320","","","- C25 H26 Au2 Cl2 F12 N6 O P2 -","- C25 H26 Au2 Cl2 F12 N6 O P2 -","- C50 H52 Au4 Cl4 F24 N12 O2 P4 -","2","1","","Ruiz, Javier; Mateo, María A.","First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof","Dalton Transactions","2022","","","","","10.1039/D2DT02119F","","","0.71073","MoKα","","0.0622","0.0419","","","0.0917","0.1032","","","","","","1.087","","","","has coordinates","277330","2022-08-19","23:03:18",""
"7711028","9.4325","0.0004","17.6857","0.0007","18.8379","0.0007","90","","95.545","0.002","90","","3127.8","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","MAM0524","","","- C25 H19 Au Cl3 F6 Mn N5 O3 P -","- C25 H19 Au Cl3 F6 Mn N5 O3 P -","- C100 H76 Au4 Cl12 F24 Mn4 N20 O12 P4 -","4","1","","Ruiz, Javier; Mateo, María A.","First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof","Dalton Transactions","2022","","","","","10.1039/D2DT02119F","","","0.71073","MoKα","","0.0444","0.0344","","","0.0861","0.0909","","","","","","1.095","","","","has coordinates","277330","2022-08-19","23:03:18",""
"7711029","17.3914","0.001","29.6294","0.0016","11.5114","0.0006","90","","90","","90","","5931.8","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","MAM610","","","- C44 H40 Cu F30 N12 P5 -","- C44 H40 Cu F30 N12 P5 -","- C176 H160 Cu4 F120 N48 P20 -","4","0.5","","Ruiz, Javier; Mateo, María A.","First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof","Dalton Transactions","2022","","","","","10.1039/D2DT02119F","","","0.71073","MoKα","","0.0655","0.0538","","","0.1208","0.1261","","","","","","1.123","","","","has coordinates,has disorder","277330","2022-08-19","23:03:19",""
"7711030","4.2535","0.0002","6.8733","0.0003","6.3242","0.0003","90","","106.316","0.005","90","","177.446","0.015","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- B2 O5 Th -","- B2 O5 Th -","- B4 O10 Th2 -","2","0.5","","Hao, Yucheng; Murphy, Gabriel L.; Kegler, Philip; Li, Yan; Kowalski, Piotr M.; Blouin, Simon; Zhang, Yang; Wang, Shuao; Robben, Lars; Gesing, Thorsten M.; Alekseev, Evgeny V.","Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5","Dalton Transactions","2022","","","","","10.1039/D2DT01049F","","","0.71073","MoKα","","0.0291","0.026","","","0.0517","0.0546","","","","","","1.036","","","","has coordinates","277331","2022-08-19","23:03:57",""
"7711031","13.392","0.0003","14.5002","0.0004","14.6064","0.0004","107.524","0.001","104.817","0.001","92.049","0.001","2595.16","0.12","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H52 Cl2 N6 O6 Pt2 -","- C63 H52 Cl2 N6 O6 Pt2 -","- C126 H104 Cl4 N12 O12 Pt4 -","2","1","","Gutierrez Suburu, Matias E.; Maisuls, Iván; Kösters, Jutta; Strassert, Cristian A.","Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from mechanochromic crystals to flexible polymer matrices","Dalton Transactions","2022","","","","","10.1039/D2DT01693A","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","277332","2022-08-19","23:04:31",""
"7711032","13.3761","0.0006","14.5201","0.0007","14.6042","0.0007","107.619","0.001","104.456","0.001","92.1","0.001","2598.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H52 Cl2 N6 O6 Pd2 -","- C63 H52 Cl2 N6 O6 Pd2 -","- C126 H104 Cl4 N12 O12 Pd4 -","2","1","","Gutierrez Suburu, Matias E.; Maisuls, Iván; Kösters, Jutta; Strassert, Cristian A.","Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from mechanochromic crystals to flexible polymer matrices","Dalton Transactions","2022","","","","","10.1039/D2DT01693A","","","0.71073","MoKα","","0.0284","0.0254","","","0.0645","0.0661","","","","","","1.033","","","","has coordinates","277332","2022-08-19","23:04:32",""
"7711033","13.91","0.003","15.955","0.003","23.692","0.004","90","","102.163","0.005","90","","5140","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H78 Li N4 O2 Si4 Y -","- C40 H78 Li N4 O2 Si4 Y -","- C160 H312 Li4 N16 O8 Si16 Y4 -","4","1","","Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming","Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT02642B","","","0.71073","MoKα","","0.1087","0.0521","","","0.1026","0.119","","","","","","1.013","","","","has coordinates","277333","2022-08-19","23:05:48",""
"7711034","13.9562","0.0007","15.9734","0.0008","23.9218","0.0012","90","","102.626","0.002","90","","5203.9","0.5","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H83 Li N4 Nd O2 Si4 -","- C44 H83 Li N4 Nd O2 Si4 -","- C176 H332 Li4 N16 Nd4 O8 Si16 -","4","1","","Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming","Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT02642B","","","0.71073","MoKα","","0.0617","0.0346","","","0.0692","0.077","","","","","","1.017","","","","has coordinates","277333","2022-08-19","23:05:49",""
"7711035","12.2861","0.0008","12.8406","0.0009","17.9613","0.0011","88.666","0.002","87.092","0.002","71.124","0.002","2677.7","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H82 Li N4 O2 Si4 Y -","- C44 H82 Li N4 O2 Si4 Y -","- C88 H164 Li2 N8 O4 Si8 Y2 -","2","1","","Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming","Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT02642B","","","0.71073","MoKα","","0.0517","0.0371","","","0.0923","0.0986","","","","","","1.039","","","","has coordinates","277333","2022-08-19","23:05:49",""
"7711036","12.118","0.002","24.77","0.005","18.258","0.003","90","","95.962","0.005","90","","5450.7","1.7","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H82 Li N4 Nd O2 Si4 -","- C44 H82 Li N4 Nd O2 Si4 -","- C176 H328 Li4 N16 Nd4 O8 Si16 -","4","1","","Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming","Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT02642B","","","0.71073","MoKα","","0.1197","0.063","","","0.1592","0.1833","","","","","","1.053","","","","has coordinates","277333","2022-08-19","23:05:49",""
"7711037","13.8829","","15.8417","","23.6738","","90","","102.109","","90","","5090.71","","120","2","119.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H164 Li2 N8 O4 Si8 Yb2 -","- C87 H164 Li2 N8 O4 Si8 Yb2 -","- C174 H328 Li4 N16 O8 Si16 Yb4 -","2","0.5","","Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming","Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions","Dalton Transactions","2022","","","","","10.1039/D2DT02642B","","","0.71073","MoKα","","0.0309","0.023","","","0.0606","0.0779","","","","","","1.2333","","","","has coordinates,has disorder","277333","2022-08-19","23:05:49",""
"7711038","16.358","0.019","8.262","0.01","20.2","0.02","90","","90","","90","","2730","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl5 N2 Pb2 -","- C5 H10 Cl5 N2 Pb2 -","- C40 H80 Cl40 N16 Pb16 -","8","1","","Wang, Yuyin; Sun, Chen; Su, Bin; Li, Xianfeng; Meng, Xiangxi; Lou, Huiru; Cheng, Ziwen; Wang, Ying; Lin, Guoming","Highly Efficient Broadband White-light Emission in Two-dimensional Semi-conductive Hybrid Lead–Chlorine Halide","Dalton Transactions","2022","","","","","10.1039/D2DT02108K","","","0.71073","MoKα","","0.0652","0.0368","","","0.082","0.0938","","","","","","1.061","","","","has coordinates","277334","2022-08-19","23:06:30",""
"7711039","11.866","0.003","12.902","0.003","12.921","0.003","95.897","0.01","94.85","0.009","92.366","0.014","1958.1","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H68 F12 N22 O2 Os P2 -","- C78 H68 F12 N22 O2 Os P2 -","- C78 H68 F12 N22 O2 Os P2 -","1","0.5","","Francis, Samuel; Rice, Craig; Scattergood, Paul A.; Elliott, Paul","Synthesis and characterisation of group 8 tris(1-benzyl-1,2,3-triazol-4-yl)-p-anisoylmethane complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02503E","","","0.71073","MoKα","","0.0445","0.0395","","","0.0993","0.1032","","","","","","1.046","","","","has coordinates,has disorder","277348","2022-08-22","22:50:52",""
"7711040","21.3382","0.0007","17.6313","0.0005","25.4672","0.0007","90","","90","","90","","9581.3","0.5","150","2","150","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C118 H102 B2 Br0 F0 Fe N18 O2 P0 Ru0 -","- C118 H102 B2 Fe N18 O2 -","- C472 H408 B8 Fe4 N72 O8 -","4","0.5","","Francis, Samuel; Rice, Craig; Scattergood, Paul A.; Elliott, Paul","Synthesis and characterisation of group 8 tris(1-benzyl-1,2,3-triazol-4-yl)-p-anisoylmethane complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02503E","","","0.71073","MoKα","","0.0951","0.0628","","","0.1267","0.1391","","","","","","1.09","","","","has coordinates","277348","2022-08-22","22:50:52",""
"7711041","11.4134","0.0004","11.7793","0.0004","21.3297","0.0007","105.174","0.001","93.806","0.001","98.627","0.001","2719.49","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H45 F12 N9 O3 P2 Ru -","- C51 H45 F12 N9 O3 P2 Ru -","- C102 H90 F24 N18 O6 P4 Ru2 -","2","1","","Francis, Samuel; Rice, Craig; Scattergood, Paul A.; Elliott, Paul","Synthesis and characterisation of group 8 tris(1-benzyl-1,2,3-triazol-4-yl)-p-anisoylmethane complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02503E","","","0.71073","MoKα","","0.0539","0.0402","","","0.0976","0.1046","","","","","","1.046","","","","has coordinates,has disorder","277348","2022-08-22","22:50:52",""
"7711042","17.119","0.002","19.603","0.002","21.41","0.002","103.695","0.009","112.951","0.01","95.721","0.01","6278.2","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H74 B2 O2 -","- C78 H74 B2 O2 -","- C312 H296 B8 O8 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","","0.71073","MoKα","","0.1898","0.1114","","","0.1909","0.2194","","","","","","1.159","","","","has coordinates,has disorder","277349","2022-08-22","22:52:12",""
"7711043","13.9949","0.0014","4.1803","0.0003","15.8146","0.0015","90","","106.946","0.007","90","","885.03","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10.27 B2 Br3.73 O2 -","- C18 H10.27 B2 Br3.73 O2 -","- C36 H20.54 B4 Br7.46 O4 -","2","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","","0.71073","MoKα","","0.0601","0.0449","","","0.098","0.1046","","","","","","1.081","","","","has coordinates,has disorder","277349","2022-08-22","22:52:13",""
"7711044","33.594","0.003","33.594","0.003","3.9159","0.0005","90","","90","","120","","3827.2","0.7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19.33 H14.67 B2 Br2 O2.33 -","- C18 H12 B2 Br2 O2 -","- C162 H108 B18 Br18 O18 -","9","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","","0.71073","MoKα","","0.0634","0.0446","","","0.0916","0.0978","","","","","","1.033","","","","has coordinates","277349","2022-08-22","22:52:13",""
"7711045","10.1295","0.0016","4.8835","0.0008","18.636","0.003","90","","102.228","0.013","90","","901","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H18 B2 O2 -","- C24 H18 B2 O2 -","- C48 H36 B4 O4 -","2","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","","0.71073","MoKα","","0.1653","0.0792","","","0.1138","0.1361","","","","","","1.013","","","","has coordinates","277349","2022-08-22","22:52:13",""
"7711046","4.0696","0.0005","10.3082","0.0015","11.2049","0.0015","70.378","0.0011","89.574","0.01","80.955","0.011","436.73","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 B2 Br4 O2 -","- C18 H10 B2 Br4 O2 -","- C18 H10 B2 Br4 O2 -","1","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Çevik, Enes Görkem; Bolte, Michael; Stöger, Berthold; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Late-stage derivatization of a (B,O)2-doped perylene","Dalton Transactions","2022","","","","","10.1039/D2DT02364D","","x-ray","0.71073","MoKα","","0.1031","0.0631","","","0.1406","0.1666","","","","","","1.034","","","","has coordinates","277349","2022-08-22","22:52:13",""
"7711047","10.1484","0.0009","19.9082","0.0016","10.3888","0.0008","90","","97.161","0.003","90","","2082.5","0.3","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F12 N14 O12 S4 -","- C24 H30 F12 N14 O12 S4 -","- C48 H60 F24 N28 O24 S8 -","2","0.5","","Zámbó, Greta Gundis; Mayr, Johannes; Sauer, Michael Johannes; Schlachta, Tim Pascal; Reich, Robert M.; Kühn, Fritz Elmar","The first macrocyclic abnormally coordinating tetra-1,2,3-triazole-5-ylidene iron complex: a promising candidate for olefin epoxidation","Dalton Transactions","2022","","","","","10.1039/D2DT02561B","","x-ray","0.71073","MoKα","","0.0559","0.043","","","0.0793","0.0837","","","","","","1.138","","","","has coordinates","277361","2022-08-23","22:50:39",""
"7711048","9.1316","0.0007","9.4899","0.0009","11.6931","0.001","112.44","0.003","109.71","0.003","94.233","0.004","857.48","0.13","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C24 H32 F12 Fe N16 P2 -","- C24 H32 F12 Fe N16 P2 -","- C24 H32 F12 Fe N16 P2 -","1","0.5","","Zámbó, Greta Gundis; Mayr, Johannes; Sauer, Michael Johannes; Schlachta, Tim Pascal; Reich, Robert M.; Kühn, Fritz Elmar","The first macrocyclic abnormally coordinating tetra-1,2,3-triazole-5-ylidene iron complex: a promising candidate for olefin epoxidation","Dalton Transactions","2022","","","","","10.1039/D2DT02561B","","x-ray","0.71073","MoKα","","0.0389","0.0316","","","0.0652","0.0686","","","","","","1.039","","","","has coordinates","277361","2022-08-23","22:50:40",""
"7711049","20.0011","0.0007","18.7057","0.0006","21.6215","0.0008","90","","99.277","0.002","90","","7983.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H106 Au2 Cl2 N11 O6 P5 -","- C74 H106 Au2 Cl2 N11 O6 P5 -","- C296 H424 Au8 Cl8 N44 O24 P20 -","4","1","","Gascón, Elena; Otal, Isabel; Maisanaba, Sara; Llana-Ruiz-Cabello, María; Valero, Eva; Repetto, Guillermo; Jones, P. G.; Oriol, Luis; Jiménez, Josefina","Gold(I) metallocyclophosphazenes with antibacterial potency and antitumor efficacy. Synergistic antibacterial action of a heterometallic gold and silver-cyclophosphazene.","Dalton Transactions","2022","","","","","10.1039/D2DT01963A","","","0.71073","MoKα","","0.0436","0.0259","","","0.0518","0.0559","","","","","","0.965","","","","has coordinates,has disorder","277362","2022-08-23","22:51:07",""
"7711050","9.8009","0.0008","9.9718","0.0009","12.206","0.0012","88.09","0.003","70.399","0.003","73.834","0.003","1076.98","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N10 O6 Zn -","- C48 H40 N10 O6 Zn -","- C48 H40 N10 O6 Zn -","1","0.5","","Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin","Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones","Dalton Transactions","2022","","","","","10.1039/D2DT02430F","","","0.71069","MoKα","","0.1479","0.0739","","","0.1476","0.1765","","","","","","1.017","","","","has coordinates","277392","2022-08-24","22:47:07",""
"7711051","9.8944","0.0006","11.3405","0.0006","18.1843","0.001","89.3","0.002","86.246","0.002","67.2918","0.0018","1878.02","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N10 O2 Zn -","- C44 H38 N10 O2 Zn -","- C88 H76 N20 O4 Zn2 -","2","1","","Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin","Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones","Dalton Transactions","2022","","","","","10.1039/D2DT02430F","","","0.71073","MoKα","","0.0731","0.0561","","","0.145","0.1538","","","","","","1.06","","","","has coordinates","277392","2022-08-24","22:47:08",""
"7711052","17.44","0.03","13.34","0.02","22.28","0.04","90","","105.95","0.03","90","","4984","14","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 N8 O8 S2 Zn -","- C48 H44 N8 O6 S2 Zn -","- C192 H176 N32 O24 S8 Zn4 -","4","0.5","","Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin","Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones","Dalton Transactions","2022","","","","","10.1039/D2DT02430F","","","0.71073","MoKα","","0.0773","0.0561","","","0.1367","0.1585","","","","","","1.048","","","","has coordinates,has disorder","277392","2022-08-24","22:47:08",""
"7711053","8.853","0.0008","9.659","0.0008","12.8829","0.0012","85.651","0.003","74.757","0.003","78.819","0.003","1042.34","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N5 O3 -","- C24 H21 N5 O3 -","- C48 H42 N10 O6 -","2","1","","Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin","Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones","Dalton Transactions","2022","","","","","10.1039/D2DT02430F","","","0.71073","MoKα","","0.0674","0.0451","","","0.102","0.1116","","","","","","1.068","","","","has coordinates","277392","2022-08-24","22:47:09",""
"7711054","24.3936","0.0019","10.9327","0.0007","17.3895","0.0012","90","","92.135","0.004","90","","4634.4","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24.4 N4 O4.2 S -","- C24 H22 N4 O3 S -","- C192 H176 N32 O24 S8 -","8","1","","Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin","Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones","Dalton Transactions","2022","","","","","10.1039/D2DT02430F","","","0.71073","MoKα","","0.081","0.05","","","0.1102","0.1249","","","","","","1.007","","","","has coordinates","277392","2022-08-24","22:47:09",""
"7711055","13.167","0.004","4.7846","0.0014","14.094","0.004","90","","91.147","0.016","90","","887.7","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C2 F4 K4 N0 O12 P4 Zr2 -","- C2 F4 K4 O12 P4 Zr2 -","- C4 F8 K8 O24 P8 Zr4 -","2","0.25","","Zhang, Jiarong; Chen, Long; Chen, Lanhua; Chen, Lei; Zhang, Yugang; Chen, Changlun; Chai, Zhifang; Wang, Shuao","A rare potassium-rich zirconium fluorophosphonate with high Eu3+ adsorption capacities from acidic solutions","Dalton Transactions","2022","","","","","10.1039/D2DT01291J","","","0.71073","MoKα","","0.1095","0.0583","","","0.1321","0.1661","","","","","","0.801","","","","has coordinates","277393","2022-08-24","22:47:57",""
"7711056","13.1201","0.0005","13.8478","0.0005","19.2251","0.0007","92.147","0.002","97.737","0.002","96.195","0.002","3436.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 F12 N3 P2 Ru -","- C27 H26 F12 N3 P2 Ru -","- C108 H104 F48 N12 P8 Ru4 -","4","2","","Georgakopoulou, Christina; Thomos, Dimitrios; Tsolis, Theodoros; Ypsilantis, Konstantinos; Plakatouras, John C.; Kordias, Dimitris; Magklara, Angeliki; Kouderis, Constantine; Kalampounias, Angelos G.; Garoufis, Achilleas","Synthesis, characterization, interactions with the DNA duplex dodecamer d(5΄-CGCGAATTCGCG-3΄)2 and cytotoxicity of binuclear η6-arene-Ru(II) complexes.","Dalton Transactions","2022","","","","","10.1039/D2DT02304K","","","0.71073","MoKα","","0.1029","0.0566","","","0.1502","0.1697","","","","","","1.029","","","","has coordinates,has disorder","277394","2022-08-24","22:48:30",""
"7711057","10.529","0.005","19.135","0.01","13.705","0.006","90","","99.104","0.014","90","","2726","2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 B2 Br3 N4 -","- C56 H82 B2 Br3 N4 -","- C112 H164 B4 Br6 N8 -","2","0.5","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0688","0.0554","","","0.1571","0.1669","","","","","","1.072","","","","has coordinates","277395","2022-08-24","22:52:48",""
"7711058","19.1631","0.0019","19.543","0.002","8.3341","0.0009","90","","90","","90","","3121.2","0.6","100","2","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H55 B N2 -","- C36 H55 B N2 -","- C144 H220 B4 N8 -","4","0.5","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0771","0.0649","","","0.1609","0.1717","","","","","","1.094","","","","has coordinates,has disorder","277395","2022-08-24","22:52:51",""
"7711059","19.306","0.0017","7.3776","0.0006","20.0281","0.0017","90","","106.909","0.005","90","","2729.3","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B Br N2 -","- C28 H42 B Br N2 -","- C112 H168 B4 Br4 N8 -","4","1","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.066","0.0417","","","0.0988","0.1076","","","","","","1.038","","","","has coordinates","277395","2022-08-24","22:52:51",""
"7711060","9.764","0.002","17.218","0.003","20.843","0.005","90","","102.176","0.008","90","","3425.2","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 B N2 O2 -","- C37 H56 B N2 O2 -","- C148 H224 B4 N8 O8 -","4","1","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0847","0.0594","","","0.1453","0.1601","","","","","","1.025","","","","has coordinates","277395","2022-08-24","22:52:51",""
"7711061","18.245","0.007","12.362","0.005","18.528","0.007","90","","106.59","0.01","90","","4005","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 B N2 O4 -","- C46 H55 B N2 O4 -","- C184 H220 B4 N8 O16 -","4","1","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0839","0.0544","","","0.1205","0.1359","","","","","","1.05","","","","has coordinates","277395","2022-08-24","22:52:51",""
"7711062","9.8912","0.0009","16.5219","0.0014","20.764","0.002","71.46","0.003","86.897","0.003","82.86","0.003","3191.8","0.5","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H108.5 B2 N4 -","- C72 H108.502 B2 N4 -","- C144 H217.004 B4 N8 -","2","1","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.098","0.082","","","0.1904","0.2004","","","","","","1.065","","","","has coordinates,has disorder","277395","2022-08-24","22:52:52",""
"7711063","10.3971","0.0015","18.854","0.003","13.6858","0.0018","90","","98.734","0.004","90","","2651.7","0.7","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 B Cl2 N2 -","- C28 H41 B Cl2 N2 -","- C112 H164 B4 Cl8 N8 -","4","1","","Kundu, Gargi; Dixit, Ruchi; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya Singha","Versatile chemistry of six-membered NHC with boranes: bromination at sp3 borane, activation of B–H bond of HBpin, and ring expansion of NHC","Dalton Transactions","2022","","","","","10.1039/D2DT01707E","","","0.71073","MoKα","","0.0355","0.0309","","","0.0899","0.0943","","","","","","1.057","","","","has coordinates","277395","2022-08-24","22:52:52",""
"7711064","14.2923","0.001","4.9794","0.0004","28.392","0.0017","90","","91.379","0.006","90","","2020","0.2","298.15","","298.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H4 As I S2 -","- C8 H4 As I S2 -","- C64 H32 As8 I8 S16 -","8","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0707","0.0735","","","","","","1.098","","","","has coordinates","277403","2022-08-25","22:49:36",""
"7711065","12.8863","0.0018","5.7947","0.0008","38.748","0.007","90","","90","","90","","2893.4","0.8","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H8 As F3 S2 -","- C15 H8 As F3 S2 -","- C120 H64 As8 F24 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1075","0.1169","","","","","","1.026","","","","has coordinates,has disorder","277403","2022-08-25","22:49:37",""
"7711066","10.7286","0.0006","16.4945","0.001","8.178","0.0006","90","","100.394","0.007","90","","1423.45","0.16","93.15","","93.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H11 As O S2 -","- C15 H11 As O S2 -","- C60 H44 As4 O4 S8 -","4","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0261","0.0253","","","0.0668","0.0672","","","","","","1.05","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711067","10.5637","0.0015","16.0021","0.0006","18.488","0.003","90","","135.57","0.03","90","","2187.8","1.3","101.15","","101.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 As S2 -","- C23 H27 As S2 -","- C92 H108 As4 S8 -","4","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0353","0.0304","","","0.1175","0.1353","","","","","","0.612","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711068","8.3051","0.0006","10.0061","0.0007","14.2153","0.001","84.619","0.006","87.423","0.006","88.562","0.006","1174.66","0.14","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 As2 S6 -","- C24 H12 As2 S6 -","- C48 H24 As4 S12 -","2","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0763","0.0514","","","0.1212","0.1372","","","","","","1.015","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711069","12.6354","0.0008","5.8417","0.0007","33.241","0.003","90","","90","","90","","2453.6","0.4","93.15","","93.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 As S2 -","- C14 H9 As S2 -","- C112 H72 As8 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0602","0.0463","","","0.0984","0.1071","","","","","","1.019","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711070","8.3425","0.0005","14.0161","0.0008","14.5941","0.0008","69.81","0.005","80.161","0.005","79.863","0.005","1565.38","0.16","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 As S2 -","- C17 H15 As S2 -","- C68 H60 As4 S8 -","4","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0545","0.0379","","","0.0855","0.093","","","","","","0.99","","","","has coordinates","277403","2022-08-25","22:49:37",""
"7711071","12.6098","0.0012","5.9542","0.0006","36.39","0.003","90","","90","","90","","2732.2","0.4","273.15","","273.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H11 As S2 -","- C15 H11 As S2 -","- C120 H88 As8 S16 -","8","2","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.1022","0.06","","","0.1446","0.1841","","","","","","0.838","","","","has coordinates","277403","2022-08-25","22:49:38",""
"7711072","16.5251","0.0004","17.7115","0.0004","24.5234","0.0006","71.8079","0.0006","89.1477","0.0007","86.6843","0.0007","6807.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H102 Cl2 Mo6 N5 O16.5 -","- C52 H102 Cl2 Mo6 N5 O16.5 -","- C208 H408 Cl8 Mo24 N20 O66 -","4","2","","Jadhav, Tushar Sanjay; Abbas, Syed Ali; Chu, Kai-Ti; Wu, Wen-Ti; Hsu, Yu-Yi; Lee, Gene-Hsiang; Chien, Su-Ying; Chu, Chih-Wei; Chiang, Ming-Hsi","Surficial grafting of organoimido moieties enhances the capacity performance of oxometallic clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01753A","","","0.71073","MoKα","","0.0639","0.0483","","","0.1228","0.1373","","","","","","1.06","","","","has coordinates,has disorder","277415","2022-08-26","23:37:54",""
"7711073","12.3882","0.0004","23.092","0.0007","27.7838","0.0008","113.276","0.0006","98.5545","0.0006","96.7016","0.0006","7084","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H204 F12 Mo12 N10 O33 -","- C108 H204 F12 Mo12 N10 O33 -","- C216 H408 F24 Mo24 N20 O66 -","2","1","","Jadhav, Tushar Sanjay; Abbas, Syed Ali; Chu, Kai-Ti; Wu, Wen-Ti; Hsu, Yu-Yi; Lee, Gene-Hsiang; Chien, Su-Ying; Chu, Chih-Wei; Chiang, Ming-Hsi","Surficial grafting of organoimido moieties enhances the capacity performance of oxometallic clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01753A","","","0.71073","MoKα","","0.0852","0.0642","","","0.132","0.1404","","","","","","1.116","","","","has coordinates,has disorder","277415","2022-08-26","23:37:54",""
"7711074","24.5526","0.0007","18.3498","0.0005","15.2939","0.0005","90","","103.809","0.0007","90","","6691.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H103 Mo6 N6 O18.5 -","- C52 H103 Mo6 N6 O18.5 -","- C208 H412 Mo24 N24 O74 -","4","1","","Jadhav, Tushar Sanjay; Abbas, Syed Ali; Chu, Kai-Ti; Wu, Wen-Ti; Hsu, Yu-Yi; Lee, Gene-Hsiang; Chien, Su-Ying; Chu, Chih-Wei; Chiang, Ming-Hsi","Surficial grafting of organoimido moieties enhances the capacity performance of oxometallic clusters","Dalton Transactions","2022","","","","","10.1039/D2DT01753A","","","0.71073","MoKα","","0.0526","0.0444","","","0.1112","0.1182","","","","","","1.07","","","","has coordinates,has disorder","277415","2022-08-26","23:37:54",""
"7711075","8.4976","0.0015","17.66","0.003","10.9308","0.0019","90","","92.046","0.014","90","","1639.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 Ag Bi I5 S -","- C3 H9 Ag Bi I5 S -","- C12 H36 Ag4 Bi4 I20 S4 -","4","1","","Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna","[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap","Dalton Transactions","2022","","","","","10.1039/D2DT02305A","","x-ray","1.54186","CuKα","","0.0633","0.0425","","","0.0982","0.1084","","","","","","1.032","","","","has coordinates,has disorder","277416","2022-08-26","23:39:28",""
"7711076","22.0808","0.0008","9.694","0.0002","16.2226","0.0006","90","","99.086","0.003","90","","3428.9","0.19","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H27 I9 S3 Sb2 -","- C9 H27 I9 S3 Sb2 -","- C36 H108 I36 S12 Sb8 -","4","1","","Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna","[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap","Dalton Transactions","2022","","","","","10.1039/D2DT02305A","","","0.71073","MoKα","","0.0442","0.0335","","","0.0763","0.0795","","","","","","0.945","","","","has coordinates","277416","2022-08-26","23:39:28",""
"7711077","18.9347","0.0013","33.0271","0.0014","22.7116","0.0014","90","","91.934","0.005","90","","14194.8","1.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H27 Bi2 I9 S3 -","- C9 H27 Bi2 I9 S3 -","- C144 H432 Bi32 I144 S48 -","16","2","","Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna","[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap","Dalton Transactions","2022","","","","","10.1039/D2DT02305A","","x-ray","0.71073","MoKα","","0.1836","0.0626","","","0.1272","0.1659","","","","","","0.895","","","","has coordinates,has disorder","277416","2022-08-26","23:39:29",""
"7711078","19.2137","0.0007","33.57","0.0018","22.9179","0.0008","90","","91.447","0.003","90","","14777.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H27 I9 S3 Sb2 -","- C9 I9 S3 Sb2 -","- C144 I144 S48 Sb32 -","16","2","","Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna","[SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap","Dalton Transactions","2022","","","","","10.1039/D2DT02305A","","x-ray","1.54186","CuKα","","0.1431","0.0639","","","0.1795","0.1955","","","","","","0.882","","","","has coordinates,has disorder","277416","2022-08-26","23:39:29",""
"7711079","18.1391","0.0007","39.1409","0.0016","18.906","0.0009","90","","114.171","0.001","90","","12246.1","0.9","305.3","","305.3","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","xyh01","","- C114 H210 Ag46 F36 N2 O54 S28 V10 -","- C114 H210 Ag46 F36 N2 O54 S28 V10 -","- C228 H420 Ag92 F72 N4 O108 S56 V20 -","2","0.5","","Xia, Yuhan; Xia, Xin-Yan; Fang, Jun-Jie; Liu, Zheng; Xie, Yun-Peng; Lu, Xing","Anion-templated silver thiolated clusters effected by carboxylate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02194C","","","0.71073","MoKα","","0.1568","0.0896","","","0.2222","0.2577","","","","","","1.022","","","","has coordinates,has disorder","277417","2022-08-26","23:41:26",""
"7711080","30.032","0.002","26.7363","0.0018","15.9173","0.0012","90","","97.531","0.002","90","","12670.5","1.5","296.3","","296.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","xyh03","","- C35 H46 Ag10 O12 S5.5 -","- C35 H46 Ag10 O12 S5.5 -","- C280 H368 Ag80 O96 S44 -","8","1","","Xia, Yuhan; Xia, Xin-Yan; Fang, Jun-Jie; Liu, Zheng; Xie, Yun-Peng; Lu, Xing","Anion-templated silver thiolated clusters effected by carboxylate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02194C","","","0.71073","MoKα","","0.1454","0.0799","","","0.1953","0.2505","","","","","","1.05","","","","has coordinates,has disorder","277417","2022-08-26","23:41:26",""
"7711081","20.0954","0.0006","28.1776","0.0009","22.1646","0.0008","90","","93.563","0.001","90","","12526.2","0.7","298.2","","298.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","xyh02","","- C132 H250 Ag46 F24 N4 O52 S30 V10 -","- C132 H250 Ag46 F24 N4 O52 S30 V10 -","- C264 H500 Ag92 F48 N8 O104 S60 V20 -","2","0.5","","Xia, Yuhan; Xia, Xin-Yan; Fang, Jun-Jie; Liu, Zheng; Xie, Yun-Peng; Lu, Xing","Anion-templated silver thiolated clusters effected by carboxylate ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02194C","","","0.71073","MoKα","","0.1011","0.0578","","","0.1318","0.1521","","","","","","1.028","","","","has coordinates,has disorder","277417","2022-08-26","23:41:26",""
"7711082","15.6978","0.0008","3.7082","0.0001","19.3323","0.001","90","","100.429","0.002","90","","1106.75","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","LG","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","","0.71073","MoKα","","0.1222","0.0765","","","0.1815","0.2094","","","","","","1.07","","","","has coordinates","277448","2022-08-29","23:16:35",""
"7711083","15.8987","0.0011","24.7403","0.0011","16.4218","0.0008","90","","90","","90","","6459.3","0.6","100","","100.01","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","TP33","","- C32 H26 Cu F6 N4 O5 P S -","- C32 H26 Cu F6 N4 O5 P S -","- C256 H208 Cu8 F48 N32 O40 P8 S8 -","8","0.5","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","x-ray","1.54178","CuKα","","0.0629","0.0538","","","0.136","0.1432","","","","","","1.088","","","","has coordinates,has disorder","277448","2022-08-29","23:16:50",""
"7711084","13.2628","0.0007","15.8514","0.0008","16.7898","0.0009","90","","98.615","0.003","90","","3490","0.3","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","TP42A","","- C70 H62 Cu2 F12 N8 O11 P2 -","- C70 H62 Cu2 F12 N8 O11 P2 -","- C140 H124 Cu4 F24 N16 O22 P4 -","2","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","","1.54178","CuKα","","0.0663","0.0624","","","0.167","0.1714","","","","","","1.03","","","","has coordinates,has disorder","277448","2022-08-29","23:16:55",""
"7711085","31.4899","0.001","9.7925","0.0003","27.9839","0.001","90","","118.47","0.0015","90","","7585.7","0.4","100","","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","TP40","","- C35 H29.29 Cl3 Cu F6 N4 O4.14 P -","- C35 H29.266 Cl3 Cu F6 N4 O4.133 P -","- C280 H234.128 Cl24 Cu8 F48 N32 O33.064 P8 -","8","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","x-ray","1.54178","CuKα","","0.1259","0.0964","","","0.2427","0.271","","","","","","1.038","","","","has coordinates,has disorder","277448","2022-08-29","23:17:10",""
"7711086","4.9065","0.0003","13.8542","0.0008","18.1645","0.0011","90","","90","","90","","1234.74","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TP16H","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","x-ray","1.54178","CuKα","","0.0505","0.0405","","","0.0939","0.0988","","","","","","1.066","","","","has coordinates","277448","2022-08-29","23:17:15",""
"7711087","11.44","0.0011","13.1744","0.0013","22.711","0.002","90","","100.22","0.003","90","","3368.6","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","TP76","","- C36 H32 Cu F6 N4 O4 P -","- C36 H32 Cu F6 N4 O4 P -","- C144 H128 Cu4 F24 N16 O16 P4 -","4","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","","0.71073","MoKα","","0.0818","0.0436","","","0.1192","0.1497","","","","","","0.94","","","","has coordinates","277448","2022-08-29","23:17:29",""
"7711088","14.8494","0.0011","16.009","0.0013","18.9006","0.0013","109.75","0.004","100.867","0.004","103.413","0.004","3934.8","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","TP75","","- C79 H81 Cl3 Cu2 F12 N8 O8 P2 -","- C79 H81 Cl3 Cu2 F12 N8 O8 P2 -","- C158 H162 Cl6 Cu4 F24 N16 O16 P4 -","2","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","","0.71073","MoKα","","0.2216","0.0906","","","0.2122","0.2781","","","","","","0.96","","","","has coordinates,has disorder","277448","2022-08-29","23:17:29",""
"7711089","12.938","0.0006","14.4685","0.0007","14.6297","0.0008","101.989","0.003","103.363","0.002","115.054","0.002","2264","0.2","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H94 Gd8 N6 O32 -","- C72 H94 Gd8 N6 O32 -","- C72 H94 Gd8 N6 O32 -","1","0.5","","Wang, Wen-Min; Xin, Xiao-Yan; Qiao, Na; Wu, Zhi-Lei; Li, Ling; Zou, Ji-Yong","Self-assembly of octanuclear Ln(iii)-based clusters: their large magnetocaloric effects and highly efficient conversion of CO2","Dalton Transactions","2022","","","","","10.1039/D2DT01892F","","","0.71073","MoKα","","0.0609","0.0356","","","0.0675","0.0753","","","","","","1.026","","","","has coordinates","277471","2022-08-30","22:56:34",""
"7711090","12.95","0.0013","14.4583","0.0014","14.5993","0.0014","101.562","0.005","103.649","0.004","115.059","0.004","2261.9","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 Dy8 N6 O32 -","- C72 H98 Dy8 N6 O32 -","- C72 H98 Dy8 N6 O32 -","1","0.5","","Wang, Wen-Min; Xin, Xiao-Yan; Qiao, Na; Wu, Zhi-Lei; Li, Ling; Zou, Ji-Yong","Self-assembly of octanuclear Ln(iii)-based clusters: their large magnetocaloric effects and highly efficient conversion of CO2","Dalton Transactions","2022","","","","","10.1039/D2DT01892F","","","0.71073","MoKα","","0.0909","0.0468","","","0.0774","0.0915","","","","","","1.027","","","","has coordinates","277471","2022-08-30","22:56:35",""
"7711091","12.9326","0.001","14.4547","0.001","14.5989","0.001","101.801","0.003","103.492","0.003","115.024","0.003","2257.8","0.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 Ho8 N6 O32 -","- C72 H96 Ho8 N6 O32 -","- C72 H96 Ho8 N6 O32 -","1","0.5","","Wang, Wen-Min; Xin, Xiao-Yan; Qiao, Na; Wu, Zhi-Lei; Li, Ling; Zou, Ji-Yong","Self-assembly of octanuclear Ln(iii)-based clusters: their large magnetocaloric effects and highly efficient conversion of CO2","Dalton Transactions","2022","","","","","10.1039/D2DT01892F","","","0.71073","MoKα","","0.0766","0.0409","","","0.0758","0.0875","","","","","","1.006","","","","has coordinates","277471","2022-08-30","22:56:35",""
"7711092","10.87","0.002","13.97","0.003","20.69","0.004","90","","93.3","0.03","90","","3136.6","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Eu F9 N3 O6 S -","- C25 H19 Eu F9 N3 O6 S -","- C100 H76 Eu4 F36 N12 O24 S4 -","4","1","","Ilmi, Rashid; Yin, Jiaxuan; Dutra, Jose D. L.; Al Rasbi, Nawal K.; Oliveira, Willyan F.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S.","Single component white-OLEDs derived from tris(β-diketonato) europium(III) complexes bearing the large bite angle N^N 2-(4-thiazolyl)benzimidazole ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01873J","","","0.71073","MoKα","","0.0464","0.0376","","","0.0948","0.1015","","","","","","1.114","","","","has coordinates","277472","2022-08-30","22:57:26",""
"7711093","9.72","0.0019","12.77","0.003","14.3","0.003","82.8","0.03","76.7","0.03","83.9","0.03","1708.2","0.7","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H10 Eu F18 N3 O6 S -","- C25 H10 Eu F18 N3 O6 S -","- C50 H20 Eu2 F36 N6 O12 S2 -","2","1","","Ilmi, Rashid; Yin, Jiaxuan; Dutra, Jose D. L.; Al Rasbi, Nawal K.; Oliveira, Willyan F.; Zhou, Liang; Wong, Wai-Yeung Raymond; Raithby, Paul R.; Khan, Muhammad S.","Single component white-OLEDs derived from tris(β-diketonato) europium(III) complexes bearing the large bite angle N^N 2-(4-thiazolyl)benzimidazole ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01873J","","","0.71073","MoKα","","0.0628","0.0484","","","0.1256","0.1379","","","","","","1.034","","","","has coordinates","277472","2022-08-30","22:57:26",""
"7711094","13.1904","0.0003","13.6729","0.0004","12.2821","0.0004","90","","93.048","0.002","90","","2211.96","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Ag F3 N8 O3 S -","- C19 H18 Ag F3 N8 O3 S -","- C76 H72 Ag4 F12 N32 O12 S4 -","4","1","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","0.71073","MoKα","","0.0721","0.0467","","","0.108","0.124","","","","","","1.03","","","","has coordinates","277512","2022-08-31","22:55:45",""
"7711095","8.346","0.0002","8.6291","0.0002","22.2086","0.0006","90","","112.019","0.001","90","","1482.77","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F12 N10 P2 -","- C22 H26 F12 N10 P2 -","- C44 H52 F24 N20 P4 -","2","0.5","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","1.54178","CuKα","","0.0463","0.0444","","","0.114","0.1156","","","","","","1.063","","","","has coordinates","277512","2022-08-31","22:55:47",""
"7711096","13.2444","0.0004","9.4288","0.0003","21.4191","0.0007","90","","92.334","0.002","90","","2672.57","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F6 N8 O6 S2 -","- C20 H20 F6 N8 O6 S2 -","- C80 H80 F24 N32 O24 S8 -","4","1","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","1.54178","CuKα","","0.106","0.0776","","","0.2057","0.2318","","","","","","1.063","","","","has coordinates,has disorder","277512","2022-08-31","22:55:47",""
"7711097","12.5735","0.0005","13.9962","0.0006","15.1959","0.0006","100.481","0.002","96.634","0.002","91.02","0.002","2609.9","0.19","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H74 F30 N30 O18 P2 S6 Sm2 -","- C72 H74 F30 N30 O18 P2 S6 Sm2 -","- C72 H74 F30 N30 O18 P2 S6 Sm2 -","1","0.5","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","1.54178","CuKα","","0.0528","0.0504","","","0.124","0.1261","","","","","","1.034","","","","has coordinates,has disorder","277512","2022-08-31","22:55:47",""
"7711098","19.2681","0.0009","24.4819","0.0012","26.1478","0.0012","90","","90","","90","","12334.4","1","173","2","173","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C78 H72 Cd4 F18 N32 O18 S6 -","- C78 H72 Cd4 F18 N32 O18 S6 -","- C312 H288 Cd16 F72 N128 O72 S24 -","4","0.25","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","0.71073","MoKα","","0.1479","0.0938","","","0.2404","0.2882","","","","","","1.082","","","","has coordinates","277512","2022-08-31","22:55:47",""
"7711099","12.5676","0.0007","14.0097","0.0006","15.1758","0.0009","100.556","0.002","96.448","0.002","91.114","0.002","2608","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H74 Eu2 F30 N30 O18 P2 S6 -","- C72 H74 Eu2 F30 N30 O18 P2 S6 -","- C72 H74 Eu2 F30 N30 O18 P2 S6 -","1","0.5","","Thangavel, Muthu Kumar; Harrowfield, Jack; Bailly, Corinne; Karmazin, Lydia; Stadler, Adrian-Mihail","Modulation of the structural information in shape-defined heterocyclic strands: the case of a (pyridine-hydrazone)2pyrazine ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01684B","","","0.71073","MoKα","","0.0494","0.0429","","","0.1017","0.1059","","","","","","1.075","","","","has coordinates,has disorder","277512","2022-08-31","22:55:47",""
"7711100","10.3446","0.0003","10.154","0.0003","19.4816","0.0007","90","","103.756","0.003","90","","1987.63","0.11","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Sn(Et-tBu-AMD)2]","[Sn(Et-tBu-AMD)2]","","- C16 H34 N4 Sn -","- C16 H34 N4 Sn -","- C64 H136 N16 Sn4 -","4","1","","Huster, Niklas; Ghiyasi, Ramin; Zanders, David; Rogalla, Detlef; Karppinen, Maarit; Devi, Anjana","SnO via Water Based ALD employing Tin(II) Formamidinate: Precursor Characterization and Process Development","Dalton Transactions","2022","","","","","10.1039/D2DT02562K","","x-ray","1.54184","CuKα","","0.059","0.0499","","","0.1315","0.1415","","","","","","1.064","","","","has coordinates","277514","2022-08-31","22:56:51",""
"7711101","24.1034","0.0003","34.4125","0.0003","24.7529","0.0003","90","","93.3425","0.0008","90","","20496.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C202 H294 N12 Na2 O24 Ti4 -","- C202 H294 N12 Na2 O24 Ti4 -","- C808 H1176 N48 Na8 O96 Ti16 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.1055","0.0845","","","0.2397","0.2674","","","","","","1.091","","","","has coordinates,has disorder","277515","2022-08-31","23:00:15",""
"7711102","17.598","0.003","17.598","0.003","39.046","0.008","90","","90","","120","","10472","3","100","","100","","","","","","","","","6","P 31","P 31","144","","","","- C157 H133 D66 N2 O8 Ti2 -","- C157 H133 D66 N2 O8 Ti2 -","- C471 H399 D198 N6 O24 Ti6 -","3","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.0485","0.0419","","","0.1054","0.108","","","","","","0.99","","","","has coordinates,has disorder","277515","2022-08-31","23:00:16",""
"7711103","29.2227","0.0004","15.9396","0.0003","23.447","0.0003","90","","111.567","0.0011","90","","10156.9","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H79 N O5 Ti -","- C53 H79 N O5 Ti -","- C424 H632 N8 O40 Ti8 -","8","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.1","0.0706","","","0.2077","0.2279","","","","","","1.06","","","","has coordinates,has disorder","277515","2022-08-31","23:00:16",""
"7711104","19.488","0.004","23.772","0.005","25.128","0.005","90","","107.21","0.03","90","","11120","4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H188 N2 O6 Ti2 -","- C114 H188 N2 O6 Ti2 -","- C456 H752 N8 O24 Ti8 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.1174","0.0731","","","0.1669","0.1986","","","","","","1.063","","","","has coordinates,has disorder","277515","2022-08-31","23:00:16",""
"7711105","21.251","0.004","18.683","0.004","12.23","0.002","90","","108.06","0.03","90","","4616.5","1.7","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H76 N O4 Ti -","- C49 H76 N O4 Ti -","- C196 H304 N4 O16 Ti4 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.0748","0.0692","","","0.1735","0.1988","","","","","","1.056","","","","has coordinates,has disorder","277515","2022-08-31","23:00:16",""
"7711106","14.476","0.002","14.476","0.002","25.385","0.005","90","","90","","90","","5319.5","1.5","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C55 H88 N O4 Ti -","- C55 H88 N O4 Ti -","- C220 H352 N4 O16 Ti4 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","0.71073","MoKα","","0.0885","0.0589","","","0.1473","0.1628","","","","","","1.034","","","","has coordinates,has disorder","277515","2022-08-31","23:00:17",""
"7711107","19.351","0.004","22.616","0.005","30.581","0.006","69.99","0.03","88.96","0.03","66.13","0.03","11387","6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C208 H295 K3 N4 O26 Ti4 -","- C208 H295 K3 N4 O26 Ti4 -","- C416 H590 K6 N8 O52 Ti8 -","2","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","1.54178","CuKα","","0.0997","0.0627","","","0.1521","0.1642","","","","","","0.86","","","","has coordinates,has disorder","277515","2022-08-31","23:00:17",""
"7711108","3.4487","0.0004","3.4487","0.0004","7.5107","0.0008","90","","90","","90","","89.329","0.017","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Er2 In Ru -","- Er2 In Ru -","- Er2 In Ru -","1","0.0625","","Pöttgen, Rainer; Reimann, Maximilian Kai; Kalychak, Yaroslav M.; Hulai, Nataliia; Dolsinis, Nikos; Osthues, Helena; Amirjalayer, Saeed","bcc Superstructures: RE2RuIn with RE = Sc, Y, Dy-Tm and Lu","Dalton Transactions","2022","","","","","10.1039/D2DT02357A","","x-ray","0.71073","MoKα","","0.0086","0.0082","","","0.0218","0.0218","","","","0.98","0.98","0.97","","","","has coordinates","277516","2022-08-31","23:01:51",""
"7711109","3.3026","0.0008","3.3026","0.0008","7.052","0.0015","90","","90","","90","","76.92","0.03","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- In Ru Sc2 -","- In Ru Sc2 -","- In Ru Sc2 -","1","0.0625","","Pöttgen, Rainer; Reimann, Maximilian Kai; Kalychak, Yaroslav M.; Hulai, Nataliia; Dolsinis, Nikos; Osthues, Helena; Amirjalayer, Saeed","bcc Superstructures: RE2RuIn with RE = Sc, Y, Dy-Tm and Lu","Dalton Transactions","2022","","","","","10.1039/D2DT02357A","","x-ray","0.71073","MoKα","","0.0165","0.0163","","","0.0409","0.0409","","","","1.81","1.81","1.81","","","","has coordinates","277516","2022-08-31","23:01:52",""
"7711110","12.957","0.004","14.254","0.004","19.296","0.005","103.562","0.007","105.146","0.008","100.236","0.008","3233.8","1.6","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H50 N O3 P2 Rh Si -","- C29 H50 N O3 P2 Rh Si -","- C116 H200 N4 O12 P8 Rh4 Si4 -","4","2","","Rain Talosig, A.; Cosio, Mario N.; Morse, Benjamin; Nguyen, Vinh T.; Kosanovich, Alex J.; Pell, Christopher J.; Li, Chun; Bhuvanesh, Nattamai; Zhou, Jia; Larsen, Anna S.; Ozerov, Oleg. V.","Distinct modes of Si–H binding to Rh in complexes of a phosphine-diarylamido-silane (SiNP) pincer ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02175G","","","0.71073","MoKα","","0.0721","0.0445","","","0.0756","0.083","","","","","","1.029","","","","has coordinates,has disorder","277566","2022-09-01","22:51:47",""
"7711111","12.9201","0.0009","17.5604","0.0012","18.3558","0.0013","90","","90","","90","","4164.6","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N O3 P2 Rh Si -","- C44 H56 N O3 P2 Rh Si -","- C176 H224 N4 O12 P8 Rh4 Si4 -","4","1","","Rain Talosig, A.; Cosio, Mario N.; Morse, Benjamin; Nguyen, Vinh T.; Kosanovich, Alex J.; Pell, Christopher J.; Li, Chun; Bhuvanesh, Nattamai; Zhou, Jia; Larsen, Anna S.; Ozerov, Oleg. V.","Distinct modes of Si–H binding to Rh in complexes of a phosphine-diarylamido-silane (SiNP) pincer ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02175G","","","0.71073","MoKα","","0.0281","0.0253","","","0.0589","0.0602","","","","","","1.051","","","","has coordinates","277566","2022-09-01","22:51:49",""
"7711112","5.6936","0.0001","12.0266","0.0003","17.6197","0.0004","90","","90.867","0.001","90","","1206.36","0.05","100","","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Er N7 O8 -","- C6 H10 Er N7 O8 -","- C24 H40 Er4 N28 O32 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0244","0.0244","","","0.0592","0.0592","","","","","","1.132","","","","has coordinates","277567","2022-09-01","22:54:43",""
"7711113","6.5379","0.0002","10.6082","0.0003","19.3914","0.0006","90","","90","","90","","1344.9","0.07","100","","100.15","","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C6 H14 La N7 O10 -","- C6 H14 La N7 O10 -","- C24 H56 La4 N28 O40 -","4","0.5","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.34139","GaKα","","0.031","0.0309","","","0.0835","0.0836","","","","","","1.202","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711114","11.8582","0.0004","6.8416","0.0002","16.6967","0.0005","90","","93.7","0.001","90","","1351.76","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N7 O10 Tb -","- C6 H14 N7 O10 Tb -","- C24 H56 N28 O40 Tb4 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0265","0.0248","","","0.0616","0.0626","","","","","","1.074","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711115","11.8872","0.0006","6.8605","0.0003","16.7718","0.0008","90","","93.608","0.002","90","","1365.07","0.11","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Eu N7 O10 -","- C6 H14 Eu N7 O10 -","- C24 H56 Eu4 N28 O40 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0339","0.0331","","","0.0769","0.0774","","","","","","1.065","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711116","5.6782","0.0002","12.0332","0.0004","17.554","0.0006","90","","90.652","0.002","90","","1199.33","0.07","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 N7 O8 Yb -","- C6 H10 N7 O8 Yb -","- C24 H40 N28 O32 Yb4 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0206","0.0204","","","0.0509","0.051","","","","","","1.08","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711117","5.7138","0.0003","12.1155","0.0007","17.6748","0.001","90","","91.136","0.002","90","","1223.31","0.12","298","","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Ho N7 O8 -","- C6 H10 Ho N7 O8 -","- C24 H40 Ho4 N28 O32 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.54178","CuKα","","0.0278","0.0274","","","0.0691","0.0695","","","","","","1.06","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711118","11.9028","0.0006","6.868","0.0003","16.7913","0.0008","90","","93.617","0.002","90","","1369.93","0.11","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N7 O10 Sm -","- C6 H14 N7 O10 Sm -","- C24 H56 N28 O40 Sm4 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","x-ray","1.54178","CuKα","","0.0207","0.0206","","","0.0571","0.0571","","","","","","1.059","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711119","6.6711","0.0004","19.7592","0.0012","21.1063","0.0013","90","","98.303","0.002","90","","2753","0.3","150","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Ce N7 O10 -","- C6 H14 Ce N7 O10 -","- C48 H112 Ce8 N56 O80 -","8","2","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","","1.34139","GaKα","","0.0182","0.0175","","","0.0454","0.0458","","","","","","1.099","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711120","11.8702","0.0007","6.7923","0.0004","16.6124","0.0011","90","","93.689","0.002","90","","1336.62","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Dy N7 O10 -","- C6 H14 Dy N7 O10 -","- C24 H56 Dy4 N28 O40 -","4","1","","Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam","S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks","Dalton Transactions","2022","","","","","10.1039/D2DT01924H","","x-ray","1.34139","GaKα","","0.0248","0.0247","","","0.0648","0.0651","","","","","","1.072","","","","has coordinates","277567","2022-09-01","22:54:44",""
"7711121","7.691","0.006","20.655","0.013","7.418","0.005","90","","120.89","0.02","90","","1011.3","1.2","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- Ba2 F3 I O9 W2 -","- Ba2 F3 I O9 W2 -","- Ba8 F12 I4 O36 W8 -","4","1","","Hou, Ying; Li, Hongyi; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba2[WO3F(IO3)][WO3F2]: The First Polar Fluorinated Tungsten Iodate Featuring the Direct W-O-I Bond","Dalton Transactions","2022","","","","","10.1039/D2DT02085H","","","0.71073","MoKα","","0.0412","0.0346","","","0.0571","0.0597","","","","","","1.046","","","","has coordinates","277568","2022-09-01","22:56:21",""
"7711122","11.0933","0.0016","13.6506","0.0017","7.7629","0.0011","90","","90","","90","","1175.5","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","1","","- C8 H7 Cl3 N3 Sm -","- C8 H7 Cl3 N2.773 Sm -","- C32 H28 Cl12 N11.092 Sm4 -","4","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.044","0.0284","","","0.0444","0.048","","","","","","1.053","","","","has coordinates,has disorder","277607","2022-09-02","23:03:27",""
"7711123","13.644","0.0007","10.0761","0.0005","16.3858","0.0008","90","","90","","90","","2252.69","0.19","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","3","","- C8 H7 Cl3 Gd N3 -","- C8 H7 Cl3 Gd N3 -","- C64 H56 Cl24 Gd8 N24 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.1004","0.0628","","","0.1484","0.1816","","","","","","1.079","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711124","13.6572","0.0008","10.0885","0.0006","16.3902","0.001","90","","90","","90","","2258.3","0.2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","2","","- C8 H7 Cl3 Eu N3 -","- C8 H7 Cl3 Eu N3 -","- C64 H56 Cl24 Eu8 N24 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0734","0.0411","","","0.0819","0.0954","","","","","","1.044","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711125","9.0326","0.0009","15.1371","0.0016","13.8261","0.0015","90","","103.912","0.003","90","","1835","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8","","- C28 H27 Cl6 Ho2 N11 -","- C28 H27 Cl6 Ho2 N11 -","- C56 H54 Cl12 Ho4 N22 -","2","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0689","0.0465","","","0.1179","0.1277","","","","","","1.148","","","","has coordinates,has disorder","277607","2022-09-02","23:03:28",""
"7711126","12.2652","0.0013","14.6692","0.0015","12.4858","0.0013","90","","107.408","0.003","90","","2143.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4","","- C38 H37 Cl6 N9 Tb2 -","- C38 H37 Cl6 N9 Tb2 -","- C76 H74 Cl12 N18 Tb4 -","2","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0504","0.0293","","","0.058","0.0641","","","","","","1.038","","","","has coordinates,has disorder","277607","2022-09-02","23:03:28",""
"7711127","9.0348","0.0005","15.1115","0.0008","13.7778","0.0007","90","","103.948","0.002","90","","1825.61","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9","","- C28 H27 Cl6 Er2 N11 -","- C28 H27 Cl6 Er2 N11 -","- C56 H54 Cl12 Er4 N22 -","2","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0423","0.0255","","","0.0471","0.0518","","","","","","1.057","","","","has coordinates,has disorder","277607","2022-09-02","23:03:28",""
"7711128","9.025","0.0004","15.2238","0.0006","14.0272","0.0006","90","","103.89","0.002","90","","1870.91","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C28 H27 Cl6 Eu2 N11 -","- C28 H27 Cl6 Eu2 N11 -","- C56 H54 Cl12 Eu4 N22 -","2","0.5","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0281","0.0202","","","0.0406","0.0429","","","","","","1.057","","","","has coordinates,has disorder","277607","2022-09-02","23:03:28",""
"7711129","13.48","0.003","8.831","0.0019","21.086","0.005","90","","97.213","0.008","90","","2490.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","14","","- C8 H8 Cl4 La N3 -","- C8 H8 Cl4 La N3 -","- C64 H64 Cl32 La8 N24 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.1145","0.0857","","","0.1576","0.1669","","","","","","1.215","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711130","12.4821","0.0006","13.7301","0.0007","15.9694","0.0008","90","","97.093","0.002","90","","2715.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","11","","- C24 H22 Cl4 N9 Tb -","- C24 H22 Cl4 N9 Tb -","- C96 H88 Cl16 N36 Tb4 -","4","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0357","0.0262","","","0.053","0.0563","","","","","","1.061","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711131","12.5262","0.0004","13.7731","0.0005","15.9769","0.0006","90","","96.969","0.002","90","","2736.04","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10","","- C24 H22 Cl4 Eu N9 -","- C24 H22 Cl4 Eu N9 -","- C96 H88 Cl16 Eu4 N36 -","4","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0862","0.0418","","","0.0703","0.0812","","","","","","1.001","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711132","13.3671","0.001","8.6825","0.0007","20.9285","0.0016","90","","97.014","0.002","90","","2410.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","15","","- C8 H8 Cl4 N3 Nd -","- C8 H8 Cl4 N3 Nd -","- C64 H64 Cl32 N24 Nd8 -","8","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0647","0.0461","","","0.1021","0.1092","","","","","","1.134","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711133","12.4597","0.0004","13.7064","0.0004","15.9614","0.0004","90","","97.207","0.001","90","","2704.31","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","13","","- C24 H22 Cl4 Ho N9 -","- C24 H22 Cl4 Ho N9 -","- C96 H88 Cl16 Ho4 N36 -","4","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0384","0.0231","","","0.0405","0.043","","","","","","0.947","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711134","12.4802","0.0004","13.7204","0.0005","15.9695","0.0006","90","","97.09","0.002","90","","2713.6","0.17","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","12","","- C24 H22 Cl4 Dy N9 -","- C24 H22 Cl4 Dy N9 -","- C96 H88 Cl16 Dy4 N36 -","4","1","","Youssef, Heba; Schäfer, Thomas C.; Becker, Jonathan; Sedykh, Alexander E.; Basso, Leonardo; Pietzonka, Clemens; Taydakov, Ilya V.; Kraus, Florian; Müller-Buschbaum, Klaus","3D-Frameworks and 2D-Networks of Lanthanide Coordination Polymers with 3-Pyridylpyrazole: Photophysical and Magnetic Properties","Dalton Transactions","2022","","","","","10.1039/D2DT01999J","","","0.71073","MoKα","","0.0279","0.0203","","","0.0413","0.0435","","","","","","1.041","","","","has coordinates","277607","2022-09-02","23:03:28",""
"7711135","8.7947","0.0004","12.8162","0.0005","14.5558","0.0006","90","","105.509","0.001","90","","1580.91","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 V -","- C14 H20 N4 O2 V -","- C56 H80 N16 O8 V4 -","4","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.046","0.0316","","","0.0727","0.0791","","","","","","1.036","","","","has coordinates","277615","2022-09-03","22:56:40",""
"7711136","7.625","0.0009","29.317","0.004","8.7682","0.001","90","","111.566","0.006","90","","1822.8","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N4 O2 V -","- C16 H24 N4 O2 V -","- C64 H96 N16 O8 V4 -","4","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0876","0.054","","","0.1098","0.1219","","","","","","1.019","","","","has coordinates","277615","2022-09-03","22:56:49",""
"7711137","9.5832","0.0007","12.83","0.0009","16.4657","0.0012","90","","102.278","0.004","90","","1978.2","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N4 O2 V -","- C20 H29 N4 O2 V -","- C80 H116 N16 O8 V4 -","4","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0959","0.052","","","0.1346","0.1603","","","","","","0.958","","","","has coordinates","277615","2022-09-03","22:56:50",""
"7711138","8.9184","0.0005","9.175","0.0005","11.3271","0.0006","77.68","0.001","87.391","0.001","89.498","0.001","904.57","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N4 O2 V -","- C16 H24 N4 O2 V -","- C32 H48 N8 O4 V2 -","2","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0392","0.0321","","","0.0801","0.084","","","","","","1.062","","","","has coordinates","277615","2022-09-03","22:56:51",""
"7711139","8.162","0.001","9.0032","0.0011","16.663","0.002","86.475","0.004","81.945","0.004","86.385","0.004","1208.3","0.3","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N5 O3 V -","- C25 H28 N5 O3 V -","- C50 H56 N10 O6 V2 -","2","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0406","0.0331","","","0.1134","0.1223","","","","","","0.947","","","","has coordinates","277615","2022-09-03","22:56:52",""
"7711140","8.9979","0.0005","9.5099","0.0006","12.4283","0.0008","83.967","0.002","80.205","0.002","78.645","0.002","1024.64","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N4 O3 V -","- C20 H25 N4 O3 V -","- C40 H50 N8 O6 V2 -","2","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0518","0.0419","","","0.1097","0.1149","","","","","","1.073","","","","has coordinates","277615","2022-09-03","22:56:54",""
"7711141","13.9174","0.0003","12.5107","0.0002","23.1488","0.0005","90","","98.065","0.001","90","","3990.72","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N3 O3 V -","- C45 H48 N3 O3 V -","- C180 H192 N12 O12 V4 -","4","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0696","0.0416","","","0.0932","0.1057","","","","","","1.008","","","","has coordinates","277615","2022-09-03","22:56:56",""
"7711142","9.1787","0.0004","10.7455","0.0005","13.7121","0.0006","67.9103","0.0011","79.1333","0.0011","80.9407","0.0012","1225.1","0.1","90","2","90","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 N5 O2 V -","- C24 H38 N5 O2 V -","- C48 H76 N10 O4 V2 -","2","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0495","0.0368","","","0.1154","0.1283","","","","","","0.969","","","","has coordinates","277615","2022-09-03","22:56:58",""
"7711143","13.2954","0.001","30.48","0.002","10.2846","0.0008","90","","108.269","0.004","90","","3957.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 N4 O2 V -","- C42 H56 N4 O2 V -","- C168 H224 N16 O8 V4 -","4","1","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.1156","0.0786","","","0.1563","0.1677","","","","","","1.093","","","","has coordinates","277615","2022-09-03","22:56:59",""
"7711144","27.9809","0.0019","18.6624","0.0013","47.284","0.003","90","","94.0449","0.001","90","","24630","3","90","2","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40.57 N2.57 O2.57 V0.86 -","- C40 H40.5714 N2.57143 O2.57143 V0.857143 -","- C1120 H1136 N72 O72 V24 -","28","3.5","","Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.","Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity","Dalton Transactions","2022","","","","","10.1039/D2DT02177C","","x-ray","0.71073","MoKα","","0.0781","0.053","","","0.1451","0.1593","","","","","","1.071","","","","has coordinates","277615","2022-09-03","22:56:59",""
"7711145","5.7752","0.0004","13.483","0.001","16.9347","0.0012","108.22","0.007","90.24","0.005","94.77","0.006","1247.57","0.16","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 Ag2 O4 -","- C10 H18 Ag2 O4 -","- C40 H72 Ag8 O16 -","4","2","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","1.54184","CuKα","","0.0648","0.0371","","","0.0743","0.0855","","","","","","0.978","","","","has coordinates","277636","2022-09-05","22:50:59",""
"7711146","6.8349","0.0011","9.4356","0.0018","11.4549","0.0019","82.991","0.014","72.9","0.014","73.381","0.015","676","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Ag2 N4 O4 -","- C24 H38 Ag2 N4 O4 -","- C24 H38 Ag2 N4 O4 -","1","0.5","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","0.71073","MoKα","","0.0821","0.0538","","","0.1058","0.1124","","","","","","0.903","","","","has coordinates","277636","2022-09-05","22:51:00",""
"7711147","5.6777","0.0003","8.6359","0.0005","13.1369","0.0008","76.766","0.005","78.689","0.005","86.009","0.004","614.64","0.06","119.98","0.13","119.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 I N O2 -","- C11 H16 I N O2 -","- C22 H32 I2 N2 O4 -","2","1","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","0.71073","MoKα","","0.0415","0.0355","","","0.062","0.0655","","","","","","1.021","","","","has coordinates","277636","2022-09-05","22:51:00",""
"7711148","10.4936","0.0005","14.6196","0.0007","14.9627","0.0007","95.341","0.004","91.077","0.004","107.447","0.004","2177.71","0.19","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 I N2 O2 -","- C12 H19 I N2 O2 -","- C72 H114 I6 N12 O12 -","6","3","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","1.54184","CuKα","","0.041","0.0362","","","0.0915","0.0969","","","","","","1.035","","","","has coordinates","277636","2022-09-05","22:51:00",""
"7711149","10.6593","0.0003","12.9198","0.0004","13.3925","0.0005","83.712","0.003","71.291","0.003","65.959","0.003","1594.89","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 I N2 O3 -","- C14 H21 I N2 O3 -","- C56 H84 I4 N8 O12 -","4","2","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.0802","0.0821","","","","","","1.033","","","","has coordinates","277636","2022-09-05","22:51:00",""
"7711150","15.6502","0.0004","9.9201","0.0002","19.5464","0.0005","90","","109.522","0.003","90","","2860.16","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 I3 N3 O6 -","- C27 H24 I3 N3 O6 -","- C108 H96 I12 N12 O24 -","4","1","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","1.54184","CuKα","","0.0436","0.0351","","","0.0913","0.0995","","","","","","1.049","","","","has coordinates","277636","2022-09-05","22:51:00",""
"7711151","9.7621","0.0002","24.2101","0.0005","11.4785","0.0002","90","","91.437","0.002","90","","2711.99","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 I3 N3 O7 -","- C24 H20 I3 N3 O7 -","- C96 H80 I12 N12 O28 -","4","1","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","1.54184","CuKα","","0.0328","0.026","","","0.0622","0.0662","","","","","","1.008","","","","has coordinates","277636","2022-09-05","22:51:01",""
"7711152","20.8504","0.0009","10.529","0.0003","19.252","0.0004","90","","91.048","0.003","90","","4225.8","0.2","119.96","0.19","119.96","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Ag3 N7 O6 -","- C44 H38 Ag3 N7 O6 -","- C176 H152 Ag12 N28 O24 -","4","1","","Ward, Jas S.; Martõnova, Jevgenija; Wilson, Laura M. E.; Kramer, Eric; Aav, Riina; Rissanen, Kari","Carbonyl Hypoiodites from Pivalic and Trimesic Acid and their Silver(I) Intermediates","Dalton Transactions","2022","","","","","10.1039/D2DT01988D","","x-ray","0.71073","MoKα","","0.1071","0.0794","","","0.1229","0.1319","","","","","","1.211","","","","has coordinates","277636","2022-09-05","22:51:01",""
"7711153","7.62","0.04","8.38","0.04","16.68","0.08","90","","90","","90","","1065","9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 Bi O6 -","- C8 H7 Bi O6 -","- C32 H28 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.1541","0.1399","","","0.3413","0.35","","","","","","1.181","","","","has coordinates","277637","2022-09-05","22:52:18",""
"7711154","11.75","0.06","7.64","0.04","10.11","0.05","90","","104.8","0.2","90","","877","8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Bi O5 -","- C7 H3 Bi O5 -","- C28 H12 Bi4 O20 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.239","0.2043","","","0.4858","0.5092","","","","","","1.138","","","","has coordinates","277637","2022-09-05","22:52:18",""
"7711155","7.73","0.04","6.84","0.03","16.87","0.08","90","","90","","90","","892","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Bi O6 -","- C9 H9 Bi O6 -","- C36 H36 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.3377","0.3069","","","0.6519","0.694","","","","","","0.91","","","","has coordinates","277637","2022-09-05","22:52:19",""
"7711156","7.89","0.04","8.61","0.04","17.38","0.09","90","","90","","90","","1181","10","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Bi O6 -","- C9 H9 Bi O6 -","- C36 H36 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.1431","0.1409","","","0.3432","0.3442","","","","","","1.281","","","","has coordinates","277637","2022-09-05","22:52:19",""
"7711157","11.1327","0.0011","22.4258","0.0017","11.9189","0.0012","90","","113.247","0.012","90","","2734.1","0.5","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N4 O6 Ru S4 -","- C20 H20 F6 N4 O6 Ru S4 -","- C80 H80 F24 N16 O24 Ru4 S16 -","4","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","0.71073","MoKα","","0.0718","0.0654","","","0.1575","0.1611","","","","","","1.034","","","","has coordinates","277638","2022-09-05","22:54:28",""
"7711158","13.5064","0.0003","14.308","0.0003","9.18732","0.00016","90","","91.3511","0.0018","90","","1774.95","0.06","95","2","95","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 O Ru S3 -","- C16 H19 Cl N2 O Ru S3 -","- C64 H76 Cl4 N8 O4 Ru4 S12 -","4","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.083","0.0761","","","0.211","0.2177","","","","","","1.081","","","","has coordinates,has disorder","277638","2022-09-05","22:54:28",""
"7711159","9.26627","0.00012","10.6232","0.0002","17.6628","0.0003","73.7661","0.0017","81.0311","0.0014","88.0351","0.0013","1648.87","0.05","95","2","95","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H32 Cl3 N2 O P Ru S2 -","- C34 H32 Cl3 N2 O P Ru S2 -","- C68 H64 Cl6 N4 O2 P2 Ru2 S4 -","2","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.078","0.076","","","0.2167","0.2211","","","","","","1.079","","","","has coordinates","277638","2022-09-05","22:54:28",""
"7711160","13.28954","0.00011","8.79277","0.00009","30.6796","0.0003","90","","95.1615","0.0009","90","","3570.43","0.06","94","2","94","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 Cl N2 P Ru S2 -","- C41 H37 Cl N2 P Ru S2 -","- C164 H148 Cl4 N8 P4 Ru4 S8 -","4","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.0376","0.0332","","","0.0834","0.0857","","","","","","1.081","","","","has coordinates","277638","2022-09-05","22:54:28",""
"7711161","34.2817","0.0003","34.2817","0.0003","13.16739","0.00012","90","","90","","120","","13401.5","0.2","94","2","94","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H54 N4 P2 Ru2 S4 -","- C64 H54 N4 P2 Ru2 S4 -","- C576 H486 N36 P18 Ru18 S36 -","9","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.0519","0.0475","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has disorder","277638","2022-09-05","22:54:29",""
"7711162","13.2578","0.0002","15.5195","0.0002","10.1768","0.00016","90","","93.6059","0.0014","90","","2089.78","0.05","95","2","95","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cl2 N2 O2 Ru S3 -","- C17 H24 Cl2 N2 O2 Ru S3 -","- C68 H96 Cl8 N8 O8 Ru4 S12 -","4","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","0.71073","MoKα","","0.0231","0.0198","","","0.0476","0.0486","","","","","","1.039","","","","has coordinates","277638","2022-09-05","22:54:29",""
"7711163","14.10525","0.00005","15.03284","0.00006","23.47074","0.00008","90","","104.039","0.0004","90","","4828.14","0.03","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N4 Ru S2 -","- C25 H26 N4 Ru S2 -","- C200 H208 N32 Ru8 S16 -","8","2","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.033","0.0324","","","0.0924","0.093","","","","","","1.03","","","","has coordinates,has disorder","277638","2022-09-05","22:54:29",""
"7711164","9.24161","0.00005","32.47117","0.00013","23.4379","0.00009","90","","95.3008","0.0004","90","","7003.3","0.05","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H30 Cl3 N2 P Ru S2 -","- C32.5 H30 Cl3 N2 P Ru S2 -","- C260 H240 Cl24 N16 P8 Ru8 S16 -","8","2","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS4 (A=Li, Na, K, Rb, Cs): cation size effect induced successive structure transformation","Dalton Transactions","2022","","","","","10.1039/D2DT02321K","","x-ray","1.54184","CuKα","","0.0381","0.0361","","","0.1007","0.1028","","","","","","1.041","","","","has coordinates,has disorder","277638","2022-09-05","22:54:29",""
"7711165","9.6221","0.0005","19.7278","0.001","14.1367","0.0007","90","","93.703","0.003","90","","2677.9","0.2","150.42","","150.42","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl4 P2 -","- C27 H26 Cl4 P2 -","- C108 H104 Cl16 P8 -","4","1","","Miao, linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Reactions of A Lewis acidic methylene phosphonium cationic adduct with olefins","Dalton Transactions","2022","","","","","10.1039/D2DT02855G","","","0.71073","MoKα","","0.0502","0.0362","","","0.0836","0.0911","","","","","","1.035","","","","has coordinates","277639","2022-09-05","22:56:32",""
"7711166","9.1211","0.0019","12.648","0.005","17.55","0.007","86.981","0.007","82.275","0.005","83.804","0.005","1993","1.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F6 O6 P2 S2 -","- C42 H36 F6 O6 P2 S2 -","- C84 H72 F12 O12 P4 S4 -","2","1","","Miao, linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Reactions of A Lewis acidic methylene phosphonium cationic adduct with olefins","Dalton Transactions","2022","","","","","10.1039/D2DT02855G","","","0.71073","MoKα","","0.1232","0.0664","","","0.1688","0.217","","","","","","1.009","","","","has coordinates","277639","2022-09-05","22:56:33",""
"7711167","12.8075","0.0011","19.1511","0.0015","15.4157","0.001","90","","105.509","0.004","90","","3643.5","0.5","150.02","","150.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 O6 P2 S2 -","- C32 H32 F6 O6 P2 S2 -","- C128 H128 F24 O24 P8 S8 -","4","1","","Miao, linkun; Yeganeh, Amir; Yeung, Jason; Stephan, Douglas W.","Reactions of A Lewis acidic methylene phosphonium cationic adduct with olefins","Dalton Transactions","2022","","","","","10.1039/D2DT02855G","","","0.71073","MoKα","","0.1238","0.0687","","","0.157","0.1868","","","","","","1.031","","","","has coordinates","277639","2022-09-05","22:56:33",""
"7711168","11.1327","0.0011","22.4258","0.0017","11.9189","0.0012","90","","113.247","0.012","90","","2734.1","0.5","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F6 N4 O6 Ru S4 -","- C20 H20 F6 N4 O6 Ru S4 -","- C80 H80 F24 N16 O24 Ru4 S16 -","4","1","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","0.71073","MoKα","","0.0718","0.0654","","","0.1575","0.1611","","","","","","1.034","","","","has coordinates","277695","2022-09-06","22:49:35",""
"7711169","13.5064","0.0003","14.308","0.0003","9.18732","0.00016","90","","91.3511","0.0018","90","","1774.95","0.06","95","2","95","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 O Ru S3 -","- C16 H19 Cl N2 O Ru S3 -","- C64 H76 Cl4 N8 O4 Ru4 S12 -","4","1","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.083","0.0761","","","0.211","0.2177","","","","","","1.081","","","","has coordinates,has disorder","277695","2022-09-06","22:49:39",""
"7711170","9.26627","0.00012","10.6232","0.0002","17.6628","0.0003","73.7661","0.0017","81.0311","0.0014","88.0351","0.0013","1648.87","0.05","95","2","95","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H32 Cl3 N2 O P Ru S2 -","- C34 H32 Cl3 N2 O P Ru S2 -","- C68 H64 Cl6 N4 O2 P2 Ru2 S4 -","2","1","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.078","0.076","","","0.2167","0.2211","","","","","","1.079","","","","has coordinates","277695","2022-09-06","22:49:39",""
"7711171","13.28954","0.00011","8.79277","0.00009","30.6796","0.0003","90","","95.1615","0.0009","90","","3570.43","0.06","94","2","94","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 Cl N2 P Ru S2 -","- C41 H37 Cl N2 P Ru S2 -","- C164 H148 Cl4 N8 P4 Ru4 S8 -","4","1","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.0376","0.0332","","","0.0834","0.0857","","","","","","1.081","","","","has coordinates","277695","2022-09-06","22:49:40",""
"7711172","34.2817","0.0003","34.2817","0.0003","13.16739","0.00012","90","","90","","120","","13401.5","0.2","94","2","94","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H54 N4 P2 Ru2 S4 -","- C64 H54 N4 P2 Ru2 S4 -","- C576 H486 N36 P18 Ru18 S36 -","9","0.5","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.0519","0.0475","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has disorder","277695","2022-09-06","22:49:40",""
"7711173","13.2578","0.0002","15.5195","0.0002","10.1768","0.00016","90","","93.6059","0.0014","90","","2089.78","0.05","95","2","95","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cl2 N2 O2 Ru S3 -","- C17 H24 Cl2 N2 O2 Ru S3 -","- C68 H96 Cl8 N8 O8 Ru4 S12 -","4","1","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","0.71073","MoKα","","0.0231","0.0198","","","0.0476","0.0486","","","","","","1.039","","","","has coordinates","277695","2022-09-06","22:49:40",""
"7711174","14.10525","0.00005","15.03284","0.00006","23.47074","0.00008","90","","104.039","0.0004","90","","4828.14","0.03","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N4 Ru S2 -","- C25 H26 N4 Ru S2 -","- C200 H208 N32 Ru8 S16 -","8","2","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.033","0.0324","","","0.0924","0.093","","","","","","1.03","","","","has coordinates,has disorder","277695","2022-09-06","22:49:40",""
"7711175","9.24161","0.00005","32.47117","0.00013","23.4379","0.00009","90","","95.3008","0.0004","90","","7003.3","0.05","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H30 Cl3 N2 P Ru S2 -","- C32.5 H30 Cl3 N2 P Ru S2 -","- C260 H240 Cl24 N16 P8 Ru8 S16 -","8","2","","Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.","Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02219B","","x-ray","1.54184","CuKα","","0.0381","0.0361","","","0.1007","0.1028","","","","","","1.041","","","","has coordinates,has disorder","277695","2022-09-06","22:49:40",""
"7711176","13.6967","0.001","4.1815","0.0003","15.2646","0.001","90","","99.501","0.006","90","","862.25","0.11","323","2","323","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.037","0.0306","","","0.0745","0.0774","","","","","","1.221","","","","has coordinates","277696","2022-09-06","22:50:46",""
"7711177","13.7085","0.001","4.1838","0.0004","15.2884","0.0015","90","","99.57","0.007","90","","864.64","0.14","373","2","373","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.0355","0.0277","","","0.067","0.0703","","","","","","1.067","","","","has coordinates","277696","2022-09-06","22:50:46",""
"7711178","13.79","0.003","4.1971","0.0008","15.412","0.003","90","","99.58","0.03","90","","879.6","0.3","623","2","623","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.1209","0.0516","","","0.1053","0.1278","","","","","","0.974","","","","has coordinates","277696","2022-09-06","22:50:46",""
"7711179","13.7796","0.0015","4.1972","0.0005","15.3805","0.0018","90","","99.564","0.009","90","","877.18","0.18","573","2","573","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.796 Se18 -","- Ag0.8 Bi10.8 Cu2.796 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.0675","0.0385","","","0.0846","0.0959","","","","","","1.028","","","","has coordinates","277696","2022-09-06","22:50:46",""
"7711180","13.7421","0.0015","4.1883","0.0005","15.3147","0.0018","90","","99.587","0.009","90","","869.14","0.18","423","2","423","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.0381","0.0283","","","0.0667","0.0704","","","","","","1.061","","","","has coordinates","277696","2022-09-06","22:50:46",""
"7711181","13.7559","0.0015","4.1949","0.0005","15.3595","0.0017","90","","99.56","0.009","90","","874.01","0.17","523","2","523","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.8 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.0577","0.0377","","","0.0837","0.0922","","","","","","1.062","","","","has coordinates","277696","2022-09-06","22:50:47",""
"7711182","13.7425","0.0011","4.1921","0.0004","15.3395","0.0013","90","","99.552","0.007","90","","871.46","0.13","473","2","473","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag0.8 Bi10.8 Cu2.8 Se18 -","- Ag0.8 Bi10.8 Cu2.796 Se18 -","- Ag0.8 Bi10.8 Cu2.796 Se18 -","1","0.125","","Fraunhofer, Christina; Paul, Theresa; Oeckler, Oliver","Temperature-dependent Cu and Ag ion mobility and associated changes of transport properties in pavonite-type Cu1.4Ag0.4Bi5.4Se9","Dalton Transactions","2022","","","","","10.1039/D2DT01651F","","","0.56083","AgKα","","0.0461","0.0325","","","0.0768","0.0823","","","","","","1.085","","","","has coordinates","277696","2022-09-06","22:50:47",""
"7711183","12.0438","0.0003","25.9455","0.0006","9.4329","0.0002","90","","96.276","0.001","90","","2929.95","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Fe N O P2 -","- C36 H31 Fe N O P2 -","- C144 H124 Fe4 N4 O4 P8 -","4","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0403","0.0352","","","0.0781","0.0804","","","","","","1.111","","","","has coordinates","277697","2022-09-06","22:52:44",""
"7711184","8.7618","0.0003","13.7584","0.0006","15.5032","0.0006","74.449","0.001","80.315","0.001","80.869","0.001","1762.07","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H43 B2 Fe N O2 P2 -","- C39 H43 B2 Fe N O2 P2 -","- C78 H86 B4 Fe2 N2 O4 P4 -","2","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0317","0.0304","","","0.0717","0.0724","","","","","","1.095","","","","has coordinates","277697","2022-09-06","22:52:45",""
"7711185","11.3016","0.0006","12.1891","0.0007","12.2831","0.0006","72.953","0.002","88.173","0.002","72.517","0.002","1540.07","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H30 Cl Fe N O P2 Pd -","- C36 H30 Cl Fe N O P2 Pd -","- C72 H60 Cl2 Fe2 N2 O2 P4 Pd2 -","2","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0229","0.0222","","","0.0574","0.058","","","","","","1.034","","","","has coordinates","277697","2022-09-06","22:52:45",""
"7711186","16.611","0.0008","6.0131","0.0002","29.4131","0.0013","90","","96.128","0.002","90","","2921.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Fe N P2 -","- C36 H33 Fe N P2 -","- C144 H132 Fe4 N4 P8 -","4","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0462","0.0447","","","0.1061","0.107","","","","","","1.137","","","","has coordinates","277697","2022-09-06","22:52:45",""
"7711187","10.832","0.0008","13.509","0.0011","15.898","0.0013","95.401","0.003","107.996","0.003","91.805","0.003","2198.2","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H41 F12 Fe N O2 P2 Pd Sb2 -","- C40 H41 F12 Fe N O2 P2 Pd Sb2 -","- C80 H82 F24 Fe2 N2 O4 P4 Pd2 Sb4 -","2","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0594","0.0554","","","0.1321","0.1342","","","","","","1.359","","","","has coordinates,has disorder","277697","2022-09-06","22:52:45",""
"7711188","14.6271","0.0003","19.8015","0.0004","25.4081","0.0005","90","","90","","90","","7359.2","0.3","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 Cl3 Fe N O1.5 P2 Pd -","- C36 H36 Cl2 Fe N O1.5 P2 Pd -","- C288 H288 Cl16 Fe8 N8 O12 P16 Pd8 -","8","2","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0267","0.0243","","","0.0459","0.0466","","","","","","1.049","","","","has coordinates,has disorder","277697","2022-09-06","22:52:45",""
"7711189","10.6187","0.0006","15.7642","0.001","23.9021","0.0016","90","","101.945","0.002","90","","3914.5","0.4","120","2","120","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl F6 Fe N O P2 Pd Sb -","- C39 H39 Cl F6 Fe N O P2 Pd Sb -","- C156 H156 Cl4 F24 Fe4 N4 O4 P8 Pd4 Sb4 -","4","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0279","0.0254","","","0.0503","0.0515","","","","","","1.144","","","","has coordinates,has disorder","277697","2022-09-06","22:52:45",""
"7711190","9.7041","0.0003","10.3958","0.0003","16.2586","0.0005","91.82","0.001","94.537","0.001","99.729","0.001","1609.84","0.08","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H31 Cl2 Fe N O P2 Pd -","- C36 H31 Cl2 Fe N O P2 Pd -","- C72 H62 Cl4 Fe2 N2 O2 P4 Pd2 -","2","1","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0224","0.0198","","","0.0457","0.0472","","","","","","1.037","","","","has coordinates","277697","2022-09-06","22:52:46",""
"7711191","12.6436","0.0008","3.8107","0.0003","29.172","0.0019","90","","90.8","0.002","90","","1405.4","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Vinogradova, Katerina A.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Tuning ESIPT-coupled luminescence by expanding π-conjugation of a proton acceptor moiety in ESIPT-capable zinc(II) complexes with 1-hydroxy-1H-imidazole-based ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02460H","","","0.71073","MoKα","","0.066","0.0457","","","0.1182","0.1301","","","","","","1.005","","","","has coordinates","277698","2022-09-06","22:54:14",""
"7711192","8.6131","0.0001","8.8588","0.0002","13.9114","0.0003","100.513","0.001","95.759","0.001","116.975","0.001","909.57","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C36 H28 Br4 N8 O2 Zn2 -","2","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Vinogradova, Katerina A.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Tuning ESIPT-coupled luminescence by expanding π-conjugation of a proton acceptor moiety in ESIPT-capable zinc(II) complexes with 1-hydroxy-1H-imidazole-based ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02460H","","","0.71073","MoKα","","0.0217","0.0191","","","0.058","0.0596","","","","","","0.899","","","","has coordinates","277698","2022-09-06","22:54:15",""
"7711193","7.7585","0.0004","8.8124","0.0003","14.2538","0.0006","73.24","0.001","85.065","0.002","69.358","0.001","873.11","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C36 H28 Cl4 N8 O2 Zn2 -","2","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Vinogradova, Katerina A.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Tuning ESIPT-coupled luminescence by expanding π-conjugation of a proton acceptor moiety in ESIPT-capable zinc(II) complexes with 1-hydroxy-1H-imidazole-based ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02460H","","","0.71073","MoKα","","0.0379","0.0305","","","0.0781","0.0808","","","","","","1.087","","","","has coordinates","277698","2022-09-06","22:54:15",""
"7711194","7.8596","0.0003","8.1625","0.0003","16.6942","0.0007","93.867","0.002","99.89","0.002","111.278","0.002","973.29","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 I2 N4 O Zn -","- C18 H14 I2 N4 O Zn -","- C36 H28 I4 N8 O2 Zn2 -","2","1","","Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Berezin, Alexey Sergeevich; Plyusnin, Victor F.; Vinogradova, Katerina A.; Naumov, Dmitry Y.; Pervukhina, Natalie V.; Tikhonov, Alexsei Ya.; Bushuev, Mark B.","Tuning ESIPT-coupled luminescence by expanding π-conjugation of a proton acceptor moiety in ESIPT-capable zinc(II) complexes with 1-hydroxy-1H-imidazole-based ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02460H","","","0.71073","MoKα","","0.0387","0.0309","","","0.0734","0.0766","","","","","","1.095","","","","has coordinates","277698","2022-09-06","22:54:15",""
"7711195","8.6493","0.0008","14.1766","0.0013","12.8875","0.0012","90","","106.311","0.003","90","","1516.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mer-[InCl3(pzH)3]","InCl3(C3N2H4)3","","- C9 H12 Cl3 In N6 -","- C9 H12 Cl3 In N6 -","- C36 H48 Cl12 In4 N24 -","4","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0216","0.0181","","","0.0364","0.0378","","","","","","1.161","","","","has coordinates","277723","2022-09-07","23:04:47",""
"7711196","6.8851","0.0011","10.5525","0.0018","12.437","0.002","78.541","0.005","89.43","0.005","87.01","0.005","884.4","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","mer-[InCl3(4-Cl-pzH)3]","InCl3(N2C3ClH3)3","","- C9 H9 Cl6 In N6 -","- C9 H9 Cl6 In N6 -","- C18 H18 Cl12 In2 N12 -","2","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0259","0.0238","","","0.054","0.0554","","","","","","1.106","","","","has coordinates","277723","2022-09-07","23:04:50",""
"7711197","21.9388","0.0008","13.6898","0.0005","14.7364","0.0006","90","","103.378","0.001","90","","4305.8","0.3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","mer-[InCl3(4-I-pzH)3]","InCl3(N2C3IH3)3","","- C9 H9 Cl3 I3 In N6 -","- C9 H9 Cl3 I3 In N6 -","- C72 H72 Cl24 I24 In8 N48 -","8","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0661","0.0402","","","0.0648","0.0716","","","","","","1.034","","","","has coordinates","277723","2022-09-07","23:04:50",""
"7711198","21.5137","0.0018","13.4766","0.0011","14.5898","0.0012","90","","103.642","0.002","90","","4110.7","0.6","296","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","mer-[InCl3(4-Br-pzH)3].(C3H6O)","InCl3(N2C3BrH3)3","","- C12 H15 Br3 Cl3 In N6 O -","- C9 H9 Br3 Cl3 In N6 -","- C72 H72 Br24 Cl24 In8 N48 -","8","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0646","0.0528","","","0.14","0.1517","","","","","","1.015","","","","has coordinates","277723","2022-09-07","23:04:51",""
"7711199","9.3323","0.0019","16.936","0.003","13.806","0.003","90","","92.046","0.005","90","","2180.7","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mer-[InCl3(3,5-Me2-pzH)3(H2O)]","InCl3(N2C5H8)3(H2O)","","- C15 H25 Cl3 In N6 O0.5 -","- C15 H25 Cl3 In N6 O0.5 -","- C60 H100 Cl12 In4 N24 O2 -","4","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0631","0.0437","","","0.0851","0.0914","","","","","","1.121","","","","has coordinates","277723","2022-09-07","23:04:52",""
"7711200","17.185","0.002","17.185","0.002","18.443","0.002","90","","90","","120","","4716.9","0.9","296","2","296.15","","","","","","","","","6","P 63/m","-P 6c","176","(pipH)3[In6Cl6(Â?-4-Ph-pz)6(Â?-OH)6(Â?3-OH0.5)2]","(NC5H12)3[In6Cl6(N2C9H7)6(OH)7O]","","- C72 H91 Cl6 In6 N15 O9 -","- C69 H85 Cl6 In6 N15 O8 -","- C138 H170 Cl12 In12 N30 O16 -","2","0.166667","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0418","0.0282","","","0.0631","0.0744","","","","","","1.143","","","","has coordinates","277723","2022-09-07","23:04:52",""
"7711201","18.801","0.005","19.503","0.005","20.281","0.005","114.005","0.002","91.512","0.003","91.947","0.003","6783","3","298","","298","","","","","","","","","6","P -1","-P 1","2","(pipH)3[In6Cl6(?-pz)6(?-OH)6(?3-OH0.5)2]","(NC5H12)3[In6Cl6N12C18H25O8]","","- C72 H133 Cl12 In12 N30 O18 -","- C72 H133 Cl12 In12 N30 O18 -","- C144 H266 Cl24 In24 N60 O36 -","2","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0615","0.0361","","","0.0753","0.0851","","","","","","1.028","","","","has coordinates","277723","2022-09-07","23:04:53",""
"7711202","15.299","0.003","15.995","0.003","34.526","0.006","90","","93.324","0.002","90","","8435","3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(pipH)3[In6Cl6(4-Cl-pz)6(OH)6(OH0.5)2]","(NC5H12)3[In6Cl6(C3N2H2Cl)6(OH)7(O)]","","- C49 H91 Cl14 In6 N17 O10 -","- C46 H85 Cl14 In6 N17 O9 -","- C184 H340 Cl56 In24 N68 O36 -","4","1","","Herrera, Susana; Rivero, Kennett I.; Guzmán, Alexis; Cedeño, Jonathan; Miksovska, Jaroslava; Raptis, Raphael G.","Mononuclear, hexanuclear and polymeric indium(iii) pyrazolido complexes; structural characterization, dynamic solution studies and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT01901A","","","0.71073","MoKα","","0.0492","0.0338","","","0.0642","0.074","","","","","","1.067","","","","has coordinates","277723","2022-09-07","23:04:54",""
"7711203","20.0733","0.0007","28.8085","0.0014","16.2113","0.0005","90","","123.249","0.001","90","","7840","0.5","297","2","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H54 N2 O24 Tb2 -","- C67 H54 N2 O24 Tb2 -","- C268 H216 N8 O96 Tb8 -","4","0.5","","Ren, Tai-Lin; Zhang, Xiao-Nuan; Hu, Jun-Jie; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan","Stable Terbium Metal-organic Framework with Turn-on and Blue-shift Fluorescence Sensing for Acidic Amino Acids (L-aspartate, L-glutamine) and Cations (Al3+, Ga3+)","Dalton Transactions","2022","","","","","10.1039/D2DT02632E","","","0.71073","MoKα","","0.1437","0.0559","","","0.1249","0.1682","","","","","","1.007","","","","has coordinates,has disorder","277724","2022-09-07","23:06:01",""
"7711204","9.2661","0.0005","10.977","0.0005","15.4545","0.0006","95.821","0.004","98.126","0.004","107.294","0.004","1468.6","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 Cl N5 O3 Re -","- C34 H21 Cl N5 O3 Re -","- C68 H42 Cl2 N10 O6 Re2 -","2","1","","Szłapa-Kula, Agata; Palion-Gazda, Joanna; Ledwon, Przemyslaw; Erfurt, Karol; Machura, Barbara","A fundamental role of the solvent polarity and remote substitution of the 2-(4-R-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline framework in controlling the ground- and excited-state properties of Re(i) chromophores [ReCl(CO)3(R-C6H4-imphen)]","Dalton Transactions","2022","","","","","10.1039/D2DT02439J","","x-ray","0.71073","MoKα","","0.0438","0.0377","","","0.0795","0.0815","","","","","","1.158","","","","has coordinates","277725","2022-09-07","23:06:24",""
"7711205","5.93","0.005","12.326","0.011","7.941","0.007","90","","90.311","0.011","90","","580.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li S3 Sb Sr -","- Li S3 Sb Sr -","- Li4 S12 Sb4 Sr4 -","4","1","","Yalikun, Alimujiang; Zhang, Kewang; Han, Jian; Yang, Zhihua","LiSrSbS3: parallel configurations of lone pair electrons inducing a large birefringence","Dalton Transactions","2022","","","","","10.1039/D2DT01698B","","","0.71073","MoKα","","0.035","0.0281","","","0.0652","0.0677","","","","","","1.087","","","","has coordinates","277736","2022-09-08","22:45:59",""
"7711206","14.5272","0.0013","14.529","0.0014","15.8434","0.0015","94.4274","0.0019","99.9833","0.0018","116.599","0.0015","2898.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 Ag F3 N4 O5 S -","- C67 H64 Ag F3 N4 O5 S -","- C134 H128 Ag2 F6 N8 O10 S2 -","2","1","","Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor","Dalton Transactions","2022","","","","","10.1039/D2DT01581A","","","0.71073","MoKα","","0.0603","0.0493","","","0.1134","0.1202","","","","","","1.038","","","","has coordinates","277737","2022-09-08","22:46:36",""
"7711207","19.4648","0.0013","21.0751","0.0014","14.7014","0.001","90","","90","","90","","6030.8","0.7","90","2","90","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H72 Ag Cl2 F3 N4 O5 S -","- C71 H72 Ag Cl2 F3 N4 O5 S -","- C284 H288 Ag4 Cl8 F12 N16 O20 S4 -","4","1","","Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor","Dalton Transactions","2022","","","","","10.1039/D2DT01581A","","","0.71073","MoKα","","0.0296","0.0281","","","0.0713","0.0724","","","","","","1.01","","","","has coordinates","277737","2022-09-08","22:46:36",""
"7711208","9.6756","0.0003","17.8862","0.0005","16.4972","0.0005","90","","92.369","0.002","90","","2852.56","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 B Cl N6 Zn -","- C27 H38 B Cl N6 Zn -","- C108 H152 B4 Cl4 N24 Zn4 -","4","1","","Sherbow, Tobias J.; Li, Keyan; Zakharov, Lev N.; Pluth, Michael D.","Synthesis and reactivity of a tris(carbene) zinc chloride complex","Dalton Transactions","2022","","","","","10.1039/D2DT02809C","","","1.54178","CuKα","","0.0429","0.0362","","","0.1006","0.1059","","","","","","0.908","","","","has coordinates","277738","2022-09-08","22:47:36",""
"7711209","10.687","0.0009","16.4527","0.0014","18.4919","0.0015","90","","105.538","0.004","90","","3132.6","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B N6 Zn -","- C31 H47 B N6 Zn -","- C124 H188 B4 N24 Zn4 -","4","1","","Sherbow, Tobias J.; Li, Keyan; Zakharov, Lev N.; Pluth, Michael D.","Synthesis and reactivity of a tris(carbene) zinc chloride complex","Dalton Transactions","2022","","","","","10.1039/D2DT02809C","","","1.54178","CuKα","","0.0404","0.0363","","","0.098","0.1014","","","","","","1.048","","","","has coordinates,has disorder","277738","2022-09-08","22:47:36",""
"7711210","18.5324","0.0014","19.6563","0.0015","41.276","0.003","90","","90","","90","","15036","1.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H49 B N6 O1.25 S4 Zn -","- C31 H46 B N6 O S4 Zn -","- C496 H736 B16 N96 O16 S64 Zn16 -","16","2","","Sherbow, Tobias J.; Li, Keyan; Zakharov, Lev N.; Pluth, Michael D.","Synthesis and reactivity of a tris(carbene) zinc chloride complex","Dalton Transactions","2022","","","","","10.1039/D2DT02809C","","","1.54178","CuKα","","0.1304","0.0759","","","0.1827","0.2145","","","","","","1.023","","","","has coordinates,has disorder","277738","2022-09-08","22:47:36",""
"7711211","17.097","0.0004","17.097","0.0004","19.4378","0.0008","90","","90","","120","","4920.6","0.3","180","2","180","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H90 Cr6 P6 S8 -","- C36 H90 Cr6 P6 S8 -","- C108 H270 Cr18 P18 S24 -","3","0.166667","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0317","0.0266","","","0.0714","0.0733","","","","","","1.075","","","","has coordinates","277739","2022-09-08","22:48:46",""
"7711212","17.289","0.002","17.289","0.002","19.544","0.004","90","","90","","120","","5059.2","1.3","180","","180","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H90 Cr6 P6 Se8 -","- C36 H90 Cr6 P6 Se8 -","- C108 H270 Cr18 P18 Se24 -","3","0.166667","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0264","0.0236","","","0.0648","0.0657","","","","","","1.038","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711213","13.422","0.003","19.68","0.004","24.135","0.005","90","","104","0.03","90","","6186","2","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H90 Cr6 P6 Te8 -","- C36 H90 Cr6 P6 Te8 -","- C144 H360 Cr24 P24 Te32 -","4","0.5","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","synchrotron","0.8","synchrotron","","0.0284","0.027","","","0.0709","0.0718","","","","","","1.081","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711214","11.7892","0.0004","12.623","0.0005","20.2222","0.0007","88.924","0.003","87.547","0.003","72.177","0.003","2862.26","0.19","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H90 Cr6 P6 S8 -","- C36 H90 Cr6 P6 S8 -","- C72 H180 Cr12 P12 S16 -","2","1","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0539","0.0327","","","0.07","0.0744","","","","","","0.95","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711215","11.9406","0.0005","12.7868","0.0005","20.2165","0.0008","88.733","0.003","87.029","0.003","71.591","0.003","2924.7","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H90 Cr6 P6 Se8 -","- C36 H90 Cr6 P6 Se8 -","- C72 H180 Cr12 P12 Se16 -","2","1","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","x-ray","0.71073","MoKα","","0.0499","0.0366","","","0.0866","0.0911","","","","","","1.04","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711216","9.172","0.005","13.16","0.008","19.751","0.013","90","","90","","90","","2384","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Co N8 O3 -","- C18 H18 Cl2 Co N8 O3 -","- C72 H72 Cl8 Co4 N32 O12 -","4","1","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","0.71073","MoKα","","0.1713","0.1032","","","0.2707","0.3709","","","","","","1.234","","","","has coordinates","277740","2022-09-08","22:50:09",""
"7711217","8.2052","0.0005","8.6632","0.0005","11.9123","0.0004","86.849","0.004","75.453","0.004","62.022","0.006","721.87","0.08","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Co N8 O6 -","- C20 H20 Cl2 Co N8 O4 -","- C20 H20 Cl2 Co N8 O4 -","1","0.5","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","1.54178","CuKα","","0.0619","0.0592","","","0.1662","0.1702","","","","","","1.0517","","","","has coordinates","277740","2022-09-08","22:50:09",""
"7711218","8.2037","0.0003","8.8646","0.0004","10.5178","0.0005","80.73","0.004","87.961","0.003","77.741","0.004","737.68","0.06","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl2 Co N8 O12 -","- C20 H28 Cl2 Co N8 O12 -","- C20 H28 Cl2 Co N8 O12 -","1","0.5","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","0.71073","MoKα","","0.0525","0.0435","","","0.1187","0.1269","","","","","","1.0698","","","","has coordinates","277740","2022-09-08","22:50:10",""
"7711219","16.6231","0.0003","8.27","0.0002","24.4235","0.0004","90","","90","","90","","3357.57","0.12","293","2","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H28 Cl2 Co N8 O15 -","- C23 H28 Cl2 Co N8 O15 -","- C92 H112 Cl8 Co4 N32 O60 -","4","1","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","0.71073","MoKα","","0.0841","0.0747","","","0.1801","0.1857","","","","","","1.0722","","","","has coordinates","277740","2022-09-08","22:50:10",""
"7711220","10.3016","0.0004","11.3105","0.0004","18.0656","0.0006","72.101","0.002","89.93","0.002","71.389","0.002","1887.33","0.12","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N6 O5 -","- C34 H26 Cd N6 O5 -","- C68 H52 Cd2 N12 O10 -","2","1","","Lei, Ming-Yuan; Ge, Fa-Yuan; Wu, Tingting; Duan, Xinde; Shi, Zhi-Qiang; Zheng, Hegen","A stable Cd-MOF as a dual-responsive luminescent biosensor for determination of urinary diphenyl phosphate and hippuric acid as biomarkers for human triphenyl phosphate and toluene poisoning","Dalton Transactions","2022","","","","","10.1039/D2DT02141B","","","1.34139","GaKα","","0.0648","0.049","","","0.1216","0.1314","","","","","","0.97","","","","has coordinates","277755","2022-09-09","22:41:52",""
"7711221","29.925","0.0006","29.925","0.0006","11.2727","0.0003","90","","90","","90","","10094.8","0.4","200","2","200","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C176 H176 Co16 N16 O64 -","- C144 H128 Co16 O64 -","- C288 H256 Co32 O128 -","2","0.25","","Brechin, Euan K.; Tsami, Pinelopi A.; Tziotzi, Thomais G.; Tsanai, Angelos B.; Singh, Mukesh; Dalgarno, Scott; Milios, Constantinos J.","A ferromagnetically coupled pseudo-calixarene [Co16] wheel that self-assembles as a tubular network of capsules","Dalton Transactions","2022","","","","","10.1039/D2DT02554J","","","1.54178","CuKα","","0.0594","0.0436","","","0.1185","0.126","","","","","","1.046","","","","has coordinates,has disorder","277756","2022-09-09","22:42:26",""
"7711222","31.9051","0.0005","31.9051","0.0005","11.0913","0.0003","90","","90","","90","","11290.2","0.4","190","2","190","2","","","","","","","","5","P 4/n b m :2","-P 4a 2b","125","","","","- C134 H88 N32 O25 Zn8 -","- C134 H88 N32 O25 Zn8 -","- C268 H176 N64 O50 Zn16 -","2","0.125","","Chen, Jing-Ru; Zheng, Li-Na; Meng, Xin-Wei; Gao, Zhan-Yao; Zhao, Jing; Liu, Bo; Ding, Tao","An anionic Zn-MOF composed of 1D columnar SBUs for highly C2H2/CH4 selective adsorption, dye adsorption and fluorescence sensing","Dalton Transactions","2022","","","","","10.1039/D2DT02518C","","","1.34139","GaKα","","0.1258","0.1072","","","0.2753","0.2874","","","","","","0.992","","","","has coordinates,has disorder","277779","2022-09-12","22:53:24",""
"7711223","8.0611","0.0009","7.9599","0.0005","9.4045","0.001","90","","109.959","0.003","90","","567.2","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Cd O16 S4 -","- B2 Cd O16 S4 -","- B4 Cd2 O32 S8 -","2","0.5","","Bruns, Jörn; Höppe, Henning A.; Hämmer, Matthias; Pasqualini, Leonard C.; Huppertz, Hubert; Sebastian, Sean","Cd[B2(SO4)4] and H2[B2(SO4)4] – A phyllosilicate analogue borosulfate and its homeotypic heteropolyacid","Dalton Transactions","2022","","","","","10.1039/D2DT02344J","","","0.71073","MoKα","","0.0163","0.0143","","","0.0379","0.0386","","","","","","1.138","","","","has coordinates","277780","2022-09-12","22:54:01",""
"7711224","7.4566","0.0007","8.126","0.0006","8.1597","0.0007","117.306","0.003","115.322","0.003","93.114","0.003","377.3","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C2 H8 Ag N2 O4 Re -","- C2 H8 Ag N2 O4 Re -","- C4 H16 Ag2 N4 O8 Re2 -","2","1","","Bruns, Jörn; Höppe, Henning A.; Hämmer, Matthias; Pasqualini, Leonard C.; Huppertz, Hubert; Sebastian, Sean","Cd[B2(SO4)4] and H2[B2(SO4)4] – A phyllosilicate analogue borosulfate and its homeotypic heteropolyacid","Dalton Transactions","2022","","","","","10.1039/D2DT02344J","","","0.71073","MoKα","","0.0155","0.0151","","","0.0348","0.035","","","","","","1.0692","","","","has coordinates","277780","2022-09-12","22:54:02",""
"7711225","23.1315","0.0019","11.7069","0.001","17.5826","0.0015","90","","110.173","0.003","90","","4469.3","0.7","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Cl3 N6 O4 -","- C41 H37 Cl3 N6 O4 -","- C164 H148 Cl12 N24 O16 -","4","1","","Mandal, Jayanta; Pal, Kunal; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Panja, Anangamohan; Banerjee, Snehasis; Saha, Amrita","Rhodamine-azo based two fluorescent probes for recognition of trivalent metal ions: crystal structures elucidation and biological application","Dalton Transactions","2022","","","","","10.1039/D2DT00399F","","","0.71073","MoKα","","0.1513","0.0861","","","0.2458","0.2998","","","","","","0.993","","","","has coordinates,has disorder","277781","2022-09-12","22:55:26",""
"7711226","9.2184","0.0007","13.4158","0.001","17.3821","0.0013","84.617","0.003","78.146","0.003","76.103","0.003","2040","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 Cl3 N6 O4 -","- C42 H41 Cl3 N6 O4 -","- C84 H82 Cl6 N12 O8 -","2","1","","Mandal, Jayanta; Pal, Kunal; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Panja, Anangamohan; Banerjee, Snehasis; Saha, Amrita","Rhodamine-azo based two fluorescent probes for recognition of trivalent metal ions: crystal structures elucidation and biological application","Dalton Transactions","2022","","","","","10.1039/D2DT00399F","","","0.71073","MoKα","","0.1435","0.0794","","","0.1588","0.1903","","","","","","1.038","","","","has coordinates,has disorder","277781","2022-09-12","22:55:27",""
"7711227","13.9132","0.0012","16.3851","0.0014","19.9383","0.0017","92.089","0.003","106.005","0.003","90.341","0.003","4365.6","0.7","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H83 Al N15 O11 -","- C83 H83 Al N15 O11 -","- C166 H166 Al2 N30 O22 -","2","1","","Mandal, Jayanta; Pal, Kunal; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Panja, Anangamohan; Banerjee, Snehasis; Saha, Amrita","Rhodamine-azo based two fluorescent probes for recognition of trivalent metal ions: crystal structures elucidation and biological application","Dalton Transactions","2022","","","","","10.1039/D2DT00399F","","","0.71073","MoKα","","0.1618","0.0873","","","0.1971","0.2378","","","","","","1.024","","","","has coordinates","277781","2022-09-12","22:55:27",""
"7711228","16.651","0.016","20.317","0.019","28.03","0.03","106.557","0.014","94.278","0.018","114.051","0.014","8101","14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H170 Al2 N28 O35 -","- C164 H167 Al2 N28 O35 -","- C328 H334 Al4 N56 O70 -","2","1","","Mandal, Jayanta; Pal, Kunal; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Panja, Anangamohan; Banerjee, Snehasis; Saha, Amrita","Rhodamine-azo based two fluorescent probes for recognition of trivalent metal ions: crystal structures elucidation and biological application","Dalton Transactions","2022","","","","","10.1039/D2DT00399F","","","0.71073","MoKα","","0.2121","0.0811","","","0.2022","0.2781","","","","","","1.017","","","","has coordinates,has disorder","277781","2022-09-12","22:55:27",""
"7711229","10.039","0.0004","11.2202","0.0004","17.432","0.0006","102.59","0.002","97.846","0.002","107.829","0.002","1780.1","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 N2 O4 Sb -","- C38 H45 N2 O4 Sb -","- C76 H90 N4 O8 Sb2 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0668","0.0443","","","0.0762","0.0826","","","","","","1.078","","","","has coordinates,has disorder","277818","2022-09-13","22:51:42",""
"7711230","22.8568","0.0007","10.9255","0.0004","28.4085","0.0008","90","","90","","90","","7094.2","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H45 Bi N2 O4 -","- C38 H45 Bi N2 O4 -","- C304 H360 Bi8 N16 O32 -","8","2","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.1213","0.0632","","","0.081","0.0928","","","","","","1.005","","","","has coordinates","277818","2022-09-13","22:51:42",""
"7711231","11.405","0.002","14.254","0.003","14.96","0.003","72.64","0.008","70.438","0.009","68.085","0.009","2083.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 As N2 O8 -","- C44 H50 As N2 O8 -","- C88 H100 As2 N4 O16 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0874","0.0617","","","0.1599","0.1712","","","","","","1.1","","","","has coordinates,has disorder","277818","2022-09-13","22:51:42",""
"7711232","10.2024","0.0007","11.4261","0.0007","16.6186","0.001","102.369","0.003","99.956","0.003","107.749","0.003","1742.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 As N2 O4 -","- C38 H45 As N2 O4 -","- C76 H90 As2 N4 O8 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0629","0.0494","","","0.1125","0.1211","","","","","","1.057","","","","has coordinates,has disorder","277818","2022-09-13","22:51:43",""
"7711233","11.1958","0.0005","12.5602","0.0006","12.8491","0.0006","89.006","0.002","80.927","0.002","80.477","0.002","1759.59","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 As N2 O4 -","- C38 H47 As N2 O4 -","- C76 H94 As2 N4 O8 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0466","0.0344","","","0.0748","0.0795","","","","","","1.045","","","","has coordinates","277818","2022-09-13","22:51:43",""
"7711234","30.1953","0.0013","10.8768","0.0005","25.0422","0.0016","90","","123.443","0.001","90","","6862.9","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 As N2 O4 -","- C38 H47 As N2 O4 -","- C304 H376 As8 N16 O32 -","8","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0638","0.0411","","","0.0779","0.0855","","","","","","1.028","","","","has coordinates","277818","2022-09-13","22:51:43",""
"7711235","11.361","0.003","14.19","0.003","15.078","0.003","89.581","0.008","71.665","0.009","66.48","0.009","2096.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H51 N2 O8 Sb -","- C44 H51 N2 O8 Sb -","- C88 H102 N4 O16 Sb2 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0369","0.0282","","","0.0644","0.0684","","","","","","1","","","","has coordinates","277818","2022-09-13","22:51:43",""
"7711236","9.8206","0.0004","10.014","0.0004","19.3579","0.0006","91.373","0.002","103.932","0.002","104.657","0.002","1780.27","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H47 N2 O4 Sb -","- C38 H47 N2 O4 Sb -","- C76 H94 N4 O8 Sb2 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0399","0.0329","","","0.0746","0.0771","","","","","","1.085","","","","has coordinates","277818","2022-09-13","22:51:43",""
"7711237","8.7928","0.0003","11.5342","0.0004","20.5702","0.0007","76.875","0.002","87.983","0.002","77.437","0.002","1982.82","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H51 N2 O4 Sb -","- C44 H51 N2 O4 Sb -","- C88 H102 N4 O8 Sb2 -","2","1","","Hejda, Martin; Zechovský, Jan; Kremláček, Vít; Erben, Milan; Rychagova, Elena A.; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey Yu.; Dostál, Libor","Beyond simple hetero Diels-Alder Cycloadditions. A New Type of Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.","Dalton Transactions","2022","","","","","10.1039/D2DT02499C","","","0.71073","MoKα","","0.0402","0.0315","","","0.0674","0.0702","","","","","","1.085","","","","has coordinates","277818","2022-09-13","22:51:43",""
"7711238","7.5289","0.001","6.4534","0.0007","12.4902","0.0019","90","","98.716","0.006","90","","599.85","0.14","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Cs H2 O6 -","- B3 Cs H2 O6 -","- B12 Cs4 H8 O24 -","4","1","","Wang, Xinyue; Zhang, Bingbing; Yang, Daqing; Wang, Ying","CsB3O4(OH)2: A new deep-ultraviolet birefringent crystal with [B3O4(OH)2] anionic group","Dalton Transactions","2022","","","","","10.1039/D2DT02573F","","x-ray","0.71073","MoKα","","0.0658","0.038","","","0.0778","0.0867","","","","","","1.069","","","","has coordinates","277819","2022-09-13","22:52:43",""
"7711239","8.9256","0.0003","19.1901","0.0004","22.0658","0.0007","108.594","0.002","93.475","0.003","94.909","0.002","3553.58","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H66 N4 O7 S2 Zn2 -","- C86 H66 N4 O7 S2 Zn2 -","- C172 H132 N8 O14 S4 Zn4 -","2","1","","Zheng, Han-Wen; Yang, Dong-Dong; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiangjun","Multistimuli-responsive Materials Based on Zinc(II) Complex with High-contrast and Multicolor Switching","Dalton Transactions","2022","","","","","10.1039/D2DT02435G","","x-ray","1.54184","CuKα","","0.0734","0.0583","","","0.1518","0.1604","","","","","","1.031","","","","has coordinates","277851","2022-09-14","22:49:16",""
"7711240","19.075","0.004","16.976","0.003","18.802","0.004","90","","108.26","0.03","90","","5782","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Fe4 N12 O10 Se4 -","- C44 H56 Fe4 N12 O10 Se4 -","- C176 H224 Fe16 N48 O40 Se16 -","4","0.5","","Shin, Jong Won; Ullah , Ihsan; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Air oxidation-induced single-crystal-to-single-crystal transformation of a mixed-valence tetranuclear Fe(II)-Fe(III) complex","Dalton Transactions","2022","","","","","10.1039/D2DT02551E","","","0.7","synchrotron","","0.1492","0.0839","","","0.2543","0.3001","","","","","","0.998","","","","has coordinates","277852","2022-09-14","22:50:03",""
"7711241","18.912","0.004","17.656","0.004","20.462","0.004","90","","110.52","0.03","90","","6399","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H78 Fe4 N12 O13 Se4 -","- C47 H70 Fe4 N12 O11 Se4 -","- C188 H280 Fe16 N48 O44 Se16 -","4","0.5","","Shin, Jong Won; Ullah , Ihsan; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik","Air oxidation-induced single-crystal-to-single-crystal transformation of a mixed-valence tetranuclear Fe(II)-Fe(III) complex","Dalton Transactions","2022","","","","","10.1039/D2DT02551E","","","0.65","synchrotron","","0.053","0.0411","","","0.1141","0.1197","","","","","","1.054","","","","has coordinates","277852","2022-09-14","22:50:04",""
"7711242","13.942","0.002","13.1857","0.0019","18.636","0.003","90","","111.414","0.003","90","","3189.4","0.8","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co N8 O7 -","- C32 H30 Co N8 O7 -","- C128 H120 Co4 N32 O28 -","4","1","","Dai, Siyu; Liu, Yuqi; Mei, Yunjie; Hu, Jue; Wang, Kaiming; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Luo, Huilong; Li, Wei","Iron-doped novel Co-based metal-organic frameworks for preparation of bifunctional catalysts with amorphous structure for OER/HER in alkaline solution","Dalton Transactions","2022","","","","","10.1039/D2DT01837C","","","0.71073","MoKα","","0.1098","0.0548","","","0.1224","0.1534","","","","","","0.991","","","","has coordinates,has disorder","277853","2022-09-14","22:50:34",""
"7711243","9.8225","0.0014","10.8321","0.0016","12.0244","0.0018","70.529","0.002","68.63","0.002","76.18","0.002","1113.2","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N10 O18 Zn2 -","- C40 H42 N10 O18 Zn2 -","- C40 H42 N10 O18 Zn2 -","1","0.5","","Pramanik, Abhishek; Majumder, Samit; Sparkes, Hazel A.; Mohanta, Sasankasekhar","A metal complex based fluorescent chemodosimeter for selective detection of 2,4-dinitrophenol and picric acid in aqueous media","Dalton Transactions","2022","","","","","10.1039/D2DT01808J","","","0.71073","MoKα","","0.0335","0.0308","","","0.1118","0.1153","","","","","","1.016","","","","has coordinates","277854","2022-09-14","22:51:08",""
"7711244","14.3387","0.0007","10.7536","0.0006","14.2438","0.0008","90","","90.723","0.003","90","","2196.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N13 O Zn2 -","- C16 H25 N13 O Zn2 -","- C64 H100 N52 O4 Zn8 -","4","1","","Pramanik, Abhishek; Majumder, Samit; Sparkes, Hazel A.; Mohanta, Sasankasekhar","A metal complex based fluorescent chemodosimeter for selective detection of 2,4-dinitrophenol and picric acid in aqueous media","Dalton Transactions","2022","","","","","10.1039/D2DT01808J","","","0.71073","MoKα","","0.0663","0.0544","","","0.1212","0.1262","","","","","","1.163","","","","has coordinates,has disorder","277854","2022-09-14","22:51:08",""
"7711245","9.348","0.002","11.044","0.003","12.043","0.003","68.942","0.002","67.591","0.002","89.678","0.002","1060.2","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N8 O14 Zn2 -","- C40 H44 N8 O14 Zn2 -","- C40 H44 N8 O14 Zn2 -","1","0.5","","Pramanik, Abhishek; Majumder, Samit; Sparkes, Hazel A.; Mohanta, Sasankasekhar","A metal complex based fluorescent chemodosimeter for selective detection of 2,4-dinitrophenol and picric acid in aqueous media","Dalton Transactions","2022","","","","","10.1039/D2DT01808J","","","0.71073","MoKα","","0.0607","0.0386","","","0.1008","0.1146","","","","","","1.017","","","","has coordinates,has disorder","277854","2022-09-14","22:51:08",""
"7711246","12.3988","0.0001","17.1757","0.0001","12.3203","0.0001","90","","92.75","0.001","90","","2620.69","0.03","100","2","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br Mn N2 O3 -","- C12 H8 Br Mn N2 O3 -","- C96 H64 Br8 Mn8 N16 O24 -","8","1","","Habashy, Danira A.; Khaled, Rabaa M.; Ahmed, Amr Y.; Radacki, Krzysztof; Ahmed, Salma K.; Tharwat, Engy K.; Magdy, Hana; Zeinhom, Alaa; Mansour, Ahmed M.","Cytotoxicity of fac-Mn(CO)3 complexes with a bidentate quinoline ligand towards triple negative breast cancer","Dalton Transactions","2022","","","","","10.1039/D2DT01938H","","","1.54184","CuKα","","0.0476","0.047","","","0.1275","0.1282","","","","","","1.061","","","","has coordinates","277900","2022-09-15","22:32:43",""
"7711247","12.898","0.004","15.057","0.005","18.199","0.006","90","","103.649","0.004","90","","3434.5","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Dy4 N6 O20 -","- C68 H70 Dy4 N6 O20 -","- C136 H140 Dy8 N12 O40 -","2","0.5","","Mandal, Shuvankar; Pramanik, Abhishek; Dey, Sourav; Carrella, Luca M.; Rajaraman, Gopalan; Rentschler, Eva; Mohanta, Sasankasekhar","Experimental and theoretical investigations on three DyIII4 single molecule magnets: structural and magneto-structural correlations","Dalton Transactions","2022","","","","","10.1039/D2DT02348B","","","0.71073","MoKα","","0.0754","0.0432","","","0.1084","0.1298","","","","","","1.002","","","","has coordinates","277901","2022-09-15","22:33:30",""
"7711248","11.8872","0.0015","18.419","0.002","16.98","0.002","90","","104.493","0.002","90","","3599.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H78 Dy4 N6 O20 -","- C72 H78 Dy4 N6 O20 -","- C144 H156 Dy8 N12 O40 -","2","0.5","","Mandal, Shuvankar; Pramanik, Abhishek; Dey, Sourav; Carrella, Luca M.; Rajaraman, Gopalan; Rentschler, Eva; Mohanta, Sasankasekhar","Experimental and theoretical investigations on three DyIII4 single molecule magnets: structural and magneto-structural correlations","Dalton Transactions","2022","","","","","10.1039/D2DT02348B","","","0.71073","MoKα","","0.0439","0.0294","","","0.0764","0.0866","","","","","","0.999","","","","has coordinates","277901","2022-09-15","22:33:30",""
"7711249","12.0913","0.0006","17.7473","0.0009","17.5153","0.0009","90","","105.216","0.002","90","","3626.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H74 Dy4 N6 O20 -","- C70 H74 Dy4 N6 O20 -","- C140 H148 Dy8 N12 O40 -","2","0.5","","Mandal, Shuvankar; Pramanik, Abhishek; Dey, Sourav; Carrella, Luca M.; Rajaraman, Gopalan; Rentschler, Eva; Mohanta, Sasankasekhar","Experimental and theoretical investigations on three DyIII4 single molecule magnets: structural and magneto-structural correlations","Dalton Transactions","2022","","","","","10.1039/D2DT02348B","","","0.71073","MoKα","","0.0577","0.0398","","","0.1006","0.1121","","","","","","1.038","","","","has coordinates,has disorder","277901","2022-09-15","22:33:30",""
"7711250","11.2941","0.0002","11.5981","0.0002","12.9541","0.0003","108.813","0.002","114.558","0.002","98.648","0.002","1378.91","0.07","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","Eu-DBTA","","- C21 H24 Br3 Eu N3 O9 -","- C21 H24 Br3 Eu N3 O9 -","- C42 H48 Br6 Eu2 N6 O18 -","2","1","","Liu, Weisai; Wang, Fei; Chen, Xiaoyi; Zhi, Wenke; Wang, Xuquan; Xu, Baoqiang; Yang, Bin","Design of “turn-off” luminescent Ln-MOFs for sensitive detection of cyanide anion","Dalton Transactions","2022","","","","","10.1039/D2DT01844F","","x-ray","0.71073","MoKα","","0.0303","0.0233","","","0.0464","0.0481","","","","","","1.051","","","","has coordinates,has disorder","277902","2022-09-15","22:34:13",""
"7711251","11.2415","0.0003","11.552","0.0003","12.9279","0.0004","109.079","0.003","114.551","0.003","97.782","0.002","1369.46","0.09","150.04","0.1","150.04","0.1","","","","","","","","6","P -1","-P 1","2","","Tb-DBTA","","- C21 H24 Br3 N3 O9 Tb -","- C21 H24 Br3 N3 O9 Tb -","- C42 H48 Br6 N6 O18 Tb2 -","2","1","","Liu, Weisai; Wang, Fei; Chen, Xiaoyi; Zhi, Wenke; Wang, Xuquan; Xu, Baoqiang; Yang, Bin","Design of “turn-off” luminescent Ln-MOFs for sensitive detection of cyanide anion","Dalton Transactions","2022","","","","","10.1039/D2DT01844F","","x-ray","0.71073","MoKα","","0.053","0.0414","","","0.1041","0.1094","","","","","","1.065","","","","has coordinates,has disorder","277902","2022-09-15","22:34:13",""
"7711252","14.952","0.005","24.363","0.005","14.825","0.005","90","0.005","90","0.005","90","0.005","5400","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 Dy2 N6 Ni2 O18 -","- C54 H56 Dy2 N6 Ni2 O18 -","- C216 H224 Dy8 N24 Ni8 O72 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71069","MoKα","","0.1543","0.0476","","","0.0595","0.0789","","","","","","0.986","","","","has coordinates","277903","2022-09-15","22:35:20",""
"7711253","14.939","0.005","24.343","0.005","14.845","0.005","90","0.005","90","0.005","90","0.005","5399","3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 Gd2 N6 Ni2 O18 -","- C54 H56 Gd2 N6 Ni2 O18 -","- C216 H224 Gd8 N24 Ni8 O72 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71069","MoKα","","0.0932","0.038","","","0.0745","0.0893","","","","","","1.023","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711254","14.824","0.003","24.353","0.005","14.61","0.003","90","","90","","90","","5274.3","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 N6 Ni2 O18 Tb2 -","- C54 H56 N6 Ni2 O18 Tb2 -","- C216 H224 N24 Ni8 O72 Tb8 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","","0.71073","MoKα","","0.0683","0.0457","","","0.1042","0.1168","","","","","","1.075","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711255","15.0051","0.0007","24.3858","0.001","14.8468","0.0008","90","","90","","90","","5432.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H56 N6 Ni2 O18 Y2 -","- C54 H56 N6 Ni2 O18 Y2 -","- C216 H224 N24 Ni8 O72 Y8 -","4","0.5","","Chakraborty, Amit; Ahmed, Naushad; Ali, Junaid; Moorthy, Shruti; Goura, Joydeb; Singh, Saurabh Kumar; Rogez, Guillaume; Chandrasekhar, Vadapalli","Exchange-driven slow relaxation of magnetization in NiII2LnIII2 (LnIII = Y, Gd, Tb and Dy) butterfly complexes: experimental and theoretical studies","Dalton Transactions","2022","","","","","10.1039/D2DT00237J","","x-ray","0.71073","MoKα","","0.082","0.0464","","","0.0995","0.1108","","","","","","1.023","","","","has coordinates","277903","2022-09-15","22:35:23",""
"7711256","8.3103","0.0004","15.9036","0.0009","18.3037","0.0011","90","","90","","90","","2419.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","0.5","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.074","0.0444","","","0.1086","0.1215","","","","","","1.063","","","","has coordinates,has disorder","277904","2022-09-15","22:36:17",""
"7711257","15.9408","0.0009","8.4144","0.0004","17.7939","0.001","90","","93.858","0.002","90","","2381.3","0.2","363","2","363","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.07","0.0422","","","0.088","0.0986","","","","","","1.026","","","","has coordinates,has disorder","277904","2022-09-15","22:36:18",""
"7711258","15.9339","0.0007","8.5831","0.0003","17.2046","0.0008","90","","96.483","0.002","90","","2337.89","0.17","323","2","323","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.0565","0.0404","","","0.1039","0.1115","","","","","","1.043","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711259","15.9371","0.0006","8.619","0.0003","17.0413","0.0007","90","","97.02","0.001","90","","2323.28","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.0468","0.0354","","","0.076","0.08","","","","","","1.059","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711260","15.9434","0.0006","8.6315","0.0003","16.9273","0.0007","90","","97.42","0.001","90","","2309.95","0.15","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.0408","0.0322","","","0.0707","0.0739","","","","","","1.099","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711261","15.9465","0.0006","8.6266","0.0003","16.7569","0.0007","90","","97.919","0.001","90","","2283.17","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.0367","0.0316","","","0.074","0.076","","","","","","1.125","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711262","15.9485","0.0006","8.6219","0.0003","16.6746","0.0007","90","","98.181","0.001","90","","2269.53","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.032","0.028","","","0.0686","0.0707","","","","","","1.108","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711263","15.9602","0.0007","8.6135","0.0003","16.5827","0.0007","90","","98.361","0.001","90","","2255.45","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 I3 N O6 Pb -","- C12 H28 I3 N O6 Pb -","- C48 H112 I12 N4 O24 Pb4 -","4","1","","Xie, Yu-Xin; Yuan, Guo-Jun; Miao, Ji-Bin; Luan, Ye-Ting; Li, Li; Chen, Hong; Ren, Xiaoming","Two-step thermotropic phase transition and dielectric relaxation in 1D supramolecular lead iodide perovskite [NH4@18-crown ether]PbI3","Dalton Transactions","2022","","","","","10.1039/D2DT02621J","","","0.71073","MoKα","","0.0335","0.0305","","","0.0749","0.0765","","","","","","1.123","","","","has coordinates","277904","2022-09-15","22:36:18",""
"7711264","35.8643","0.0009","22.9736","0.0011","17.0163","0.0006","90","","92.965","0.003","90","","14001.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H71.5 La N9.5 O23.5 -","- C36 H27 La N4 O15 -","- C288 H216 La8 N32 O120 -","8","1","","Zhong, Xiao-Feng; Luo, Guo-Jun; Li, Wen-Bin; Chen, Xiong-Hai; Wu, Ying; Chen, Yi-Hui; Ye, Jia-Wen; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","A series of naphthalenediimide-based metal−organic frameworks: synthesis, photochromism and inkless and erasable printing","Dalton Transactions","2022","","","","","10.1039/D2DT02290G","","","1.54184","CuKα","","0.0952","0.0771","","","0.2119","0.2292","","","","","","0.957","","","","has coordinates","277966","2022-09-18","22:57:29",""
"7711265","14.8023","0.0004","15.7594","0.0004","18.6831","0.0004","104.48","0.002","97.442","0.002","95.258","0.002","4149.26","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H66 La2 N10 O31 -","- C78 H66 La2 N10 O31 -","- C156 H132 La4 N20 O62 -","2","1","","Zhong, Xiao-Feng; Luo, Guo-Jun; Li, Wen-Bin; Chen, Xiong-Hai; Wu, Ying; Chen, Yi-Hui; Ye, Jia-Wen; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","A series of naphthalenediimide-based metal−organic frameworks: synthesis, photochromism and inkless and erasable printing","Dalton Transactions","2022","","","","","10.1039/D2DT02290G","","","1.54184","CuKα","","0.061","0.0523","","","0.1406","0.148","","","","","","1.072","","","","has coordinates,has disorder","277966","2022-09-18","22:57:29",""
"7711266","10.3137","0.0001","13.1982","0.0002","19.8651","0.0002","89.548","0.001","83.43","0.001","74.613","0.001","2589.32","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.75 H43.25 La2 N4.25 O29 -","- C47.25 H34.75 La2 N3.75 O26 -","- C94.5 H69.5 La4 N7.5 O52 -","2","1","","Zhong, Xiao-Feng; Luo, Guo-Jun; Li, Wen-Bin; Chen, Xiong-Hai; Wu, Ying; Chen, Yi-Hui; Ye, Jia-Wen; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","A series of naphthalenediimide-based metal−organic frameworks: synthesis, photochromism and inkless and erasable printing","Dalton Transactions","2022","","","","","10.1039/D2DT02290G","","","1.54184","CuKα","","0.0431","0.0385","","","0.1064","0.1098","","","","","","1.082","","","","has coordinates,has disorder","277966","2022-09-18","22:57:30",""
"7711267","6.8825","0.0003","12.758","0.0007","14.6681","0.0006","88.831","0.002","83.151","0.002","82.229","0.002","1267.01","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cu N5 O4 -","- C12 H9 Cu N5 O4 -","- C48 H36 Cu4 N20 O16 -","4","2","","Zhou, Feiya; Gao, Fangxin; Chang, Qinghua; Yang, Xianfeng; Liang, Lili","Three metal complexes with a pyridyl Schiff base: cytotoxicity, migration and mechanism of apoptosis","Dalton Transactions","2022","","","","","10.1039/D2DT02413F","","","0.71073","MoKα","","0.0689","0.0393","","","0.0828","0.099","","","","","","1.049","","","","has coordinates","277967","2022-09-18","22:58:41",""
"7711268","8.9489","0.0003","11.388","0.0004","15.6833","0.0006","90","","105.686","0.001","90","","1538.76","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cd N6 O7 -","- C12 H10 Cd N6 O7 -","- C48 H40 Cd4 N24 O28 -","4","1","","Zhou, Feiya; Gao, Fangxin; Chang, Qinghua; Yang, Xianfeng; Liang, Lili","Three metal complexes with a pyridyl Schiff base: cytotoxicity, migration and mechanism of apoptosis","Dalton Transactions","2022","","","","","10.1039/D2DT02413F","","","0.71073","MoKα","","0.0312","0.0237","","","0.0578","0.0646","","","","","","1.048","","","","has coordinates","277967","2022-09-18","22:58:42",""
"7711269","19.7262","0.0006","14.0229","0.0004","15.5506","0.0004","90","","116.113","0.001","90","","3862.51","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12.89 H15 Eu N6 O9.11 -","- C12.893 H15 Eu N6 O9.107 -","- C103.144 H120 Eu8 N48 O72.856 -","8","1","","Zhou, Feiya; Gao, Fangxin; Chang, Qinghua; Yang, Xianfeng; Liang, Lili","Three metal complexes with a pyridyl Schiff base: cytotoxicity, migration and mechanism of apoptosis","Dalton Transactions","2022","","","","","10.1039/D2DT02413F","","","0.71073","MoKα","","0.0365","0.0269","","","0.0654","0.0753","","","","","","1.035","","","","has coordinates,has disorder","277967","2022-09-18","22:58:42",""
"7711270","15.475","0.002","9.1044","0.0012","15.932","0.002","90","","101.773","0.002","90","","2197.4","0.5","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H28 Cl F2 N O9 -","- C17 H28 Cl F2 N O9 -","- C68 H112 Cl4 F8 N4 O36 -","4","1","","Ye, Xing; He, Wenhui; Wei, Jing; Wei, Zhenhong; You, Xiuli; Cai, Hu","Two host–guest grown ether supramolecules show switchable phase transition, dielectric and second-harmonic generation effect","Dalton Transactions","2022","","","","","10.1039/D2DT01826H","","","0.71073","MoKα","","0.1142","0.0732","","","0.2488","0.3006","","","","","","1.068","","","","has coordinates","277968","2022-09-18","22:59:30",""
"7711271","16.175","0.0012","9.2848","0.0007","15.012","0.0011","90","","90","","90","","2254.5","0.3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H28 F2 N O9 Re -","- C17 H28 F2 N O9 Re -","- C68 H112 F8 N4 O36 Re4 -","4","1","","Ye, Xing; He, Wenhui; Wei, Jing; Wei, Zhenhong; You, Xiuli; Cai, Hu","Two host–guest grown ether supramolecules show switchable phase transition, dielectric and second-harmonic generation effect","Dalton Transactions","2022","","","","","10.1039/D2DT01826H","","","0.71073","MoKα","","0.0463","0.0277","","","0.0575","0.0642","","","","","","0.905","","","","has coordinates","277968","2022-09-18","22:59:30",""
"7711272","18.626","0.002","23.462","0.003","22.637","0.003","90","","90.394","0.003","90","","9892","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H104 Cl Cu12 F6 O12 P7 S12 -","- C68 H104 Cl Cu12 F6 O12 P7 S12 -","- C272 H416 Cl4 Cu48 F24 O48 P28 S48 -","4","1","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.0366","0.0302","","","0.0704","0.074","","","","","","1.038","","","","has coordinates,has disorder","277969","2022-09-18","23:01:51",""
"7711273","21.3242","0.0006","22.8389","0.0006","23.6053","0.0006","79.83","0.0006","89.9697","0.0006","63.8667","0.0006","10120","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Ag12 Cl F6 O12 P7 S12 -","- C68 H104 Ag12 Cl F6 O12 P7 S12 -","- C272 H416 Ag48 Cl4 F24 O48 P28 S48 -","4","2","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.0404","0.0325","","","0.0762","0.0816","","","","","","1.022","","","","has coordinates,has disorder","277969","2022-09-18","23:01:54",""
"7711274","18.6194","0.0015","23.4762","0.0018","22.7144","0.0018","90","","90.28","0.002","90","","9928.6","1.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H104 Br Cu12 F6 O12 P7 S12 -","- C68 H104 Br Cu12 F6 O12 P7 S12 -","- C272 H416 Br4 Cu48 F24 O48 P28 S48 -","4","1","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.046","0.031","","","0.068","0.075","","","","","","1.015","","","","has coordinates,has disorder","277969","2022-09-18","23:02:11",""
"7711275","21.4823","0.0008","22.6593","0.0009","23.805","0.0009","99.8379","0.0008","90.4695","0.0009","116.36","0.0008","10183.7","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Ag12 F6 I O12 P7 S12 -","- C68 H104 Ag12 F6 I O12 P7 S12 -","- C272 H416 Ag48 F24 I4 O48 P28 S48 -","4","2","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.0496","0.0415","","","0.1023","0.1103","","","","","","1.047","","","","has coordinates,has disorder","277969","2022-09-18","23:02:13",""
"7711276","16.707","0.0019","17.367","0.002","19.993","0.002","66.877","0.002","83.253","0.002","71.002","0.002","5044","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H110 Cu12 F6 I O13 P7 S12 -","- C71 H110 Cu12 F6 I O13 P7 S12 -","- C142 H220 Cu24 F12 I2 O26 P14 S24 -","2","1","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.0784","0.0612","","","0.1743","0.1933","","","","","","1.026","","","","has coordinates,has disorder","277969","2022-09-18","23:02:29",""
"7711277","21.4279","0.0007","22.7192","0.0008","23.7146","0.0007","99.8543","0.0007","90.3872","0.0007","116.284","0.0007","10153.9","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H104 Ag12 Br F6 O12 P7 S12 -","- C68 H104 Ag12 Br F6 O12 P7 S12 -","- C272 H416 Ag48 Br4 F24 O48 P28 S48 -","4","2","","Huang, Guan-Rong; Brocha Silalahi, Rhone P.; Liao, Jian-Hong; Chiu, Tzu-Hao; Liu, Chen-Wei","Synthesis, Structural Studies, and Photophysical Properties of Heteroleptic Inverse-Coordination Clusters","Dalton Transactions","2022","","","","","10.1039/D2DT02100E","","","0.71073","MoKα","","0.0438","0.035","","","0.0931","0.1002","","","","","","1.017","","","","has coordinates,has disorder","277969","2022-09-18","23:02:29",""
"7711278","32.92731","0.00007","30.26746","0.00006","39.97143","0.00008","90","","96.2059","0.00017","90","","39603.1","0.14","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","DMWMS_2v2_340_B20","","- C385 H404 B15.5 Cl0.5 Co8 F62 N76 O33 -","- C352 H272 B12.5 Cl0.5 Co8 F50 N76 -","- C1408 H1088 B50 Cl2 Co32 F200 N304 -","4","0.5","","Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D.","Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities","Dalton Transactions","2022","","","","","10.1039/D2DT02623F","","","0.6889","Synchrotron","","0.0677","0.0534","","","0.178","0.1855","","","","","","1.095","","","","has coordinates,has disorder","277970","2022-09-18","23:05:21",""
"7711279","32.978","0.0003","29.72814","0.00019","39.5702","0.0003","90","","96.1393","0.0007","90","","38571.1","0.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C371 H390 B16 Co8 F64 N73 O31 -","- C343 H278 B15.7 Co8 F62.8 N73 O3 -","- C1372 H1112 B62.8 Co32 F251.2 N292 O12 -","4","0.5","","Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D.","Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities","Dalton Transactions","2022","","","","","10.1039/D2DT02623F","","","0.6889","Synchrotron","","0.0979","0.068","","","0.2126","0.233","","","","","","1.04","","","","has coordinates,has disorder","277970","2022-09-18","23:05:22",""
"7711280","32.85293","0.00012","30.18243","0.0001","40.21139","0.00014","90","","95.6471","0.0003","90","","39679.4","0.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C380 H414 B15 Cl Co8 F60 N76 O43 -","- C356 H288 B11 Cl Co8 F44 N76 O4 -","- C1424 H1152 B44 Cl4 Co32 F176 N304 O16 -","4","0.5","","Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D.","Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities","Dalton Transactions","2022","","","","","10.1039/D2DT02623F","","","0.6889","Synchrotron","","0.0771","0.0593","","","0.2003","0.2103","","","","","","1.103","","","","has coordinates,has disorder","277970","2022-09-18","23:05:22",""
"7711281","29.422","0.002","10.6642","0.0009","29.458","0.002","90","","111.437","0.008","90","","8603.4","1.2","203","2","203","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H56 Na2 O2 Pb Si2 -","- C36 H56 Na2 O2 Pb Si2 -","- C288 H448 Na16 O16 Pb8 Si16 -","8","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","","0.71073","MoKα","","0.1218","0.0579","","","0.1112","0.1246","","","","","","0.995","","","","has coordinates","277971","2022-09-18","23:07:01",""
"7711282","13.9365","0.0003","19.0723","0.0003","15.354","0.0003","90","","90","","90","","4081.11","0.13","213","2","213","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C36 H56 K2 O2 Pb Si2 -","- C36 H56 K2 O2 Pb Si2 -","- C144 H224 K8 O8 Pb4 Si8 -","4","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","","0.71073","MoKα","","0.0378","0.0207","","","0.0387","0.0434","","","","","","1.015","","","","has coordinates","277971","2022-09-18","23:07:01",""
"7711283","13.9985","0.0005","14.6914","0.0005","20.5549","0.0007","90","","91.382","0.002","90","","4226","0.3","150","","150","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C72 H120 K4 O8 Pb2 Si4 -","- C72 H120 K4 O8 Pb2 Si4 -","- C144 H240 K8 O16 Pb4 Si8 -","2","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","x-ray","1.34139","GaKα","","0.0377","0.0295","","","0.0651","0.067","","","","","","1.03","","","","has coordinates,has disorder","277971","2022-09-18","23:07:02",""
"7711284","23.3878","0.0017","10.5283","0.0008","20.5795","0.0016","90","","107.77","0.002","90","","4825.6","0.6","203.15","","203.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Na2 O4 Pb Si2 -","- C44 H72 Na2 O4 Pb Si2 -","- C176 H288 Na8 O16 Pb4 Si8 -","4","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","","0.71073","MoKα","","0.0328","0.022","","","0.0465","0.0496","","","","","","1.023","","","","has coordinates","277971","2022-09-18","23:07:02",""
"7711285","14.1403","0.0016","9.6155","0.0011","18.417","0.002","90","","92.833","0.002","90","","2501","0.5","100","0.1","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Al2 Cl P2 Rh -","- C18 H40 Al2 Cl P2 Rh -","- C72 H160 Al8 Cl4 P8 Rh4 -","4","1","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.048","0.0303","","","0.0648","0.0697","","","","","","1.027","","","","has coordinates","277972","2022-09-18","23:09:02",""
"7711286","23.375","0.003","13.7736","0.0018","11.9571","0.0016","90","","92.852","0.002","90","","3844.9","0.9","100","0.1","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H31 Al Cl P2 Rh -","- C15 H31 Al Cl P2 Rh -","- C120 H248 Al8 Cl8 P16 Rh8 -","8","1","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0417","0.0292","","","0.0649","0.0685","","","","","","1.082","","","","has coordinates,has disorder","277972","2022-09-18","23:09:02",""
"7711287","18.1428","0.0007","6.3491","0.0003","19.3303","0.0012","90","","93.242","0.001","90","","2223.1","0.19","100","0.1","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H40 P2 Rh2 -","- C22 H40 P2 Rh2 -","- C88 H160 P8 Rh8 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0256","0.019","","","0.0452","0.0461","","","","","","0.996","","","","has coordinates","277972","2022-09-18","23:09:02",""
"7711288","6.5589","0.0002","7.5892","0.0002","9.2977","0.0002","76.999","0.001","70.543","0.001","66.641","0.001","398.3","0.019","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 Al2 Cl2 P2 -","- C8 H22 Al2 Cl2 P2 -","- C8 H22 Al2 Cl2 P2 -","1","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0407","0.0318","","","0.0783","0.0822","","","","","","1.061","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711289","13.6821","0.0003","11.8577","0.0003","11.8639","0.0003","90","","90","","90","","1924.78","0.08","100","0.1","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H28 Al Cl2 P2 Rh -","- C14 H28 Al Cl2 P2 Rh -","- C56 H112 Al4 Cl8 P8 Rh4 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.021","0.0179","","","0.0479","0.0495","","","","","","1.104","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711290","9.4084","0.0003","9.6824","0.0003","11.1418","0.0004","103.209","0.002","107.622","0.002","105.478","0.002","877.82","0.06","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H60 Al2 P6 Pt2 -","- C22 H60 Al2 P6 Pt2 -","- C22 H60 Al2 P6 Pt2 -","1","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0204","0.0173","","","0.0367","0.0375","","","","","","1.066","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711291","11.2567","0.0004","12.8343","0.0005","13.1652","0.0005","71.297","0.002","66.453","0.002","75.357","0.002","1634.43","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25.28 H49.84 Al2 Cl2.72 P2 Rh2 -","- C25.281 H49.843 Al2 Cl2.719 P2 Rh2 -","- C50.562 H99.686 Al4 Cl5.438 P4 Rh4 -","2","1","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0189","0.0168","","","0.0444","0.0451","","","","","","1.059","","","","has coordinates,has disorder","277972","2022-09-18","23:09:03",""
"7711292","13.6878","0.0003","11.8285","0.0002","11.8398","0.0002","90","","90","","90","","1916.94","0.06","100","0.1","100","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H28 Al Cl2 Ir P2 -","- C14 H28 Al Cl2 Ir P2 -","- C56 H112 Al4 Cl8 Ir4 P8 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0277","0.0199","","","0.0445","0.0483","","","","","","1.147","","","","has coordinates","277972","2022-09-18","23:09:03",""
"7711293","7.53","","7.699","","20.946","","93.96","","94.56","","109.76","","1133.22","","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl6 Mn N2 -","- C16 H22 Cl6 Mn N2 -","- C32 H44 Cl12 Mn2 N4 -","2","1","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0444","0.0311","","","0.0717","0.0799","","","","","","1.038","","","","has coordinates","277973","2022-09-18","23:10:55",""
"7711294","7.568","0.004","8.088","0.005","20.838","0.013","91.818","0.01","95.451","0.009","114.951","0.007","1147.6","1.2","358","2","358","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl6 Mn N2 -","- C16 H22 Cl6 Mn N2 -","- C32 H44 Cl12 Mn2 N4 -","2","1","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.1974","0.0889","","","0.2007","0.2471","","","","","","0.973","","","","has coordinates,has disorder","277973","2022-09-18","23:10:55",""
"7711295","7.5849","0.0013","7.7567","0.0016","21.082","0.004","94.064","0.005","94.901","0.004","110.014","0.004","1154.5","0.4","365","2","365","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl6 Mn N2 -","- C16 H22 Cl6 Mn N2 -","- C32 H44 Cl12 Mn2 N4 -","2","1","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0885","0.0462","","","0.109","0.1331","","","","","","1.052","","","","has coordinates,has disorder","277973","2022-09-18","23:10:55",""
"7711296","14.446","0.002","6.8496","0.001","12.429","0.002","90","","90","","90","","1229.8","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H11 Cd Cl4 N -","- C8 H11 Cd Cl4 N -","- C32 H44 Cd4 Cl16 N4 -","4","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0574","0.0367","","","0.0784","0.0894","","","","","","1.048","","","","has coordinates","277973","2022-09-18","23:10:55",""
"7711297","9.5873","0.0011","22.042","0.003","9.7222","0.0012","90","","97.63","0.003","90","","2036.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H34 Bi2 Cl12 N3 -","- C24 H33 Bi2 Cl12 N3 -","- C48 H66 Bi4 Cl24 N6 -","2","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.1205","0.0652","","","0.1319","0.1524","","","","","","1.075","","","","has coordinates","277973","2022-09-18","23:10:55",""
"7711298","7.4644","0.0003","7.7388","0.0003","20.7344","0.0009","93.993","0.002","95.268","0.002","111.277","0.002","1104.52","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl6 N2 Zn -","- C16 H22 Cl6 N2 Zn -","- C32 H44 Cl12 N4 Zn2 -","2","1","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0743","0.0406","","","0.0805","0.0988","","","","","","1.057","","","","has coordinates","277973","2022-09-18","23:10:56",""
"7711299","9.6132","0.001","22.15","0.003","9.7574","0.0012","90","","97.628","0.003","90","","2059.3","0.4","320","2","320","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H0 Bi2 Cl12 N3 -","- C24 H33 Bi2 Cl12 N3 -","- C48 H66 Bi4 Cl24 N6 -","2","0.5","","Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng","Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides","Dalton Transactions","2022","","","","","10.1039/D2DT02148J","","","0.71073","MoKα","","0.0952","0.0377","","","0.0729","0.1","","","","","","0.973","","","","has coordinates,has disorder","277973","2022-09-18","23:10:56",""
"7711300","8.9621","0.0004","10.8991","0.0003","23.4881","0.0007","83.058","0.003","86.516","0.003","79.937","0.003","2240.59","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H80 N8 O20 Re4 -","- C93 H80 N8 O20 Re4 -","- C93 H80 N8 O20 Re4 -","1","0.5","","Malaichamy, Sathiyendiran; Phukon, Upasana; Shankar, Bhaskaran","Self-assembly of new class of rhenium(I)-based double stranded dinuclear monohelicates with their photophysical and electrochemical studies","Dalton Transactions","2022","","","","","10.1039/D2DT02657K","","","0.71073","MoKα","","0.067","0.0459","","","0.1137","0.1289","","","","","","1.007","","","","has coordinates,has disorder","277986","2022-09-19","22:43:52",""
"7711301","13.7512","0.0003","13.7512","0.0003","22.9369","0.001","90","","90","","120","","3756.2","0.2","180","2","180.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H14 Gd N O8 -","- C18 H14 Gd N O8 -","- C108 H84 Gd6 N6 O48 -","6","1","","Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui","Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye","Dalton Transactions","2022","","","","","10.1039/D2DT02347D","","","0.71073","MoKα","","0.0308","0.0245","","","0.0568","0.0587","","","","","","1.06","","","","has coordinates","277987","2022-09-19","22:44:25",""
"7711302","13.7063","0.0004","13.7063","0.0004","22.8201","0.0017","90","","90","","120","","3712.7","0.3","180","2","180.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C18 H14 Dy N O8 -","- C18 H14 Dy N O8 -","- C108 H84 Dy6 N6 O48 -","6","1","","Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui","Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye","Dalton Transactions","2022","","","","","10.1039/D2DT02347D","","","0.71073","MoKα","","0.0346","0.0294","","","0.0683","0.0702","","","","","","1.141","","","","has coordinates","277987","2022-09-19","22:44:25",""
"7711303","17.8911","0.0004","14.9531","0.0004","28.9581","0.0006","90","","98.617","0.002","90","","7659.6","0.3","172.99","","172.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C130 H151 N25 O52 Ti12 -","- C130 H151 N25 O52 Ti12 -","- C260 H302 N50 O104 Ti24 -","2","0.5","","Gao, Chang; Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Liu, Caiyun; Said, Amir; Niu, Huihui; Tung, Chen-Ho; Wang, Yifeng","New Picolinate-Functionalized Titanium-Oxide Clusters: Syntheses, Structure and Photocatalytic H2 Evolution","Dalton Transactions","2022","","","","","10.1039/D2DT01882A","","x-ray","1.54184","CuKα","","0.1122","0.0782","","","0.2039","0.223","","","","","","1.055","","","","has coordinates","277988","2022-09-19","22:45:11",""
"7711304","32.8178","0.0007","15.2483","0.0003","32.1138","0.0008","90","","114.021","0.003","90","","14678.5","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H100 N20 O57 Ti12 -","- C116 H100 N20 O57 Ti12 -","- C464 H400 N80 O228 Ti48 -","4","0.5","","Gao, Chang; Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Liu, Caiyun; Said, Amir; Niu, Huihui; Tung, Chen-Ho; Wang, Yifeng","New Picolinate-Functionalized Titanium-Oxide Clusters: Syntheses, Structure and Photocatalytic H2 Evolution","Dalton Transactions","2022","","","","","10.1039/D2DT01882A","","x-ray","1.54184","CuKα","","0.1449","0.1097","","","0.2974","0.3261","","","","","","0.908","","","","has coordinates","277988","2022-09-19","22:45:12",""
"7711305","21.0513","0.0007","11.8757","0.0003","23.2991","0.0007","90","","108.431","0.003","90","","5526","0.3","173.15","","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B Cl8 F10 N3 O Sb -","- C42 H40 B Cl8 F10 N3 O Sb -","- C168 H160 B4 Cl32 F40 N12 O4 Sb4 -","4","1","","Nakamura, Marika; Hyakutake, Risa; Morisako, Shogo; Sasamori, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Nakashima, Kouichi; Fukumoto, Hiroki; Agou, Tomohiro","Boron complexes of π-extended nitroxide ligands exhibiting three-state redox processes and near-infrared-II (NIR-II) absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","36","13675","13680","10.1039/d2dt02545k","","x-ray","0.71073","MoKα","","0.0594","0.0423","","","0.0894","0.0956","","","","","","1.011","","","","has coordinates","278014","2022-09-20","22:51:32",""
"7711306","9.8688","0.0005","10.8972","0.0006","18.0044","0.0009","95.144","0.002","100.083","0.002","96.151","0.002","1883.69","0.17","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 B F10 N3 O -","- C41 H38 B F10 N3 O -","- C82 H76 B2 F20 N6 O2 -","2","1","","Nakamura, Marika; Hyakutake, Risa; Morisako, Shogo; Sasamori, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Nakashima, Kouichi; Fukumoto, Hiroki; Agou, Tomohiro","Boron complexes of π-extended nitroxide ligands exhibiting three-state redox processes and near-infrared-II (NIR-II) absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","36","13675","13680","10.1039/d2dt02545k","","","0.71073","MoKα","","0.0689","0.0538","","","0.1436","0.1594","","","","","","1.025","","","","has coordinates","278014","2022-09-20","22:51:33",""
"7711307","18.048","0.0011","10.6917","0.0007","21.8391","0.0012","90","","102.647","0.006","90","","4111.9","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 B Cl6 F10 N3 O3 Sb -","- C35 H26 B Cl6 F10 N3 O3 Sb -","- C140 H104 B4 Cl24 F40 N12 O12 Sb4 -","4","1","","Nakamura, Marika; Hyakutake, Risa; Morisako, Shogo; Sasamori, Takahiro; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Nakashima, Kouichi; Fukumoto, Hiroki; Agou, Tomohiro","Boron complexes of π-extended nitroxide ligands exhibiting three-state redox processes and near-infrared-II (NIR-II) absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","51","36","13675","13680","10.1039/d2dt02545k","","","0.71073","MoKα","","0.0967","0.0513","","","0.0841","0.0949","","","","","","1.013","","","","has coordinates","278014","2022-09-20","22:51:33",""
"7711308","13.7207","0.0016","6.8784","0.0006","28.022","0.002","90","","102.154","0.009","90","","2585.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H15 Cl6.12 F2 N3 Pt -","- C21 H15 Cl6.13 F2 N3 Pt -","- C84 H60 Cl24.52 F8 N12 Pt4 -","4","1","","Hattori, Shingo; Nakano, Takumi; Kobayashi, Nanako; Konno, Yuri; Nishibori, Eiji; Galica, Tomasz; Shinozaki, Kazuteru","Luminescence color change of [3,4-difluoro-2,6-bis(5-methyl-2-pyridyl)phenyl-κ3N,C1,μ']cyanidoplatinum(II) by aggregation","Dalton Transactions","2022","","","","","10.1039/D2DT02360A","","","0.24782","synchrotron","","0.1237","0.0797","","","0.1864","0.2085","","","","","","1.134","","","","has coordinates,has disorder","278015","2022-09-20","22:52:10",""
"7711309","12.6664","0.0006","13.0845","0.0006","13.0859","0.0006","108.787","0.002","97.776","0.002","92.434","0.002","2025.77","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis(2,2?-bipyridine)[5-(diethoxyphosphoryl)-1,10-phenanthroline]ruthenium(II) hexafluorophosphate","","- C36 H33 F12 N6 O3 P3 Ru -","- C36 H33 F12 N6 O3 P3 Ru -","- C72 H66 F24 N12 O6 P6 Ru2 -","2","1","","Morozkov, Gleb V.; Abel, Anton S.; Filatov, Mikhail A.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Mitrofanov, Alexander Yu; Ziankou, Ilia S.; Averin, Alexei D.; Beletskaya, Irina P.; Michalak, Julien; Bucher, Christophe; Bonneviot, Laurent; Bessmertnykh-Lemeune, Alla","Ruthenium(II) complexes with phosphonate-substituted phenanthroline ligands: synthesis, characterization and use in organic photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2022","51","36","13612","13630","10.1039/d2dt01364a","","","0.71073","MoKα","","0.125","0.0817","","","0.1757","0.1944","","","","","","1.062","","","","has coordinates,has disorder","278016","2022-09-20","22:52:45",""
"7711310","11.7648","0.0004","12.1887","0.0004","17.1364","0.0006","84.758","0.001","74.787","0.001","84.262","0.001","2353.89","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H43 F12 N6 O6.5 P4 Ru -","- C40 H43 F12 N6 O6.5 P4 Ru -","- C80 H86 F24 N12 O13 P8 Ru2 -","2","1","","Morozkov, Gleb V.; Abel, Anton S.; Filatov, Mikhail A.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Mitrofanov, Alexander Yu; Ziankou, Ilia S.; Averin, Alexei D.; Beletskaya, Irina P.; Michalak, Julien; Bucher, Christophe; Bonneviot, Laurent; Bessmertnykh-Lemeune, Alla","Ruthenium(II) complexes with phosphonate-substituted phenanthroline ligands: synthesis, characterization and use in organic photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2022","51","36","13612","13630","10.1039/d2dt01364a","","","0.71073","MoKα","","0.0877","0.0795","","","0.193","0.1975","","","","","","1.023","","","","has coordinates,has disorder","278016","2022-09-20","22:52:46",""
"7711311","16.9786","0.0014","11.1129","0.0009","11.8836","0.0008","90","","121.353","0.004","90","","1914.8","0.3","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Lämmle, Martin; Pilz, T. David; Kutta, Roger Jan; Müßler, Marius; Mengele, Alexander K.; Görls, Helmar; Heinemann, Frank W.; Rau, Sven","Insights into the different mechanistic stages of light-induced hydrogen evolution of a 5,5′-bisphenanthroline linked RuPt complex","Dalton Transactions","2022","","","","","10.1039/D2DT01727J","","","0.71073","MoKα","","0.0887","0.0698","","","0.2275","0.2441","","","","","","1.045","","","","has coordinates","278052","2022-09-21","22:45:04",""
"7711312","28.7888","0.0014","12.5327","0.0009","18.875","0.0018","90","","114.089","0.005","90","","6217","0.8","150","2","150.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H70 F12 N8 O2 P2 Ru -","- C62 H70 F12 N8 O2 P2 Ru -","- C248 H280 F48 N32 O8 P8 Ru4 -","4","1","","Lämmle, Martin; Pilz, T. David; Kutta, Roger Jan; Müßler, Marius; Mengele, Alexander K.; Görls, Helmar; Heinemann, Frank W.; Rau, Sven","Insights into the different mechanistic stages of light-induced hydrogen evolution of a 5,5′-bisphenanthroline linked RuPt complex","Dalton Transactions","2022","","","","","10.1039/D2DT01727J","","","0.71073","MoKα","","0.0473","0.0346","","","0.0732","0.0781","","","","","","1.017","","","","has coordinates,has disorder","278052","2022-09-21","22:45:06",""
"7711313","19.183","0.002","19.183","0.002","19.669","0.003","90","","90","","90","","7237.9","1.5","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H104 B32 Cu6 N24 O104 V12 -","- C24 H104 B32 Cu6 N24 O104 V12 -","- C48 H208 B64 Cu12 N48 O208 V24 -","2","0.125","","Feng, Yuquan; Zhong, Zhiguo; Meng, Zhaohui; Ma, Keshuan; Wang, Hongwei; Feng, Xun; Wang, Suhong; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan","A highly efficient heterogeneous catalyst for selective oxidation of sulfides derived from an open-framework copper borovanadate containing a unique crown-shaped anion","Dalton Transactions","2022","","","","","10.1039/D2DT02575B","","","0.71073","MoKα","","0.1364","0.1098","","","0.2372","0.2467","","","","","","1.082","","","","has coordinates","278053","2022-09-21","22:45:34",""
"7711314","19.682","0.005","14.346","0.003","12.215","0.003","90","","104.682","0.006","90","","3336.4","1.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 B0.5 Br N0.5 -","- C18 H17 B0.5 Br N0.5 -","- C144 H136 B4 Br8 N4 -","8","1","","P, Chinna Ayya Swamy; Raveendran, Archana V.; Sivakrishna, Narra; Nandi, Rajendra Prasad","Triarylborane-triphenylamine based luminophore for the mitochondria targeted live cell imaging and colorimetric detection of aqueous fluoride","Dalton Transactions","2022","","","","","10.1039/D2DT01887J","","","0.71073","MoKα","","0.1952","0.0546","","","0.0977","0.1323","","","","","","0.994","","","","has coordinates","278092","2022-09-22","22:56:13",""
"7711315","13.122","0.002","19.08","0.004","19.964","0.004","76.429","0.004","77.166","0.004","76.851","0.004","4655.6","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H108 B2 N6 -","- C112 H108 B2 N6 -","- C224 H216 B4 N12 -","2","1","","P, Chinna Ayya Swamy; Raveendran, Archana V.; Sivakrishna, Narra; Nandi, Rajendra Prasad","Triarylborane-triphenylamine based luminophore for the mitochondria targeted live cell imaging and colorimetric detection of aqueous fluoride","Dalton Transactions","2022","","","","","10.1039/D2DT01887J","","","0.71073","MoKα","","0.247","0.1235","","","0.3115","0.3456","","","","","","1.044","","","","has coordinates","278092","2022-09-22","22:56:13",""
"7711316","13.9683","0.0009","31.1073","0.0017","22.8137","0.0013","90","","99.024","0.002","90","","9790.2","1","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C86 H89 B2 Cl2 Co2 Fe2 N27 O13 -","- C86 H89 B2 Cl2 Co2 Fe2 N27 O13 -","- C344 H356 B8 Cl8 Co8 Fe8 N108 O52 -","4","1","","Meng, Lingyi; Deng, Yi-Fei; Liu, Jianxun; Liu, Yan Jun; Zhang, Yuan-Zhu","Tuning the electron transfer events in a series of cyanide-bridged [Fe2Co2] squares according to different electron donors","Dalton Transactions","2022","","","","","10.1039/D2DT02416K","","","0.71073","MoKα","","0.1382","0.0909","","","0.2463","0.2789","","","","","","1.033","","","","has coordinates,has disorder","278093","2022-09-22","22:57:03",""
"7711317","12.017","0.002","14.179","0.002","15.527","0.003","81.971","0.005","73.964","0.005","79.688","0.006","2490.2","0.7","103.68","","103.68","","","","","","","","","8","P -1","-P 1","2","","","","- C90 H99 B2 Cl2 Co2 Fe2 N29 O12 -","- C90 H99 B2 Cl2 Co2 Fe2 N29 O12 -","- C90 H99 B2 Cl2 Co2 Fe2 N29 O12 -","1","0.5","","Meng, Lingyi; Deng, Yi-Fei; Liu, Jianxun; Liu, Yan Jun; Zhang, Yuan-Zhu","Tuning the electron transfer events in a series of cyanide-bridged [Fe2Co2] squares according to different electron donors","Dalton Transactions","2022","","","","","10.1039/D2DT02416K","","","0.71073","MoKα","","0.1472","0.1053","","","0.2474","0.2951","","","","","","1.038","","","","has coordinates","278093","2022-09-22","22:57:04",""
"7711318","11.8997","0.0008","14.1917","0.0011","15.8456","0.0012","85.221","0.003","74.071","0.003","79.083","0.002","2525.2","0.3","109.99","","109.99","","","","","","","","","8","P -1","-P 1","2","","","","- C88 H92 B2 Cl2 Co2 Fe2 N26 O20 -","- C88 H92 B2 Cl2 Co2 Fe2 N26 O20 -","- C88 H92 B2 Cl2 Co2 Fe2 N26 O20 -","1","0.5","","Meng, Lingyi; Deng, Yi-Fei; Liu, Jianxun; Liu, Yan Jun; Zhang, Yuan-Zhu","Tuning the electron transfer events in a series of cyanide-bridged [Fe2Co2] squares according to different electron donors","Dalton Transactions","2022","","","","","10.1039/D2DT02416K","","","0.71073","MoKα","","0.1316","0.0911","","","0.2523","0.287","","","","","","1.019","","","","has coordinates,has disorder","278093","2022-09-22","22:57:04",""
"7711319","12.331","0.006","14.352","0.006","15.96","0.006","82.594","0.013","74.147","0.014","80.292","0.014","2668","2","280.11","","280.11","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H92 B2 Cl2 Co2 Fe2 N26 O12 -","- C84 H92 B2 Cl2 Co2 Fe2 N26 O12 -","- C84 H92 B2 Cl2 Co2 Fe2 N26 O12 -","1","0.5","","Meng, Lingyi; Deng, Yi-Fei; Liu, Jianxun; Liu, Yan Jun; Zhang, Yuan-Zhu","Tuning the electron transfer events in a series of cyanide-bridged [Fe2Co2] squares according to different electron donors","Dalton Transactions","2022","","","","","10.1039/D2DT02416K","","","0.71073","MoKα","","0.1367","0.0942","","","0.2445","0.2984","","","","","","1.077","","","","has coordinates","278093","2022-09-22","22:57:04",""
"7711320","9.1502","0.0003","11.215","0.0004","18.227","0.0006","90","","100.36","0.003","90","","1839.95","0.11","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N -","- C20 H31 N -","- C80 H124 N4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0593","0.0443","","","0.1318","0.1408","","","","","","1.051","","","","has coordinates","278138","2022-09-26","15:25:02",""
"7711321","6.9854","0.0004","11.7951","0.0006","12.0875","0.0006","89.751","0.004","88.772","0.004","85.99","0.004","993.26","0.09","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H35 N -","- C22 H35 N -","- C44 H70 N2 -","2","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.064","0.0472","","","0.1236","0.1326","","","","","","1.035","","","","has coordinates","278138","2022-09-26","15:25:04",""
"7711322","10.0739","0.0003","19.8627","0.0009","19.5832","0.0007","90","","94.936","0.003","90","","3904","0.3","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 N Si3 Y -","- C32 H64 N Si3 Y -","- C128 H256 N4 Si12 Y4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.1427","0.068","","","0.1253","0.1453","","","","","","1.035","","","","has coordinates,has disorder","278138","2022-09-26","15:25:15",""
"7711323","21.1966","0.0012","16.7104","0.001","23.044","0.0014","90","","90","","90","","8162.3","0.8","180","0.1","180","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","EtCAACScSi3","","- C34 H68 N Sc Si3 -","- C34 H68 N Sc Si3 -","- C272 H544 N8 Sc8 Si24 -","8","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.1018","0.0681","","","0.1662","0.185","","","","","","1.034","","","","has coordinates,has disorder","278138","2022-09-26","15:25:21",""
"7711324","21.2782","0.0004","17.1989","0.0003","41.7376","0.001","90","","90","","90","","15274.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H64 N Sc Si3 -","- C32 H64 N Sc Si3 -","- C512 H1024 N16 Sc16 Si48 -","16","2","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0563","0.04","","","0.0966","0.1031","","","","","","1.046","","","","has coordinates","278138","2022-09-26","15:25:25",""
"7711325","18.3616","0.0004","13.3428","0.0003","19.9386","0.0005","90","","90","","90","","4884.9","0.2","179.99","0.1","179.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H70 I3 N2 Y -","- C47 H70 I3 N2 Y -","- C188 H280 I12 N8 Y4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0417","0.0305","","","0.0578","0.0602","","","","","","1.044","","","","has coordinates","278138","2022-09-26","15:25:30",""
"7711326","10.4317","0.0003","19.7613","0.0007","21.4276","0.0008","90","","97.418","0.003","90","","4380.2","0.3","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 N Si3 Y -","- C34 H68 N Si3 Y -","- C136 H272 N4 Si12 Y4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0647","0.0433","","","0.1147","0.1229","","","","","","1.071","","","","has coordinates,has disorder","278138","2022-09-26","15:25:44",""
"7711327","18.3367","0.0005","13.331","0.0006","19.8826","0.0008","90","","90","","90","","4860.2","0.3","180","0.1","180","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","MeCAACYbI3","","- C47 H70 I3 N2 Yb -","- C47 H70 I3 N2 Yb -","- C188 H280 I12 N8 Yb4 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0771","0.0546","","","0.1275","0.1366","","","","","","1.052","","","","has coordinates","278138","2022-09-26","15:25:48",""
"7711328","21.5528","0.0004","17.1763","0.0003","42.258","0.0006","90","","90","","90","","15643.8","0.5","179.99","0.1","179.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H64 Lu N Si3 -","- C32 H64 Lu N Si3 -","- C512 H1024 Lu16 N16 Si48 -","16","2","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0558","0.0324","","","0.0654","0.0734","","","","","","1.012","","","","has coordinates","278138","2022-09-26","15:25:48",""
"7711329","10.411","0.0002","19.6904","0.0004","21.3623","0.0005","90","","97.549","0.002","90","","4341.25","0.16","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 Lu N Si3 -","- C34 H68 Lu N Si3 -","- C136 H272 Lu4 N4 Si12 -","4","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0348","0.0265","","","0.0695","0.072","","","","","","1.063","","","","has coordinates,has disorder","278138","2022-09-26","15:25:48",""
"7711330","13.8912","0.0004","26.8301","0.0007","22.9414","0.0006","90","","107.383","0.003","90","","8159.8","0.4","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H102 B2 K N4 O7 -","- C80 H102 B2 K N4 O7 -","- C320 H408 B8 K4 N16 O28 -","4","1","","Li, Hai-Jun; Feng, Rui; Shi, Xianghui; Wei, Junnian; Xi, Zhenfeng","Synthesis and Isolation of Dinuclear N,C-Chelate Organoboron Compounds Bridged by Neutral, Anionic, and Dianionic 4,4’-Bipyridine via Reductive Coupling of Pyridines","Dalton Transactions","2022","","","","","10.1039/D2DT02650C","","x-ray","0.71073","MoKα","","0.0632","0.0514","","","0.1406","0.1483","","","","","","1.036","","","","has coordinates","278139","2022-09-26","15:25:55",""
"7711331","31.8072","0.0017","12.8637","0.0007","26.0895","0.0014","90","","99.889","0.006","90","","10516.1","1","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H154 B2 K2 N2 O18 -","- C106 H154 B2 K2 N2 O18 -","- C424 H616 B8 K8 N8 O72 -","4","0.5","","Li, Hai-Jun; Feng, Rui; Shi, Xianghui; Wei, Junnian; Xi, Zhenfeng","Synthesis and Isolation of Dinuclear N,C-Chelate Organoboron Compounds Bridged by Neutral, Anionic, and Dianionic 4,4’-Bipyridine via Reductive Coupling of Pyridines","Dalton Transactions","2022","","","","","10.1039/D2DT02650C","","x-ray","0.71073","MoKα","","0.1535","0.0999","","","0.2527","0.2909","","","","","","1.059","","","","has coordinates,has disorder","278139","2022-09-26","15:26:06",""
"7711332","10.9392","0.0003","8.0482","0.0003","37.8833","0.0012","90","","90","","90","","3335.28","0.19","150","0.1","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N2 O P Se -","- C17 H17 N2 O P Se -","- C136 H136 N16 O8 P8 Se8 -","8","1","","Sanjay Kumar, Siddharth; Rangarajan, Shalini; Kunchur, Harish S.; Balakrishna, Maravanji Shivaramaiah","A greener approach towards the synthesis of N-heterocyclic thiones and selones using mechanochemical technique","Dalton Transactions","2022","","","","","10.1039/D2DT02322A","","","0.71073","MoKα","","0.1185","0.0528","","","0.1165","0.1419","","","","","","1.025","","","","has coordinates","278140","2022-09-26","15:26:11",""
"7711333","10.6482","0.0015","21.1068","0.0017","9.3551","0.001","90","","112.86","0.014","90","","1937.4","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N2 O P S -","- C20 H23 N2 O P S -","- C80 H92 N8 O4 P4 S4 -","4","1","","Sanjay Kumar, Siddharth; Rangarajan, Shalini; Kunchur, Harish S.; Balakrishna, Maravanji Shivaramaiah","A greener approach towards the synthesis of N-heterocyclic thiones and selones using mechanochemical technique","Dalton Transactions","2022","","","","","10.1039/D2DT02322A","","x-ray","0.71073","MoKα","","0.1453","0.0752","","","0.1436","0.186","","","","","","1.059","","","","has coordinates,has disorder","278140","2022-09-26","15:26:24",""
"7711334","10.6448","0.0007","21.0365","0.0008","9.5229","0.0005","90","","113.495","0.007","90","","1955.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N2 O P Se -","- C20 H23 N2 O P Se -","- C80 H92 N8 O4 P4 Se4 -","4","1","","Sanjay Kumar, Siddharth; Rangarajan, Shalini; Kunchur, Harish S.; Balakrishna, Maravanji Shivaramaiah","A greener approach towards the synthesis of N-heterocyclic thiones and selones using mechanochemical technique","Dalton Transactions","2022","","","","","10.1039/D2DT02322A","","","0.71073","MoKα","","0.0724","0.0476","","","0.1182","0.1314","","","","","","1.046","","","","has coordinates,has disorder","278140","2022-09-26","15:26:25",""
"7711335","15.2686","0.0003","15.2686","0.0003","29.2342","0.0006","90","","90","","90","","6815.4","0.2","250","2","250","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C24 H34 Cu N5 O8 -","- C15 H10 Cu N2 O5 -","- C120 H80 Cu8 N16 O40 -","8","0.5","","Ghosh, Dipankar; Damodaran, Krishna K.","Analysing the Role of Anions in the Synthesis of Catalytic Active Urea-based MOF","Dalton Transactions","2022","","","","","10.1039/D2DT02421G","","","1.54178","CuKα","","0.1","0.0767","","","0.2625","0.2821","","","","","","1.099","","","","has coordinates","278198","2022-09-26","22:49:38",""
"7711336","18.2919","0.0005","9.442","0.0003","25.3572","0.0007","90","","90","","90","","4379.5","0.2","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Cu N4 O7 -","- C21 H24 Cu N4 O7 -","- C168 H192 Cu8 N32 O56 -","8","1","","Ghosh, Dipankar; Damodaran, Krishna K.","Analysing the Role of Anions in the Synthesis of Catalytic Active Urea-based MOF","Dalton Transactions","2022","","","","","10.1039/D2DT02421G","","","1.54178","CuKα","","0.0759","0.0632","","","0.1641","0.1713","","","","","","1.172","","","","has coordinates","278198","2022-09-26","22:49:38",""
"7711337","15.2644","0.0006","18.3812","0.0006","25.627","0.0009","90","","90","","90","","7190.4","0.4","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H46 Cl4 N P Pd -","- C38 H46 Cl4 N P Pd -","- C304 H368 Cl32 N8 P8 Pd8 -","8","1","","Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen","LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions","Dalton Transactions","2022","","","","","10.1039/D2DT01354A","","","0.56086","AgKα","","0.0536","0.036","","","0.0688","0.075","","","","","","1.05","","","","has coordinates,has disorder","278199","2022-09-26","22:50:53",""
"7711338","9.1723","0.0005","11.691","0.0008","18.9911","0.0013","97.274","0.002","97.47","0.002","102.579","0.002","1945.3","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H56 Cl2 N P Pd -","- C41 H56 Cl2 N P Pd -","- C82 H112 Cl4 N2 P2 Pd2 -","2","1","","Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen","LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions","Dalton Transactions","2022","","","","","10.1039/D2DT01354A","","","0.56086","AgKα","","0.0507","0.0358","","","0.0733","0.0808","","","","","","1.034","","","","has coordinates","278199","2022-09-26","22:50:53",""
"7711339","12.9169","0.0008","15.0027","0.0009","15.89","0.001","95.311","0.003","98.986","0.003","98.963","0.003","2982.7","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 Cl6 P2 Pd2 -","- C65 H80 Cl6 P2 Pd2 -","- C130 H160 Cl12 P4 Pd4 -","2","1","","Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen","LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions","Dalton Transactions","2022","","","","","10.1039/D2DT01354A","","","0.56086","AgKα","","0.1018","0.0534","","","0.1189","0.1438","","","","","","1.065","","","","has coordinates,has disorder","278199","2022-09-26","22:50:53",""
"7711340","23.6446","0.0016","22.859","0.0014","11.6653","0.0007","90","","103.717","0.003","90","","6125.2","0.7","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cl4 N O P Pd -","- C29 H38 Cl4 N O P Pd -","- C232 H304 Cl32 N8 O8 P8 Pd8 -","8","2","","Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen","LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions","Dalton Transactions","2022","","","","","10.1039/D2DT01354A","","","0.56086","AgKα","","0.0909","0.048","","","0.0917","0.1081","","","","","","1.028","","","","has coordinates,has disorder","278199","2022-09-26","22:50:53",""
"7711341","11.4635","0.0002","16.0928","0.0003","7.756","0.0002","90","","90","","90","","1430.83","0.05","100.01","0.14","100.01","0.14","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H14 B N O3 -","- C17 H14 B N O3 -","- C68 H56 B4 N4 O12 -","4","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0333","0.03","","","0.0709","0.0727","","","","","","1.055","","","","has coordinates","278200","2022-09-26","22:53:09",""
"7711342","13.6115","0.0001","14.9766","0.0002","17.445","0.0001","90","","98.519","0.001","90","","3517","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Fe N O3 P2 -","- C38 H55 Fe N O3 P2 -","- C152 H220 Fe4 N4 O12 P8 -","4","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0458","0.0429","","","0.1003","0.1018","","","","","","1.095","","","","has coordinates","278200","2022-09-26","22:53:09",""
"7711343","10.5389","0.0002","13.3995","0.0002","16.3112","0.0003","96.941","0.001","105.427","0.001","108.427","0.001","2053","0.07","99.97","0.18","99.97","0.18","","","","","","","","6","P -1","-P 1","2","","","","- C46 H63 Fe N3 O P2 -","- C46 H63 Fe N3 O P2 -","- C92 H126 Fe2 N6 O2 P4 -","2","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0467","0.0442","","","0.1225","0.124","","","","","","1.089","","","","has coordinates","278200","2022-09-26","22:53:09",""
"7711344","11.787","0.0003","23.7592","0.0007","17.1342","0.0004","90","","106.741","0.003","90","","4595.1","0.2","99.99","0.11","99.99","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H151 B2 Fe2 N2 O4 P4 -","- C95 H151 B2 Fe2 N2 O4 P4 -","- C190 H302 B4 Fe4 N4 O8 P8 -","2","0.5","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0787","0.0647","","","0.1363","0.1418","","","","","","1.099","","","","has coordinates","278200","2022-09-26","22:53:09",""
"7711345","10.5876","0.0001","10.6303","0.0001","10.8705","0.0001","106.54","0.001","91.651","0.001","95.626","0.001","1165.13","0.02","99.97","0.15","99.97","0.15","","","","","","","","7","P 1","P 1","1","","","","- C52 H72 B Fe N O2 P2 -","- C52 H72 B Fe N O2 P2 -","- C52 H72 B Fe N O2 P2 -","1","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0867","0.0873","","","","","","1.047","","","","has coordinates","278200","2022-09-26","22:53:10",""
"7711346","10.7793","0.0001","19.2148","0.0002","18.6847","0.0001","90","","102.833","0.001","90","","3773.35","0.06","100.02","0.18","100.02","0.18","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 B Fe N O2 P2 -","- C40 H60 B Fe N O2 P2 -","- C160 H240 B4 Fe4 N4 O8 P8 -","4","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0393","0.037","","","0.09","0.0914","","","","","","1.036","","","","has coordinates,has disorder","278200","2022-09-26","22:53:10",""
"7711347","9.7279","0.0001","10.3742","0.0001","20.474","0.0002","90","","102.589","0.001","90","","2016.54","0.04","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C44 H60 B Fe N O2 P2 -","- C44 H60 B Fe N O2 P2 -","- C88 H120 B2 Fe2 N2 O4 P4 -","2","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0666","0.0669","","","","","","1.033","","","","has coordinates","278200","2022-09-26","22:53:10",""
"7711348","36.5218","0.0011","10.8538","0.0005","23.1258","0.0008","90","","91.548","0.003","90","","9163.7","0.6","99.9","0.3","99.9","0.3","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H69 B Fe N O2 P2 -","- C45 H69 B Fe N O2 P2 -","- C360 H552 B8 Fe8 N8 O16 P16 -","8","1","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0917","0.0668","","","0.1433","0.1546","","","","","","1.099","","","","has coordinates,has disorder","278200","2022-09-26","22:53:10",""
"7711349","11.2413","0.0001","28.853","0.0002","34.7308","0.0003","90","","99.276","0.001","90","","11117.5","0.16","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C397 H658 B8 Fe8 N16 O16 P16 -","- C397 H658 B8 Fe8 N16 O16 P16 -","- C397 H658 B8 Fe8 N16 O16 P16 -","1","0.25","","Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.","Insertion chemistry of iron(ii) boryl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02879D","","x-ray","1.54184","CuKα","","0.0909","0.0826","","","0.173","0.1769","","","","","","1.103","","","","has coordinates,has disorder","278200","2022-09-26","22:53:10",""
"7711350","8.5211","0.0004","10.1127","0.0004","21.196","0.0007","91.301","0.003","95.754","0.003","93.117","0.004","1813.87","0.13","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 B F9 P2 Pd -","- C39 H30 B F9 P2 Pd -","- C78 H60 B2 F18 P4 Pd2 -","2","1","","Villalba, Francisco; Albeniz, Ana Carmen","Diazo Compounds and Palladium-Aryl Complexes: Trapping the Elusive Carbene Migratory Insertion Organometallic Products","Dalton Transactions","2022","","","","","10.1039/D2DT02775E","","x-ray","0.71073","MoKα","","0.0891","0.0552","","","0.0922","0.1114","","","","","","1.069","","","","has coordinates","278226","2022-09-27","22:48:24",""
"7711351","10.1431","0.0004","22.7544","0.0007","16.9793","0.0005","90","","104.335","0.004","90","","3796.8","0.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","FVP-455.4","","- C41 H32 B F9 P2 Pd -","- C41 H32 B F9 P2 Pd -","- C164 H128 B4 F36 P8 Pd4 -","4","1","","Villalba, Francisco; Albeniz, Ana Carmen","Diazo Compounds and Palladium-Aryl Complexes: Trapping the Elusive Carbene Migratory Insertion Organometallic Products","Dalton Transactions","2022","","","","","10.1039/D2DT02775E","","x-ray","0.71073","MoKα","","0.0961","0.0544","","","0.1122","0.132","","","","","","1.033","","","","has coordinates","278226","2022-09-27","22:48:25",""
"7711352","18.165","0.004","9.981","0.003","25.338","0.008","90","","90.27","0.02","90","","4594","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Br3 Mn3 N4 O16 -","- C36 H32 Br3.0005 Mn3 N4 O16 -","- C144 H128 Br12.002 Mn12 N16 O64 -","4","1","","Yadav, Anand; Kumari, Sarita; Yadav, Preety; Hazra, Arpan; Chakraborty, Anindita; Kanoo, Prakash","Open metal site (OMS)-inspired investigation of adsorption and catalytic functions in a porous metal–organic framework (MOF)","Dalton Transactions","2022","","","","","10.1039/D2DT02098J","","","0.71073","MoKα","","0.0607","0.0468","","","0.1137","0.1216","","","","","","1.029","","","","has coordinates,has disorder","278227","2022-09-27","22:49:08",""
"7711353","9.8775","0.0007","18.0953","0.0011","27.2297","0.0019","90","","90","","90","","4866.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H32 Mn3 N7 O22 -","- C36 H32 Mn3 N7 O22 -","- C144 H128 Mn12 N28 O88 -","4","0.5","","Yadav, Anand; Kumari, Sarita; Yadav, Preety; Hazra, Arpan; Chakraborty, Anindita; Kanoo, Prakash","Open metal site (OMS)-inspired investigation of adsorption and catalytic functions in a porous metal–organic framework (MOF)","Dalton Transactions","2022","","","","","10.1039/D2DT02098J","","","0.71073","MoKα","","0.0997","0.0914","","","0.1996","0.204","","","","","","1.162","","","","has coordinates","278227","2022-09-27","22:49:08",""
"7711354","8.9812","0.0009","21.205","0.003","13.4228","0.0015","90","","93.512","0.003","90","","2551.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 N4 Zn -","- C29 H26 Cl2 N4 Zn -","- C116 H104 Cl8 N16 Zn4 -","4","1","","Ghosh, Suchismita; Akhir, Abdul; Saxena, Deepanshi; Singh, Sneha; Sri, Sivakumar; Chopra, Sidharth; Angamuthu, Raja","Investigating the Photosensitivity of Koneramines for Cell Imaging and Therapeutic Applications","Dalton Transactions","2022","","","","","10.1039/D2DT02834D","","","0.71073","MoKα","","0.0546","0.0359","","","0.0829","0.0968","","","","","","1.045","","","","has coordinates","278228","2022-09-27","22:50:05",""
"7711355","11.1251","0.0008","11.3839","0.0009","13.392","0.001","113.459","0.002","94.795","0.002","93.261","0.002","1542.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cd Cl4 N4 -","- C30 H28 Cd Cl4 N4 -","- C60 H56 Cd2 Cl8 N8 -","2","1","","Ghosh, Suchismita; Akhir, Abdul; Saxena, Deepanshi; Singh, Sneha; Sri, Sivakumar; Chopra, Sidharth; Angamuthu, Raja","Investigating the Photosensitivity of Koneramines for Cell Imaging and Therapeutic Applications","Dalton Transactions","2022","","","","","10.1039/D2DT02834D","","","0.71073","MoKα","","0.0423","0.0335","","","0.0831","0.0895","","","","","","1.054","","","","has coordinates","278228","2022-09-27","22:50:05",""
"7711356","8.949","0.0009","21.114","0.002","13.2684","0.0013","90","","93.251","0.003","90","","2503","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cl2 Cu N4 -","- C29 H26 Cl2 Cu N4 -","- C116 H104 Cl8 Cu4 N16 -","4","1","","Ghosh, Suchismita; Akhir, Abdul; Saxena, Deepanshi; Singh, Sneha; Sri, Sivakumar; Chopra, Sidharth; Angamuthu, Raja","Investigating the Photosensitivity of Koneramines for Cell Imaging and Therapeutic Applications","Dalton Transactions","2022","","","","","10.1039/D2DT02834D","","","0.71073","MoKα","","0.0681","0.0628","","","0.1173","0.1194","","","","","","1.283","","","","has coordinates","278228","2022-09-27","22:50:05",""
"7711357","19.2116","0.0014","14.8074","0.0011","8.5126","0.0007","90","","99.908","0.006","90","","2385.5","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18.75 Cl La N2.75 O10.75 -","- C14 H12 La N2 O10 -","- C56 H48 La4 N8 O40 -","4","0.5","","Yan, Yong; Zhang, Ningning; Fuhrmann, Daniel; Merker, Stefan Jens; Krautscheid, Harald","A stable lanthanum hydroxamate metal-organic framework with radical character and electrical conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02340G","","","1.54186","CuKα","","0.0356","0.0335","","","0.0916","0.0927","","","","","","1.078","","","","has coordinates","278229","2022-09-27","22:50:56",""
"7711358","20.5997","0.0012","12.3311","0.0009","8.2059","0.0005","90","","95.074","0.005","90","","2076.3","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 Cl N3 O8 Sm -","- C14 H6 N2 O7 Sm -","- C56 H24 N8 O28 Sm4 -","4","0.5","","Yan, Yong; Zhang, Ningning; Fuhrmann, Daniel; Merker, Stefan Jens; Krautscheid, Harald","A stable lanthanum hydroxamate metal-organic framework with radical character and electrical conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02340G","","","1.54186","CuKα","","0.0486","0.0464","","","0.1237","0.1256","","","","","","1.06","","","","has coordinates","278229","2022-09-27","22:50:56",""
"7711359","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Gajda, Roman; Piekara, Anna; Tchoń, Daniel; Woźniak, Krzysztof; Sławiński, Wojciech A.","Charge density studies of single and transient (single to double) boron–oxygen bonds in (NH4)2B4O5(OH)4·2H2O","Dalton Transactions","2022","","","","","10.1039/D2DT02442J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278230","2022-09-27","22:51:28",""
"7711360","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Gajda, Roman; Piekara, Anna; Tchoń, Daniel; Woźniak, Krzysztof; Sławiński, Wojciech A.","Charge density studies of single and transient (single to double) boron–oxygen bonds in (NH4)2B4O5(OH)4·2H2O","Dalton Transactions","2022","","","","","10.1039/D2DT02442J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278230","2022-09-27","22:51:29",""
"7711361","16.2186","0.0015","13.5792","0.001","17.0915","0.0015","90","","105.691","0.003","90","","3623.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H88 Dy4 N8 O19 -","- C67 H88 Dy4 N8 O19 -","- C134 H176 Dy8 N16 O38 -","2","0.5","","Corredoira-Vázquez, Julio; González-Barreira, Cristina; Fondo, Matilde; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Hernández-Rodríguez, Miguel A; Carlos, Luís D","Luminescence thermometry in a Dy<sub>4</sub> single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02250h","","","0.71073","MoKα","","0.0646","0.041","","","0.0729","0.0823","","","","","","1.077","","","","has coordinates","278254","2022-09-28","22:59:04",""
"7711362","13.6503","0.0013","11.5914","0.0017","6.6234","0.0007","90","","99.337","0.004","90","","1034.1","0.2","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N14 O8 -","- C12 H20 N14 O8 -","- C24 H40 N28 O16 -","2","0.5","","Li, Chengchuang; Lei, Caijin; Tang, Jie; Zhu, Teng; Cheng, Guangbin; Yang, Hongwei","C-C bonded bis-5,6 fused triazole-triazine compound: an advanced heat-resistant explosive with high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02885a","","","0.71073","MoKα","","0.0823","0.0512","","","0.117","0.1382","","","","","","1.047","","","","has coordinates,has disorder","278255","2022-09-28","22:59:42",""
"7711363","5.021","0.0003","26.654","0.002","10.306","0.0007","90","","98.41","0.005","90","","1364.42","0.16","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N16 Na O12 -","- C14 H28 N16 Na O12 -","- C28 H56 N32 Na2 O24 -","2","0.5","","Li, Chengchuang; Lei, Caijin; Tang, Jie; Zhu, Teng; Cheng, Guangbin; Yang, Hongwei","C-C bonded bis-5,6 fused triazole-triazine compound: an advanced heat-resistant explosive with high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02885a","","","1.54178","CuKα","","0.0846","0.0646","","","0.1713","0.1925","","","","","","1.019","","","","has coordinates","278255","2022-09-28","22:59:42",""
"7711364","5.9008","0.0006","11.3741","0.0009","11.9467","0.0011","68.425","0.003","88.011","0.004","76.253","0.003","723.05","0.12","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N14 O4 S4 -","- C18 H28 N14 O4 S4 -","- C18 H28 N14 O4 S4 -","1","0.5","","Li, Chengchuang; Lei, Caijin; Tang, Jie; Zhu, Teng; Cheng, Guangbin; Yang, Hongwei","C-C bonded bis-5,6 fused triazole-triazine compound: an advanced heat-resistant explosive with high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02885a","","","0.71073","MoKα","","0.0995","0.0554","","","0.1186","0.1436","","","","","","1.037","","","","has coordinates,has disorder","278255","2022-09-28","22:59:43",""
"7711365","12.8155","0.0005","14.8725","0.0007","20.4489","0.0009","90","","90","","90","","3897.5","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cl4 Cu N2 -","- C46 H37 Cl4 Cu N2 -","- C184 H148 Cl16 Cu4 N8 -","4","1","","Gauthier, Etienne S.; Kaczmarczyk, Dominika; Del Fré, Samuel; Favereau, Ludovic; Caytan, Elsa; Cordier, Marie; Vanthuyne, Nicolas; Williams, J. A. Gareth; Srebro-Hooper, Monika; Crassous, Jeanne","Helicenic N-heterocyclic carbene copper(I) complex displaying circularly polarized blue fluorescence.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01925f","","x-ray","0.71073","MoKα","","0.0725","0.0581","","","0.1529","0.1638","","","","","","1.031","","","","has coordinates","278256","2022-09-28","23:00:12",""
"7711366","9.2224","0.0009","14.7467","0.0013","14.9291","0.0016","116.395","0.003","98.038","0.004","104.109","0.003","1690.3","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","Th-BPYDC-I","","","- C26.5 H29.5 N4.5 O14.5 Th -","- C24 H12 N4 O8 Th -","- C48 H24 N8 O16 Th2 -","2","1","","Mi, Pinhong; Chen, Lixi; Li, Xiaoqi; Wang, Xia; Li, Guodong; Cheng, Liwei; Lu, Junhao; Zhang, Hailong; Wang, Yanlong; Wang, Shuao","Enhanced Xe/Kr separation via the pore size confinement effect of a microporous thorium-based metal-organic framework","Dalton Transactions","2022","","","","","10.1039/D2DT01903E","","","0.71073","MoKα","","0.0652","0.0593","","","0.1497","0.155","","","","","","1.084","","","","has coordinates","278257","2022-09-28","23:00:37",""
"7711367","32.52","0.005","32.52","0.005","32.52","0.005","90","","90","","90","","34392","9","119.97","","119.97","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C517 H416 Cl3 N46 O192 Zn24 -","- C487 H322 Cl3 N40 O172 Zn24 -","- C974 H644 Cl6 N80 O344 Zn48 -","2","0.166667","","Shi, Rong; Xu, Ze-Ming; Chen, Cao; Niu, Zheng; Lang, Jian-Ping","A 3D/3D hetero-interpenetrated MOF with a novel (3,9)-c net and 6-c lcy net for the fluorescence detection of carbaryl","Dalton Transactions","2022","","","","","10.1039/D2DT01893D","","","0.71073","MoKα","","0.0625","0.0555","","","0.1464","0.1514","","","","","","0.9892","","","","has coordinates,has disorder","278268","2022-09-29","22:50:40",""
"7711368","6.4122","0.0002","7.3634","0.0003","13.1781","0.0005","89.126","0.002","78.657","0.002","66.817","0.001","559.46","0.04","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- B8 Na3 O15 Y -","- B8 Na3 O15 Y -","- B16 Na6 O30 Y2 -","2","1","","Huang, Jianlong; Wu, Chengfa; Chen, Jianbang; Guo, Zhiyong; Ma, Wenjuan; Yu, Feng; Dai, Bin","Na3YB8O15: a new rare-earth borate with an infinite one-dimensional [B8O15]∞ chain and short ultraviolet cutoff edge","Dalton Transactions","2022","","","","","10.1039/D2DT03019E","","","0.71073","MoKα","","0.0216","0.0202","","","0.0607","0.0612","","","","","","1.147","","","","has coordinates","278269","2022-09-29","22:51:06",""
"7711369","34.562","0.004","7.6912","0.001","19.859","0.003","90","","108.002","0.014","90","","5020.6","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Br4 In N2 O2 -","- C24 H17 Br4 In N2 O2 -","- C192 H136 Br32 In8 N16 O16 -","8","1","","Stamou, Christina; Lada, Zoi G.; Chasapis, Christos T.; Papaioannou, Dionissios; Dechambenoit, Pierre; Perlepes, Spyros P.","Indium(iii)/2-benzoylpyridine chemistry: interesting indium(iii) bromide-assisted transformations of the ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02851D","","","0.71073","MoKα","","0.0921","0.0602","","","0.1057","0.1175","","","","","","1.129","","","","has coordinates","278287","2022-09-30","22:50:50",""
"7711370","17.518","0.0009","7.774","0.0004","19.4933","0.0009","90","","100.39","0.002","90","","2611.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl3 In N2 O3 -","- C26 H24 Cl3 In N2 O3 -","- C104 H96 Cl12 In4 N8 O12 -","4","1","","Stamou, Christina; Lada, Zoi G.; Chasapis, Christos T.; Papaioannou, Dionissios; Dechambenoit, Pierre; Perlepes, Spyros P.","Indium(iii)/2-benzoylpyridine chemistry: interesting indium(iii) bromide-assisted transformations of the ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02851D","","","0.71073","MoKα","","0.0372","0.025","","","0.0516","0.0554","","","","","","1.028","","","","has coordinates","278287","2022-09-30","22:50:51",""
"7711371","12.4217","0.0009","10.4041","0.0007","25.5262","0.0019","90","","90.439","0.004","90","","3298.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br4 In2 N2 O4 -","- C28 H32 Br4 In2 N2 O4 -","- C112 H128 Br16 In8 N8 O16 -","4","1","","Stamou, Christina; Lada, Zoi G.; Chasapis, Christos T.; Papaioannou, Dionissios; Dechambenoit, Pierre; Perlepes, Spyros P.","Indium(iii)/2-benzoylpyridine chemistry: interesting indium(iii) bromide-assisted transformations of the ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02851D","","","0.71073","MoKα","","0.0533","0.0393","","","0.0841","0.0916","","","","","","1.127","","","","has coordinates","278287","2022-09-30","22:50:51",""
"7711372","35.456","0.002","19.824","0.0009","30.734","0.0015","90","","120.221","0.002","90","","18666.3","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C134 H148 N12 O46 S12 U4 -","- C102 H48 O32 S12 U4 -","- C408 H192 O128 S48 U16 -","4","0.5","","Zhai, Fuwan; Li, Hui; Gui, Daxiang; Chuanqin, Xia; Chai, Zhifang; Wang, Shuao","A Semiconducting Uranium Organic Framework based on Tetrathiafulvalene Derivative","Dalton Transactions","2022","","","","","10.1039/D1DT04099E","","","0.71073","MoKα","","0.0451","0.0301","","","0.0799","0.0862","","","","","","1.017","","","","has coordinates","278288","2022-09-30","22:51:40",""
"7711373","13.1805","0.0004","37.3146","0.0019","6.7184","0.0002","90","","100.192","0.003","90","","3252.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 Pt S -","- C40 H36 N2 Pt S -","- C160 H144 N8 Pt4 S4 -","4","1","","Krause, Maren; Friedel, Joshua; Buss, Stefan; Bruenkink, Dana; Berger, Annemarie; Strassert, Cristian Alejandro; Doltsinis, Nikos; Klein, Axel","Isoelectronic Pt(II) Complexes of Cyclometalating C^N^N Ligands with Phenyl/(Benzo)thiophenyl and Pyridyl/(Benzo)thiazolyl Moieties","Dalton Transactions","2022","","","","","10.1039/D2DT02688K","","x-ray","0.56076","AgKα","","0.1542","0.1016","","","0.2208","0.2434","","","","","","1.124","","","","has coordinates","278289","2022-09-30","22:52:32",""
"7711374","7.9533","0.0007","9.8707","0.0008","14.3097","0.0011","102.887","0.006","103.515","0.006","102.96","0.006","1018.48","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl3 N2 Pt S -","- C21 H15 Cl3 N2 Pt S -","- C42 H30 Cl6 N4 Pt2 S2 -","2","1","","Krause, Maren; Friedel, Joshua; Buss, Stefan; Bruenkink, Dana; Berger, Annemarie; Strassert, Cristian Alejandro; Doltsinis, Nikos; Klein, Axel","Isoelectronic Pt(II) Complexes of Cyclometalating C^N^N Ligands with Phenyl/(Benzo)thiophenyl and Pyridyl/(Benzo)thiazolyl Moieties","Dalton Transactions","2022","","","","","10.1039/D2DT02688K","","","0.71073","MoKα","","0.0709","0.0493","","","0.1175","0.13","","","","","","0.982","","","","has coordinates","278289","2022-09-30","22:52:32",""
"7711375","9.4345","0.0004","14.0906","0.0005","16.9952","0.0006","90","","104.735","0.001","90","","2185","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl O2 Ru2 -","- C26 H21 Cl O2 Ru2 -","- C104 H84 Cl4 O8 Ru8 -","4","1","","Bresciani, Giulio; Boni, Serena; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Alkyne–alkenyl coupling at a diruthenium complex","Dalton Transactions","2022","","","","","10.1039/D2DT02866B","","","0.71073","MoKα","","0.0203","0.0201","","","0.0455","0.0456","","","","","","1.173","","","","has coordinates","278290","2022-09-30","22:53:28",""
"7711376","27.3698","0.0008","18.0419","0.0005","16.5162","0.0005","90","","124.791","0.001","90","","6697.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 B F4 O2 Ru2 -","- C40 H31 B F4 O2 Ru2 -","- C320 H248 B8 F32 O16 Ru16 -","8","1","","Bresciani, Giulio; Boni, Serena; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Alkyne–alkenyl coupling at a diruthenium complex","Dalton Transactions","2022","","","","","10.1039/D2DT02866B","","","0.71073","MoKα","","0.0422","0.0345","","","0.0854","0.0901","","","","","","1.061","","","","has coordinates","278290","2022-09-30","22:53:28",""
"7711377","8.319","0.0007","13.7514","0.0012","15.7743","0.0013","86.749","0.003","77.108","0.003","81.442","0.003","1739","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H29 Cl2 F3 O9 Ru2 S -","- C34 H29 Cl2 F3 O9 Ru2 S -","- C68 H58 Cl4 F6 O18 Ru4 S2 -","2","1","","Bresciani, Giulio; Boni, Serena; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","Alkyne–alkenyl coupling at a diruthenium complex","Dalton Transactions","2022","","","","","10.1039/D2DT02866B","","","0.71073","MoKα","","0.0553","0.0459","","","0.1015","0.1049","","","","","","1.137","","","","has coordinates,has disorder","278290","2022-09-30","22:53:28",""
"7711378","17.5033","0.0013","17.7141","0.0013","29.548","0.002","87.526","0.004","84.116","0.004","82.468","0.004","9030.5","1.1","120","2","120","2","","","","","","","no","5","P -1","-P 1","2","","","","- C144 H198 As N29 O28 -","- C144 H198 As N29 O28 -","- C288 H396 As2 N58 O56 -","2","1","","Dey, Dr. Sandeep Kumar Kumar; Gil-Hernández, Beatriz; Gobre, Vivekanand V.; Woschko, Dennis; Harmalkar, Sarvesh S.; Gayen, Firdaus Rahaman; Saha, Biswajit; Goswamee, Rajib Lochan; Janiak, Christoph","Selective recognition and extraction of arsenate by a urea-functionalized tripodal receptor from competitive aqueous media","Dalton Transactions","2022","","","","","10.1039/D2DT02281H","","","0.71073","MoKα","","0.1154","0.0964","","","0.2598","0.2752","","","","","","1.068","","","","has coordinates,has disorder","278291","2022-09-30","22:54:04",""
"7711379","10.0172","0.0002","12.1842","0.0002","16.9434","0.0003","65.716","0.001","81.031","0.001","64.759","0.001","1704.54","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H62 B P Ru -","- C37 H62 B P Ru -","- C74 H124 B2 P2 Ru2 -","2","1","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","x-ray","0.71073","MoKα","","0.027","0.0243","","","0.0594","0.061","","","","","","1.039","","","","has coordinates","278292","2022-09-30","22:55:26",""
"7711380","17.5721","0.0003","7.859","0.0001","27.1629","0.0004","90","","97.287","0.001","90","","3720.88","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B Ru -","- C19 H29 B Ru -","- C152 H232 B8 Ru8 -","8","2","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","x-ray","0.71073","MoKα","","0.0363","0.026","","","0.0578","0.0637","","","","","","1.029","","","","has coordinates,has disorder","278292","2022-09-30","22:55:26",""
"7711381","9.2828","0.0004","14.0011","0.0006","9.3396","0.0004","90","","97.935","0.001","90","","1202.24","0.09","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H41 B Ru -","- C25 H41 B Ru -","- C50 H82 B2 Ru2 -","2","1","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0841","0.0867","","","","","","1.031","","","","has coordinates,has disorder","278292","2022-09-30","22:55:26",""
"7711382","10.782","0.004","12.152","0.004","12.316","0.004","112.688","0.008","97.811","0.008","90.37","0.009","1471.9","0.9","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H49 B N2 Ru -","- C30 H49 B N2 Ru -","- C60 H98 B2 N4 Ru2 -","2","1","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","x-ray","0.71073","MoKα","","0.0316","0.0249","","","0.0566","0.0606","","","","","","1.057","","","","has coordinates","278292","2022-09-30","22:55:26",""
"7711383","11.932","0.003","13.828","0.004","14.862","0.004","114.054","0.007","99.367","0.007","104.778","0.008","2064","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 B Ru -","- C24 H27 B Ru -","- C96 H108 B4 Ru4 -","4","2","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","x-ray","0.71073","MoKα","","0.0609","0.0363","","","0.0817","0.0897","","","","","","1.04","","","","has coordinates,has disorder","278292","2022-09-30","22:55:26",""
"7711384","9.6176","0.0001","10.0667","0.0001","17.7082","0.0002","85.5","","88.45","","69.31","","1598.95","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 B P Ru -","- C37 H44 B P Ru -","- C74 H88 B2 P2 Ru2 -","2","1","","Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao","Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity","Dalton Transactions","2022","","","","","10.1039/D2DT03092F","","x-ray","0.71073","MoKα","","0.0264","0.0238","","","0.059","0.0609","","","","","","1.04","","","","has coordinates","278292","2022-09-30","22:55:26",""
"7711385","8.9141","0.0014","9.2988","0.0015","15.741","0.003","85.531","0.006","82.58","0.006","83.711","0.006","1283.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H34 Eu N5 O16 Sr -","- C16 H34 Eu N5 O16 Sr -","- C32 H68 Eu2 N10 O32 Sr2 -","2","1","","Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just","Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms","Dalton Transactions","2022","","","","","10.1039/D2DT02633C","","","0.71073","MoKα","","0.0422","0.0364","","","0.0763","0.0783","","","","","","1.067","","","","has coordinates","278293","2022-09-30","22:56:55",""
"7711386","8.8814","0.0007","8.8814","0.0007","41.505","0.005","90","","90","","90","","3273.9","0.5","100","","100","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C16 H45 Cl2.44 Eu Gd N4 O19 -","- C16 H45 Cl2.438 Eu Gd N4 O19 -","- C64 H180 Cl9.752 Eu4 Gd4 N16 O76 -","4","0.25","","Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just","Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms","Dalton Transactions","2022","","","","","10.1039/D2DT02633C","","","0.71073","MoKα","","0.034","0.0289","","","0.0738","0.0765","","","","","","1.067","","","","has coordinates,has disorder","278293","2022-09-30","22:56:55",""
"7711387","8.8351","0.0006","8.8351","0.0006","41.578","0.004","90","","90","","90","","3245.5","0.4","100","","100","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C16 H44.8 Cl2.52 Eu0.96 N4 O19 Y -","- C16 H44.8 Cl2.52 Eu0.963 N4 O19 Y -","- C64 H179.2 Cl10.08 Eu3.852 N16 O76 Y4 -","4","0.25","","Storm Thomsen, Maria; Parsons, Simon; Sørensen, Thomas Just","Invisible strings. The first single crystal of the cTSAP form of [Eu(DOTA)(H2O)]− has an electronic structure similar to one of the reported cSAP forms","Dalton Transactions","2022","","","","","10.1039/D2DT02633C","","","0.71073","MoKα","","0.0269","0.0237","","","0.0542","0.0554","","","","","","1.088","","","","has coordinates,has disorder","278293","2022-09-30","22:56:55",""
"7711388","23.5523","0.0002","11.12589","0.00012","23.3538","0.0002","90","","99.5672","0.001","90","","6034.52","0.1","120","0.11","120","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 Cl3 La N6 O22 -","- C56 H58 Cl3 La N6 O22 -","- C224 H232 Cl12 La4 N24 O88 -","4","1","","Homberg, Alexandre; Navazio, Federica; Le Tellier, Antoine; Zinna, Francesco; Fürstenberg, Alexandre; Besnard, Céline; Di Bari, Lorenzo; Lacour, Jerome","Circularly polarized luminescence from Tb(III) interacting with chiral polyether macrocycles","Dalton Transactions","2022","","","","","10.1039/D2DT02627A","","x-ray","1.54184","CuKα","","0.0465","0.0439","","","0.1169","0.1192","","","","","","1.034","","","","has coordinates","278339","2022-10-04","22:54:07",""
"7711389","18.7386","0.0008","22.8598","0.001","18.0928","0.0007","90","","90","","90","","7750.2","0.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)dysprosium(III)] octahydrate}","","- C28 H46 Dy N4 Na O23 -","- C28 H46 Dy N4 Na O23 -","- C224 H368 Dy8 N32 Na8 O184 -","8","1","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Zabala-Lekuona, Andoni; Rodríguez Diéguez, Antonio; Cepeda, Javier","An Experimental and Theoretical Study of the Magnetic Relaxation in Heterometallic Coordination Polymers Based on 6-methyl-2-oxonicotinate and Lanthanide(III) Ions with Square Antriprismatic Environment","Dalton Transactions","2022","","","","","10.1039/D2DT02401B","","","0.71073","MoKα","","0.0209","0.0184","","","0.0477","0.0496","","","","","","1.068","","","","has coordinates","278340","2022-10-04","22:54:42",""
"7711390","17.0718","0.0003","21.7958","0.0005","16.8889","0.0004","90","","91.0545","0.0017","90","","6283.2","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B4 F4 K2 N4 O16 -","- C52 H74 B4 F4 K2 N4 O16 -","- C208 H296 B16 F16 K8 N16 O64 -","4","1","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.5418","CuKα","","0.0734","0.0601","","0.1652","0.1513","0.1652","","","","","","0.9561","","","","has coordinates","278341","2022-10-04","22:56:09",""
"7711391","11.9568","0.0002","11.9568","0.0002","16.1148","0.0005","90","","90","","90","","2303.85","0.09","150","","150","","","","","","","","","4","I 4/m","-I 4","87","","","","- C12 H12 B2 O3 -","- C12 H12 B2 O3 -","- C96 H96 B16 O24 -","8","0.5","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.5418","CuKα","","0.0547","0.0524","","0.1589","0.1537","0.1589","","","","","","0.9261","","","","has coordinates","278341","2022-10-04","22:56:11",""
"7711392","23.344","0.0011","5.0532","0.0002","16.8609","0.0008","90","","110.312","0.005","90","","1865.26","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B4 O7 -","- C20 H18 B4 O7 -","- C80 H72 B16 O28 -","4","0.5","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.5418","CuKα","","0.0551","0.0505","","0.154","0.1418","0.154","","","","","","0.9518","","","","has coordinates","278341","2022-10-04","22:56:11",""
"7711393","19.2644","0.0002","18.4583","0.0002","17.103","0.0002","90","","91.827","0.001","90","","6078.53","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H35 B2 N O2 -","- C36 H35 B2 N O2 -","- C288 H280 B16 N8 O16 -","8","1","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.54184","CuKα","","0.0543","0.0495","","","0.1408","0.1468","","","","","","1.044","","","","has coordinates,has disorder","278341","2022-10-04","22:56:11",""
"7711394","18.9501","0.0003","13.2833","0.0002","17.0325","0.0002","90","","90.773","0.001","90","","4287.03","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 B2 F K O8 -","- C46 H56 B2 F K O8 -","- C184 H224 B8 F4 K4 O32 -","4","1","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.54184","CuKα","","0.047","0.0364","","","0.093","0.1006","","","","","","1.017","","","","has coordinates,has disorder","278341","2022-10-04","22:56:11",""
"7711395","14.1748","0.0001","13.7748","0.0001","19.7539","0.0002","90","","105.273","0.001","90","","3720.82","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 B2 F N3 O2 S -","- C40 H50 B2 F N3 O2 S -","- C160 H200 B8 F4 N12 O8 S4 -","4","1","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.54184","CuKα","","0.0537","0.0503","","","0.1441","0.1478","","","","","","1.043","","","","has coordinates,has disorder","278341","2022-10-04","22:56:12",""
"7711396","19.484","0.004","19.062","0.004","38.558","0.008","90","","90","","90","","14321","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C51.5 H107 Na13 O11 -","- C51.5 H107 Na13 O11 -","- C412 H856 Na104 O88 -","8","1","","Cebi, Erkam; Streit, Sarah Marie; Klett, Jan","Size- and shape-adaptable mixed-alkoxide-aggregates: encapsulation of tetrafluoroborate and butadiynediide.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01517j","","","0.71073","MoKα","","0.0439","0.0312","","","0.0844","0.0875","","","","","","0.915","","","","has coordinates,has disorder","278342","2022-10-04","22:57:08",""
"7711397","9.5199","0.0005","10.4152","0.0006","12.6533","0.0007","84.4347","0.0015","79.2703","0.0015","67.2952","0.0014","1136.7","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 La N9 O9 -","- C18 H15 La N9 O9 -","- C36 H30 La2 N18 O18 -","2","1","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0281","0.0228","","","0.0466","0.0482","","","","","","1.08","","","","has coordinates,has disorder","278359","2022-10-05","14:17:36",""
"7711398","9.4853","0.0004","10.3887","0.0005","12.6157","0.0006","84.4594","0.0015","79.4366","0.0014","67.3666","0.0014","1127.5","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Ce N9 O9 -","- C18 H15 Ce N9 O9 -","- C36 H30 Ce2 N18 O18 -","2","1","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.014","0.0138","","","0.0354","0.0355","","","","","","1.087","","","","has coordinates,has disorder","278359","2022-10-05","14:17:36",""
"7711399","9.4901","0.0004","10.3535","0.0005","12.5438","0.0005","84.3246","0.0013","79.5509","0.0013","67.1626","0.0013","1116.5","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N9 Nd O9 -","- C18 H15 N9 Nd O9 -","- C36 H30 N18 Nd2 O18 -","2","1","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0154","0.0152","","","0.0383","0.0384","","","","","","1.118","","","","has coordinates,has disorder","278359","2022-10-05","14:17:37",""
"7711400","9.4774","0.0004","10.3232","0.0004","12.4655","0.0005","84.0976","0.0013","80.067","0.0013","66.9366","0.0012","1104.45","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N9 O9 Sm -","- C18 H15 N9 O9 Sm -","- C36 H30 N18 O18 Sm2 -","2","1","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0176","0.0171","","","0.0448","0.0451","","","","","","1.103","","","","has coordinates,has disorder","278359","2022-10-05","14:17:37",""
"7711401","9.4618","0.0004","10.3098","0.0005","12.4302","0.0006","83.9876","0.0017","80.541","0.0018","66.8943","0.0016","1099.04","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Eu N9 O9 -","- C18 H15 Eu N9 O9 -","- C36 H30 Eu2 N18 O18 -","2","1","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0227","0.0207","","","0.0514","0.0526","","","","","","1.099","","","","has coordinates,has disorder","278359","2022-10-05","14:17:37",""
"7711402","9.3859","0.0005","10.4122","0.0005","12.1355","0.0006","97.9575","0.0015","92.8219","0.0015","114.239","0.0015","1063.6","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 N18 O15.5 Tb2 -","- C36 H25 N18 O15.5 Tb2 -","- C36 H25 N18 O15.5 Tb2 -","1","0.5","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0139","0.0137","","","0.0367","0.0372","","","","","","1.033","","","","has coordinates","278359","2022-10-05","14:17:37",""
"7711403","9.3751","0.0005","10.3758","0.0005","12.0667","0.0005","98.0007","0.0014","93.1898","0.0014","114.349","0.0013","1050.62","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 Er2 N18 O15.5 -","- C36 H25 Er2 N18 O15.5 -","- C36 H25 Er2 N18 O15.5 -","1","0.5","","Wang, Ai; Zhang, Yatong; Lu, Liping; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi","Seven Ln(III) coordination polymers with two kinds of geometric coordination but the same 3D topological property: luminescence sensing and magnetic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","32","12324","12333","10.1039/d2dt01024k","","","0.71073","MoKα","","0.0143","0.0141","","","0.0357","0.0358","","","","","","1.054","","","","has coordinates","278359","2022-10-05","14:17:37",""
"7711404","30.253","0.0009","17.0358","0.0004","24.1031","0.0006","90","","123.388","0.003","90","","10372.2","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H119 Dy4 N15 O35 -","- C84 H100 Dy4 N11 O27 -","- C336 H400 Dy16 N44 O108 -","4","0.5","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0281","0.022","","","0.0589","0.0614","","","","","","1.059","","","","has coordinates,has disorder","278360","2022-10-05","14:25:32",""
"7711405","9.1368","0.0005","13.0737","0.0008","14.5753","0.0008","73.361","0.002","88.269","0.002","84.129","0.002","1659.39","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 N7 O14 Yb Zn -","- C25 H32 N7 O14 Yb Zn -","- C50 H64 N14 O28 Yb2 Zn2 -","2","1","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0447","0.0307","","","0.0493","0.0533","","","","","","1.05","","","","has coordinates","278360","2022-10-05","14:25:32",""
"7711406","9.1607","0.0004","13.0748","0.0007","14.5902","0.0007","73.561","0.002","88.392","0.001","84.147","0.002","1667.36","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Er N7 O14 Zn -","- C25 H32 Er N7 O14 Zn -","- C50 H64 Er2 N14 O28 Zn2 -","2","1","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0523","0.0345","","","0.0569","0.0621","","","","","","1.059","","","","has coordinates","278360","2022-10-05","14:25:32",""
"7711407","9.1667","0.0004","13.0847","0.0006","14.5952","0.0006","73.713","0.002","88.479","0.002","84.283","0.002","1671.99","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Dy N7 O14 Zn -","- C25 H32 Dy N7 O14 Zn -","- C50 H64 Dy2 N14 O28 Zn2 -","2","1","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0457","0.0305","","","0.0502","0.0539","","","","","","1.064","","","","has coordinates","278360","2022-10-05","14:25:32",""
"7711408","30.398","0.004","17.011","0.002","24.192","0.005","90","","123.597","0.001","90","","10420","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H122 Gd4 N16 O35 -","- C84 H100 Gd4 N11 O27 -","- C336 H400 Gd16 N44 O108 -","4","0.5","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0958","0.0488","","","0.0844","0.0973","","","","","","1.033","","","","has coordinates,has disorder","278360","2022-10-05","14:25:32",""
"7711409","13.0277","0.0004","13.5623","0.0004","13.8395","0.0005","108.094","0.001","107.944","0.001","110.01","0.001","1934.76","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","2","","Peng, Guo; Yang, Qi; Chen, Yue; Dong, Xiang-Tao; Zhang, Zaichao; Ren, Xiao-Ming","Single molecule magnet behavior and luminescence of {Ln<sub>4</sub>} and {LnZn} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12484","12493","10.1039/d2dt01365g","","","0.71073","MoKα","","0.0706","0.0417","","","0.0946","0.1119","","","","","","0.989","","","","has coordinates,has disorder","278360","2022-10-05","14:25:32",""
"7711410","18.463","0.004","20.693","0.004","23.117","0.005","116.54","0.03","99.06","0.03","102.29","0.03","7391","4","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C220 H380 Cu24 N12 O24 Si24 -","- C220 H380 Cu24 N12 O24 Si24 -","- C220 H380 Cu24 N12 O24 Si24 -","1","0.5","","Jiang, Wenjun; Wang, Jinjin; Chen, Yilin; Chen, Zhikang; Li, Jiancheng; Jiang, Liuyin; Peng, Yanbo; Zhu, Hongping","Cuproussiloxane as two self-assemblies, Cu<sub>20</sub>O<sub>20</sub>Si<sub>10</sub>Me<sub>10</sub>R<sub>10</sub> and Cu<sub>24</sub>O<sub>24</sub>Si<sub>12</sub>Me<sub>12</sub>R<sub>12</sub>, with catalytic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12432","12435","10.1039/d2dt01018f","","","0.71073","MoKα","","0.1133","0.0806","","","0.2032","0.2234","","","","","","0.955","","","","has coordinates,has disorder","278361","2022-10-05","14:31:20",""
"7711411","18.0648","0.0005","20.5162","0.0006","23.1502","0.0008","112.836","0.003","100.175","0.003","101.388","0.003","7440.9","0.5","100","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C240 H412 Cu24 N12 O24 Si24 -","- C192 H348 Cu24 N12 O24 Si24 -","- C192 H348 Cu24 N12 O24 Si24 -","1","0.5","","Jiang, Wenjun; Wang, Jinjin; Chen, Yilin; Chen, Zhikang; Li, Jiancheng; Jiang, Liuyin; Peng, Yanbo; Zhu, Hongping","Cuproussiloxane as two self-assemblies, Cu<sub>20</sub>O<sub>20</sub>Si<sub>10</sub>Me<sub>10</sub>R<sub>10</sub> and Cu<sub>24</sub>O<sub>24</sub>Si<sub>12</sub>Me<sub>12</sub>R<sub>12</sub>, with catalytic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12432","12435","10.1039/d2dt01018f","","","1.54184","CuKα","","0.152","0.1228","","","0.3293","0.3559","","","","","","1.044","","","","has coordinates","278361","2022-10-05","14:31:20",""
"7711412","17.9559","0.0004","34.2763","0.0008","39.5585","0.001","90","","101.029","0.002","90","","23897.1","1","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172.5 H311 Cl Cu20 N10 O20 Si20 -","- C172.5 H311 Cl Cu20 N10 O20 Si20 -","- C690 H1244 Cl4 Cu80 N40 O80 Si80 -","4","1","","Jiang, Wenjun; Wang, Jinjin; Chen, Yilin; Chen, Zhikang; Li, Jiancheng; Jiang, Liuyin; Peng, Yanbo; Zhu, Hongping","Cuproussiloxane as two self-assemblies, Cu<sub>20</sub>O<sub>20</sub>Si<sub>10</sub>Me<sub>10</sub>R<sub>10</sub> and Cu<sub>24</sub>O<sub>24</sub>Si<sub>12</sub>Me<sub>12</sub>R<sub>12</sub>, with catalytic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12432","12435","10.1039/d2dt01018f","","","0.71073","MoKα","","0.1065","0.0585","","","0.1217","0.1389","","","","","","1.004","","","","has coordinates,has disorder","278361","2022-10-05","14:31:20",""
"7711413","21.1659","0.0003","26.5516","0.0003","26.8313","0.0004","90.063","0.001","106.398","0.001","112.006","0.001","13314.5","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C209 H342 Cu20 N10 O20 Si20 -","- C209 H342 Cu20 N10 O20 Si20 -","- C418 H684 Cu40 N20 O40 Si40 -","2","1","","Jiang, Wenjun; Wang, Jinjin; Chen, Yilin; Chen, Zhikang; Li, Jiancheng; Jiang, Liuyin; Peng, Yanbo; Zhu, Hongping","Cuproussiloxane as two self-assemblies, Cu<sub>20</sub>O<sub>20</sub>Si<sub>10</sub>Me<sub>10</sub>R<sub>10</sub> and Cu<sub>24</sub>O<sub>24</sub>Si<sub>12</sub>Me<sub>12</sub>R<sub>12</sub>, with catalytic property.","Dalton transactions (Cambridge, England : 2003)","2022","51","33","12432","12435","10.1039/d2dt01018f","","","0.71073","MoKα","","0.1069","0.0688","","","0.1491","0.1639","","","","","","1.041","","","","has coordinates,has disorder","278361","2022-10-05","14:31:20",""
"7711414","11.0084","0.0008","11.5337","0.0008","17.1823","0.0011","103.679","0.002","94.344","0.002","116.617","0.002","1853.2","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H52 Cl3 Li N3 O3 Y -","- C31 H52 Cl3 Li N3 O3 Y -","- C62 H104 Cl6 Li2 N6 O6 Y2 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.0712","0.0511","","","0.1002","0.1124","","","","","","1.0916","","","","has coordinates,has disorder","278362","2022-10-05","14:50:03",""
"7711415","10.9753","0.0017","11.5275","0.0016","17.147","0.003","103.943","0.005","94.042","0.006","116.603","0.005","1842.4","0.5","300","","300","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H52 Cl3 Li N3 O3 Yb -","- C31 H52 Cl3 Li N3 O3 Yb -","- C62 H104 Cl6 Li2 N6 O6 Yb2 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.0543","0.0373","","","0.0741","0.0826","","","","","","1.076","","","","has coordinates,has disorder","278362","2022-10-05","14:50:09",""
"7711416","11.1438","0.0011","11.2147","0.0012","21.504","0.002","86.101","0.002","84.965","0.002","69.876","0.001","2511.6","0.4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H65 N4 O Si Y -","- C39 H65 N4 O Si Y -","- C78 H130 N8 O2 Si2 Y2 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.1242","0.0722","","","0.183","0.2091","","","","","","0.964","","","","has coordinates","278362","2022-10-05","14:50:10",""
"7711417","11.519","0.002","17.466","0.003","19.217","0.004","90","","99.326","0.003","90","","3815.2","1.2","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H58 N3 O Si2 Y -","- C31 H58 N3 O Si2 Y -","- C124 H232 N12 O4 Si8 Y4 -","4","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.1169","0.0722","","","0.1703","0.2042","","","","","","1.049","","","","has coordinates,has disorder","278362","2022-10-05","14:50:10",""
"7711418","11.5135","0.0006","17.4563","0.001","19.1193","0.001","90","","99.047","0.001","90","","3794.9","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H58 N3 O Si2 Yb -","- C31 H58 N3 O Si2 Yb -","- C124 H232 N12 O4 Si8 Yb4 -","4","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.059","0.0343","","","0.0733","0.0824","","","","","","1.012","","","","has coordinates,has disorder","278362","2022-10-05","14:50:10",""
"7711419","11.5104","0.001","17.4656","0.0015","19.0773","0.0016","90","","98.944","0.001","90","","3788.6","0.6","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H58 Lu N3 O Si2 -","- C31 H58 Lu N3 O Si2 -","- C124 H232 Lu4 N12 O4 Si8 -","4","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.0587","0.0434","","","0.1174","0.1269","","","","","","1.05","","","","has coordinates,has disorder","278362","2022-10-05","14:50:10",""
"7711420","10.896","0.008","11.454","0.007","17.044","0.01","103.77","0.03","94.2","0.03","117.04","0.03","1799","2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H52 Cl3 Li Lu N3 O3 -","- C31 H52 Cl3 Li Lu N3 O3 -","- C62 H104 Cl6 Li2 Lu2 N6 O6 -","2","1","","Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu","Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C-O and C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2022","51","35","13227","13235","10.1039/d2dt02053j","","","0.71073","MoKα","","0.0308","0.0261","","","0.0617","0.0642","","","","","","1.146","","","","has coordinates,has disorder","278362","2022-10-05","14:50:10",""
"7711421","13.5996","0.0004","15.0087","0.0004","15.709","0.0005","90","","90.733","0.001","90","","3206.14","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Br2 Gd Mn N5 O13 -","- C24 H28 Br2 Gd Mn N5 O13 -","- C96 H112 Br8 Gd4 Mn4 N20 O52 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71069","MoKα","","0.0328","0.0246","","","0.0585","0.0617","","","","","","1.057","","","","has coordinates","278363","2022-10-05","14:55:07",""
"7711422","12.7783","0.0008","16.8706","0.0011","15.519","0.001","90","","92.7364","0.0012","90","","3341.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Dy Mn N6 O14 -","- C26 H41 Dy Mn N6 O14 -","- C104 H164 Dy4 Mn4 N24 O56 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71069","MoKα","","0.0443","0.0343","","","0.0732","0.0779","","","","","","1.035","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711423","13.4699","0.0019","23.62","0.003","14.908","0.002","90","","102.773","0.0016","90","","4625.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Gd Mn N7 O12 -","- C44 H52 Gd Mn N7 O12 -","- C176 H208 Gd4 Mn4 N28 O48 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71069","MoKα","","0.0262","0.024","","","0.0585","0.06","","","","","","1.037","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711424","13.5722","0.0002","14.9625","0.0002","15.7042","0.0002","90","","90.476","0.001","90","","3189.01","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Br2 Dy Mn N5 O13 -","- C24 H28 Br2 Dy Mn N5 O13 -","- C96 H112 Br8 Dy4 Mn4 N20 O52 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71073","MoKα","","0.0287","0.0244","","","0.055","0.0572","","","","","","1.059","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711425","11.3886","0.0006","14.6602","0.0007","20.2613","0.0011","90","","101.593","0.002","90","","3313.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Dy Mn N5 O12 -","- C27 H40 Dy Mn N5 O12 -","- C108 H160 Dy4 Mn4 N20 O48 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71073","MoKα","","0.0484","0.0289","","","0.0551","0.0592","","","","","","1.025","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711426","11.079","0.005","12.456","0.005","14.319","0.005","111.133","0.005","105.343","0.005","98.898","0.005","1707.4","1.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H94 Gd2 Mn2 N8 O26 -","- C56 H94 Gd2 Mn2 N8 O26 -","- C56 H94 Gd2 Mn2 N8 O26 -","1","0.5","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","1.54184","CuKα","","0.0641","0.0534","","","0.132","0.1411","","","","","","1.015","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711427","11.3864","0.0007","14.6689","0.0007","20.1339","0.0001","90","","101.147","0.002","90","","3299.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Gd Mn N5 O12 -","- C27 H40 Gd Mn N5 O12 -","- C108 H160 Gd4 Mn4 N20 O48 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71073","MoKα","","0.0859","0.0531","","","0.1047","0.1166","","","","","","1.03","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711428","10.702","0.002","12.462","0.003","14.27","0.003","111.316","0.003","104.241","0.003","98.203","0.003","1660.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 Dy2 Mn2 N8 O24 -","- C56 H90 Dy2 Mn2 N8 O24 -","- C56 H90 Dy2 Mn2 N8 O24 -","1","0.5","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71069","MoKα","","0.0645","0.0457","","","0.0975","0.1052","","","","","","0.998","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711429","13.4614","0.0016","23.617","0.003","14.8845","0.0018","90","","102.675","0.0012","90","","4616.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Dy Mn N7 O12 -","- C44 H52 Dy Mn N7 O12 -","- C176 H208 Dy4 Mn4 N28 O48 -","4","1","","Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique","Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12954","12967","10.1039/d2dt01869a","","","0.71069","MoKα","","0.0212","0.0203","","","0.0505","0.0511","","","","","","1.051","","","","has coordinates","278363","2022-10-05","14:55:11",""
"7711430","10.1347","0.0002","15.7212","0.0003","22.1257","0.0004","90","","100.143","0.002","90","","3470.18","0.12","93.15","","93.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F3 Ir N3 O4 S Si -","- C31 H44 F3 Ir N3 O4 S Si -","- C124 H176 F12 Ir4 N12 O16 S4 Si4 -","4","1","","Iizuka, Kosuke; Nakajima, Yumiko; Sato, Kazuhiko","Heterolytic cleavage of a Si-H bond by a metal-ligand cooperation of a cationic iridium amido complex and hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12781","12785","10.1039/d2dt01733d","","x-ray","0.71073","MoKα","","0.0436","0.0326","","","0.0762","0.0786","","","","","","1.055","","","","has coordinates","278364","2022-10-05","14:58:20",""
"7711431","11.3688","0.0003","11.7329","0.0003","15.0057","0.0003","104.111","0.002","91.708","0.002","113.962","0.002","1755.06","0.08","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 F3 Ir N3 O7 S Si -","- C31 H44 F3 Ir N3 O7 S Si -","- C62 H88 F6 Ir2 N6 O14 S2 Si2 -","2","1","","Iizuka, Kosuke; Nakajima, Yumiko; Sato, Kazuhiko","Heterolytic cleavage of a Si-H bond by a metal-ligand cooperation of a cationic iridium amido complex and hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","12781","12785","10.1039/d2dt01733d","","x-ray","1.54184","CuKα","","0.0641","0.047","","","0.1043","0.1102","","","","","","1.026","","","","has coordinates,has disorder","278364","2022-10-05","14:58:20",""
"7711432","9.9405","0.0004","10.7661","0.0004","11.2466","0.0004","102.225","0.001","90.625","0.001","115.296","0.001","1056.5","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cl4 Gd2 N4 O20 -","- C24 H48 Cl4 Gd2 N4 O20 -","- C24 H48 Cl4 Gd2 N4 O20 -","1","0.5","","Sun, Qiwen; Wang, Xiaomei; Shi, Cen; Guan, Jingwen; Chen, Lanhua; Wang, Yumin; Wang, Shuao; Diwu, Juan","Effective mitigation of gadolinium deposition using the bidentate hydroxypyridinone ligand Me-3,2-HOPO.","Dalton transactions (Cambridge, England : 2003)","2022","51","34","13055","13060","10.1039/d2dt00747a","","","0.71073","MoKα","","0.0353","0.0257","","","0.0594","0.0679","","","","","","1.089","","","","has coordinates","278365","2022-10-05","15:00:42",""
"7711433","29.949","0.0005","12.2649","0.0002","21.5496","0.0004","90","","90","","90","","7915.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C60 H136 Cl11 Eu15 N12 O86 -","- C60 H136 Cl11 Eu15 N12 O86 -","- C120 H272 Cl22 Eu30 N24 O172 -","2","0.25","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.1089","0.1036","","","0.2711","0.2758","","","","","","1.042","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"7711434","30.0081","0.0009","12.3183","0.0003","21.6051","0.0006","90","","90","","90","","7986.3","0.4","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C60 H144 Cl12 N10 O80 Sm15 -","- C60 H144 Cl12 N10 O80 Sm15 -","- C120 H288 Cl24 N20 O160 Sm30 -","2","0.25","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","0.71073","MoKα","","0.1124","0.0863","","","0.227","0.2631","","","","","","1.134","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"7711435","21.4098","0.0003","29.7523","0.0004","24.2371","0.0004","90","","90","","90","","15438.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C60 H160 Cl15 Ho15 N10 O80 -","- C60 H160 Cl15 Ho15 N10 O80 -","- C240 H640 Cl60 Ho60 N40 O320 -","4","0.5","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.112","0.0955","","","0.2622","0.2857","","","","","","1.016","","","","has coordinates,has disorder","278371","2022-10-05","22:39:05",""
"7711436","21.5433","0.0003","29.8188","0.0003","24.4709","0.0004","90","","90","","90","","15720","0.4","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C60 H140 Cl14 Dy15 N10 O80 -","- C60 H140 Cl14 Dy15 N10 O80 -","- C240 H560 Cl56 Dy60 N40 O320 -","4","0.5","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","1.54184","CuKα","","0.1218","0.1042","","","0.2998","0.3186","","","","","","1.291","","","","has coordinates","278371","2022-10-05","22:39:05",""
"7711437","13.4425","0.0002","21.4389","0.0004","29.9936","0.0004","90","","91.448","0.001","90","","8641.2","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H160 Cl11 N14 O92 Tb15 -","- C60 H160 Cl11 N14 O92 Tb15 -","- C120 H320 Cl22 N28 O184 Tb30 -","2","0.5","","Zou, Ying; Lv, Wei; Xue, Zhe; Pan, Jie; Li, Xiao-Yu; Wang, Guo-Ming","The pentagram-typed Ln15 (Ln=Dy, Tb, Eu, Sm, Ho) clusters with different anion templates: magnetic and luminescent properties","Dalton Transactions","2022","","","","","10.1039/D2DT02712G","","x-ray","0.71073","MoKα","","0.0764","0.0546","","","0.1438","0.1609","","","","","","1.023","","","","has coordinates","278371","2022-10-05","22:39:05",""
"7711438","8.089","0.0016","11.408","0.002","11.517","0.002","111.13","0.03","103.02","0.03","106.4","0.03","885.2","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- O22.5 U5.5 Y -","- O22.5 U5.5 Y -","- O45 U11 Y2 -","2","1","","Ablott, Timothy A.; Lu, Kimbal T.; Aughterson, Robert D.; Zhang, Yingjie","Uranium oxide hydrate frameworks with Er(iii) or Y(iii) ions: revealing structural insights leading to the low symmetry","Dalton Transactions","2022","","","","","10.1039/D2DT02763A","","","0.71095","silicondoublecrystalmonochromatedsynchrotron","","0.048","0.0468","","","0.1402","0.1422","","","","","","1.123","","","","has coordinates","278372","2022-10-05","22:39:57",""
"7711439","8.106","0.0016","11.435","0.002","11.582","0.002","111.33","0.03","102.97","0.03","106.48","0.03","892.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- Er O22.5 U5.5 -","- Er O22.5 U5.5 -","- Er2 O45 U11 -","2","1","","Ablott, Timothy A.; Lu, Kimbal T.; Aughterson, Robert D.; Zhang, Yingjie","Uranium oxide hydrate frameworks with Er(iii) or Y(iii) ions: revealing structural insights leading to the low symmetry","Dalton Transactions","2022","","","","","10.1039/D2DT02763A","","","0.71095","silicondoublecrystalmonochromatedsynchrotron","","0.106","0.0914","","","0.2623","0.287","","","","","","1.07","","","","has coordinates","278372","2022-10-05","22:39:58",""
"7711440","8.3053","0.0015","9.533","0.0018","30.667","0.006","90","","90","","90","","2428","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H20.44 I4 N6 O4.22 Pb -","- C12 H20.44 I4 N6 O4.22 Pb -","- C48 H81.76 I16 N24 O16.88 Pb4 -","4","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.1001","0.0524","","","0.0654","0.0794","","","","","","0.984","","","","has coordinates","278373","2022-10-05","22:40:41",""
"7711441","9.2006","0.0006","7.8434","0.0006","29.935","0.002","90","","90","","90","","2160.2","0.3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H20 Br4 N6 O4 Pb -","- C12 H20 Br4 N6 O4 Pb -","- C48 H80 Br16 N24 O16 Pb4 -","4","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.1264","0.0875","","","0.1883","0.2121","","","","","","1.157","","","","has coordinates","278373","2022-10-05","22:40:41",""
"7711442","8.1236","0.0009","9.4686","0.0009","15.3633","0.0019","90","","95.658","0.011","90","","1176","0.2","227","40","227","40","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H20 Br0.4 I3.6 N6 O4 Pb -","- C12 H20 Br0.4 I3.6 N6 O4 Pb -","- C24 H40 Br0.8 I7.2 N12 O8 Pb2 -","2","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.0798","0.0499","","","0.1054","0.1112","","","","","","0.935","","","","has coordinates,has disorder","278373","2022-10-05","22:40:41",""
"7711443","18.0369","0.0004","16.9127","0.0004","27.672","0.0006","90","","104.82","0.002","90","","8160.6","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N5 Zn -","- C42 H54 N5 Zn -","- C336 H432 N40 Zn8 -","8","1","","Sahoo, Rajata Kumar; Rajput, Sagrika; Patro, A. Ganesh; Nembenna, Sharanappa","Synthesis of low oxidation state zinc(i) complexes and their catalytic studies in the dehydroborylation of terminal alkynes","Dalton Transactions","2022","","","","","10.1039/D2DT02846H","","x-ray","0.71073","MoKα","","0.0346","0.0305","","","0.0786","0.0807","","","","","","1.057","","","","has coordinates","278388","2022-10-06","22:55:06",""
"7711444","12.893","0.0001","12.9295","0.0002","14.8009","0.0002","77.63","0.001","71.415","0.001","71.687","0.001","2202.29","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C102 H122 N10 Zn2 -","- C102 H122 N10 Zn2 -","- C102 H122 N10 Zn2 -","1","0.5","","Sahoo, Rajata Kumar; Rajput, Sagrika; Patro, A. Ganesh; Nembenna, Sharanappa","Synthesis of low oxidation state zinc(i) complexes and their catalytic studies in the dehydroborylation of terminal alkynes","Dalton Transactions","2022","","","","","10.1039/D2DT02846H","","x-ray","0.71073","MoKα","","0.0393","0.0348","","","0.0911","0.0936","","","","","","1.047","","","","has coordinates","278388","2022-10-06","22:55:06",""
"7711445","18.4701","0.0005","18.7158","0.0005","25.6171","0.0008","90","","90","","90","","8855.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H115 Ce N12 Ni4 O33 -","- C60 H115 Ce N12 Ni4 O33 -","- C240 H460 Ce4 N48 Ni16 O132 -","4","1","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0567","0.047","","","0.1317","0.1338","","","","","","1.026","","","","has coordinates","278495","2022-10-07","22:56:04",""
"7711446","11.9438","0.0019","11.9438","0.0019","26.82","0.004","90","","90","","120","","3313.4","0.9","291","2","291","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C30 H76 Cl La N12 Ni5 O44 -","- C30 H76 Cl La N12 Ni5 O44 -","- C60 H152 Cl2 La2 N24 Ni10 O88 -","2","0.166667","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0549","0.0489","","","0.1316","0.1327","","","","","","1.058","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711447","9.0019","0.0013","9.0019","0.0013","30.036","0.005","90","","90","","120","","2107.9","0.6","296","2","296","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H58 Cl3 Co2 N6 O24 Tb -","- C30 H58 Cl3 Co2 N6 O24 Tb -","- C60 H116 Cl6 Co4 N12 O48 Tb2 -","2","0.0833333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0786","0.0756","","","0.2054","0.2069","","","","","","1.076","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711448","13.4684","0.0016","13.4684","0.0016","13.0934","0.0016","90","","90","","120","","2056.9","0.4","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C15 H32 Co N3 O10 -","- C15 H32 Co N3 O10 -","- C60 H128 Co4 N12 O40 -","4","0.333333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0656","0.0357","","","0.0754","0.0824","","","","","","1.012","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711449","11.999","0.004","11.999","0.004","26.786","0.018","90","","90","","120","","3340","3","291","2","291","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C30 H76 Ce Cl N12 Ni5 O44 -","- C30 H76 Ce Cl N12 Ni5 O44 -","- C60 H152 Ce2 Cl2 N24 Ni10 O88 -","2","0.166667","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.051","0.0444","","","0.1158","0.1169","","","","","","1.01","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711450","9.0019","0.0013","9.0019","0.0013","30.036","0.005","90","","90","","120","","2107.9","0.6","296","2","296","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C30 H64 Cl3 Co2 N6 O24 Tb -","- C30 H64 Cl3 Co2 N6 O24 Tb -","- C60 H128 Cl6 Co4 N12 O48 Tb2 -","2","0.0833333","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0715","0.0688","","","0.1809","0.1819","","","","","","1.032","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711451","12.7937","0.0005","28.877","0.0011","15.5362","0.0006","90","","102.944","0.004","90","","5593.9","0.4","294","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H152 Cl6 N12 Ni9 O76 -","- C60 H152 Cl6 N12 Ni9 O76 -","- C120 H304 Cl12 N24 Ni18 O152 -","2","0.25","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0632","0.0476","","","0.1384","0.1499","","","","","","1.034","","","","has coordinates","278495","2022-10-07","22:56:05",""
"7711452","25.5669","0.0014","42.314","0.002","44.056","0.003","66.807","0.001","86.394","0.001","77.298","0.001","42723","4","190","1","190","1","","","","","","","","8","P -1","-P 1","2","","Cd-Sm nanocluster","","- C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12 -","- C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12 -","- C1100 H1282 Br80 Cd88 Cl62 N80 O380 Sm24 -","2","1","","Leng, Xilong; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Li, Hao; Zhang, Zhen; Yang, Keqin; Schipper, Desmond","Rapid and reliable triple-emissive detection of 2,6-dichloro-4-nitroaniline as a pesticide based on a high-nuclear Cd(II)-Sm(III) nanocluster","Dalton Transactions","2022","","","","","10.1039/D2DT02901D","","","0.710747","MoKα","","0.2228","0.0952","","","0.1742","0.2455","","","","","","0.831","","","","has coordinates","278501","2022-10-08","22:46:25",""
"7711453","10.2996","0.0005","13.3878","0.0008","13.7436","0.0008","85.804","0.005","83.91","0.004","80.738","0.005","1856.79","0.18","100.01","0.11","100.01","0.11","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C40 H48 Co N2 O2 S2 -","- C40 H48 Co N2 O2 S2 -","- C80 H96 Co2 N4 O4 S4 -","2","1","","Mukherjee, Chandan; Sarkar, Prasenjit; Sarmah, Amrit","Where is the Unpaired-Electron Density? A Combined Experimental and Theoretical Finding on Geometric and Electronic Structures of Co(III) and Mn(IV) Complexes of Unsymmetrical Non-innocent Pincer ONS Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01868C","","x-ray","0.71073","MoKα","","0.0548","0.0439","","","0.1093","0.1187","","","","","","1.05","","","","has coordinates","278534","2022-10-11","23:00:57",""
"7711454","21.3127","0.001","18.3726","0.0008","10.8905","0.0005","90","","103.952","0.004","90","","4138.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Mn N2 O2 S2 -","- C40 H48 Mn N2 O2 S2 -","- C160 H192 Mn4 N8 O8 S8 -","4","1","","Mukherjee, Chandan; Sarkar, Prasenjit; Sarmah, Amrit","Where is the Unpaired-Electron Density? A Combined Experimental and Theoretical Finding on Geometric and Electronic Structures of Co(III) and Mn(IV) Complexes of Unsymmetrical Non-innocent Pincer ONS Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01868C","","","0.71073","MoKα","","0.0669","0.0492","","","0.122","0.1305","","","","","","1.043","","","","has coordinates,has disorder","278534","2022-10-11","23:00:57",""
"7711455","12.7176","0.0004","15.2066","0.0005","20.0501","0.0005","81.878","0.002","78.234","0.002","83.75","0.003","3745.1","0.2","159.9","0.3","159.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C66 H68 Cl5 Cr Cu4 N12 O24 -","- C66 H59.332 Cl5 Cr Cu4 N12 O20 -","- C132 H118.664 Cl10 Cr2 Cu8 N24 O40 -","2","1","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","x-ray","0.71073","MoKα","","0.0783","0.0441","","","0.0954","0.1108","","","","","","1.019","","","","has coordinates,has disorder","278535","2022-10-11","23:02:59",""
"7711456","10.867","0.0005","8.6697","0.0003","23.7339","0.0009","90","","96.663","0.004","90","","2220.95","0.15","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C38 H30 Cr Cu2 N7 O21 -","- C38 H30 Cr Cu2 N7 O21 -","- C76 H60 Cr2 Cu4 N14 O42 -","2","0.5","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","1.54184","CuKα","","0.0916","0.0844","","","","0.2689","","","","","","1.14","","","","has coordinates,has disorder","278535","2022-10-11","23:03:02",""
"7711457","12.148","0.003","13.597","0.019","13.88","0.02","75.06","0.12","71.12","0.09","74.93","0.08","2057","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Cr Cu2 N6 O20 -","- C37 H34 Cr Cu2 N6 O20 -","- C74 H68 Cr2 Cu4 N12 O40 -","2","1","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","0.71073","MoKα","","0.0988","0.0682","","","","0.2154","","","","","","1.001","","","","has coordinates","278535","2022-10-11","23:03:05",""
"7711458","12.4229","0.0003","12.8035","0.0003","15.611","0.0004","99.777","0.002","110.631","0.002","108.437","0.002","2090.98","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H72 Cr2 Cu4 N12 O42 -","- C74 H72 Cr2 Cu4 N12 O42 -","- C74 H72 Cr2 Cu4 N12 O42 -","1","0.5","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","1.54184","CuKα","","0.0328","0.0315","","","","0.0878","","","","","","1.031","","","","has coordinates","278535","2022-10-11","23:03:05",""
"7711459","13.8968","0.0003","14.6704","0.0002","17.5201","0.0003","102.093","0.002","102.941","0.002","107.378","0.002","3172.17","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C115.43 H90.72 Cr4 Cu6 N18 O61.36 -","- C115.44 H91.44 Cr4 Cu6 N18 O61.44 -","- C115.44 H91.44 Cr4 Cu6 N18 O61.44 -","1","0.5","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","1.54184","CuKα","","0.0432","0.0407","","","","0.1243","","","","","","1.071","","","","has coordinates","278535","2022-10-11","23:03:06",""
"7711460","12.0956","0.0016","29.969","0.004","14.092","0.003","90","","114.742","0.013","90","","4639.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Cr2 Cu4 N14 O47 -","- C72 H76 Cr2 Cu4 N14 O47 -","- C144 H152 Cr4 Cu8 N28 O94 -","2","0.5","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","0.71073","MoKα","","0.1887","0.069","","","","0.2098","","","","","","1.02","","","","has coordinates","278535","2022-10-11","23:03:06",""
"7711461","15.2116","0.0003","22.3842","0.0005","20.5541","0.0004","90","","95.685","0.002","90","","6964.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H59 Cr2 Cu3 N9 O38 -","- C57 H59 Cr2 Cu3 N9 O38 -","- C228 H236 Cr8 Cu12 N36 O152 -","4","1","","Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana","Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features","Dalton Transactions","2022","","","","","10.1039/D2DT01949C","","","1.54184","CuKα","","0.1179","0.0912","","","","0.3047","","","","","","1.113","","","","has coordinates,has disorder","278535","2022-10-11","23:03:06",""
"7711462","11.4012","0.0002","12.0453","0.0003","22.9156","0.0007","98.227","0.001","95.386","0.001","117.227","0.002","2723.76","0.13","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","C7","","- C61 H52 Au2 O P2 -","- C61 H52 Au2 O P2 -","- C122 H104 Au4 O2 P4 -","2","1","","de Aquino, Araceli; Caparrós, Francisco J.; Aullón, Gabriel; Truong, Khai-Nghi; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura","Development of gold(i) phosphorescent tweezers for sensing applications","Dalton Transactions","2022","","","","","10.1039/D2DT02515A","","","0.71073","MoKα","","0.0741","0.0449","","","0.0831","0.0905","","","","","","1.042","","","","has coordinates","278536","2022-10-11","23:04:51",""
"7711463","12.6841","0.0003","14.4742","0.0003","16.9097","0.0004","90","","98.756","0.002","90","","3068.31","0.12","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Cl F6 N3 P Ru -","- C32 H31 Cl F6 N3 P Ru -","- C128 H124 Cl4 F24 N12 P4 Ru4 -","4","1","","Navale, Govinda R.; Singh, Sain; Agrawal, Sonia; Ghosh, Chandrachur; Roychoudhury, Angshuman; Roy, Partha; Sarkar, Dhiman; Ghosh, Kaushik","DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(II) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02577A","","x-ray","0.71073","MoKα","","0.0497","0.0409","","","0.096","0.1041","","","","","","1.159","","","","has coordinates","278537","2022-10-11","23:05:27",""
"7711464","16.5723","0.0003","10.68317","0.00015","22.7188","0.0004","90","","95.6935","0.0018","90","","4002.4","0.12","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 N6 O14 Zn2 -","- C34 H44 N6 O14 Zn2 -","- C136 H176 N24 O56 Zn8 -","4","1","","Song, Dongxue; Ji, Xiaoxi; Li, Yong; Wu, Shuangyan; Zhang, Ying; Wang, Xiaofeng; Sun, Yaguang; Gao, Enjun; Zhu, Mingchang","Two novel zinc-based MOFs as luminescence sensors to detect phenylglyoxylic acid","Dalton Transactions","2022","","","","","10.1039/D2DT02406C","","","1.54184","CuKα","","0.0679","0.0546","","","0.1538","0.1616","","","","","","1.066","","","","has coordinates","278538","2022-10-11","23:06:43",""
"7711465","18.4312","0.0003","21.5199","0.0003","25.8251","0.0005","90","","109.529","0.002","90","","9653.9","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H100 N14 O29 Zn4 -","- C50 H44 N6 O21 Zn4 -","- C200 H176 N24 O84 Zn16 -","4","1","","Song, Dongxue; Ji, Xiaoxi; Li, Yong; Wu, Shuangyan; Zhang, Ying; Wang, Xiaofeng; Sun, Yaguang; Gao, Enjun; Zhu, Mingchang","Two novel zinc-based MOFs as luminescence sensors to detect phenylglyoxylic acid","Dalton Transactions","2022","","","","","10.1039/D2DT02406C","","x-ray","1.54184","CuKα","","0.1135","0.0968","","","0.2632","0.2798","","","","","","1.067","","","","has coordinates","278538","2022-10-11","23:06:45",""
"7711466","10.967","0.003","13.051","0.004","19.827","0.005","90","","98.094","0.003","90","","2809.6","1.4","125","2","125.07","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 N4 Pb2 Si2 -","- C20 H48 N4 Pb2 Si2 -","- C80 H192 N16 Pb8 Si8 -","4","0.5","","Popov, Georgi; Bačić, Goran; Van Dijck, Charlotte; Junkers, Laura S.; Weiß, Alexander; Mattinen, Miika; Vihervaara, Anton; Chundak, Mykhailo; Jalkanen, Pasi; Mizohata, Kenichiro; Leskelä, Markku; Masuda, Jason D.; Barry, Seán T; Ritala, Mikko; Kemell, Marianna","Atomic layer deposition of PbCl<sub>2</sub>, PbBr<sub>2</sub> and mixed lead halide (Cl, Br, I) PbX<sub><i>n</i></sub>Y<sub>2-<i>n</i></sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15142","15157","10.1039/d2dt02216h","","","0.71073","MoKα","","0.0326","0.0231","","","0.0417","0.0446","","","","","","1.005","","","","has coordinates","278539","2022-10-11","23:07:22",""
"7711467","10.4901","0.0003","11.0342","0.0003","5.1186","0.0001","90","","116.142","0.001","90","","531.87","0.02","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium oxonitridolithosilicate","","- Li3 N O2 Si -","- Li3 N O2 Si -","- Li24 N8 O16 Si8 -","8","1","","Wimmer, Daniel Sebastian; Rießbeck, Kilian Max; Seibald, Markus; Baumann, Dominik; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert","Crystal structure and luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+","Dalton Transactions","2022","","","","","10.1039/D2DT03064K","","x-ray","0.71073","MoKα","","0.0226","0.0222","","","0.0591","0.0594","","","","","","1.147","","","","has coordinates","278555","2022-10-12","22:57:03",""
"7711468","60.979","0.007","64.13","0.007","23.452","0.003","90","","95.388","0.006","90","","91306","19","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C212 H305 N29 O14 P8 Pt4 -","- C146 H176 N14 O8 P8 Pt4 -","- C2336 H2816 N224 O128 P128 Pt64 -","16","2","","Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming","cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT02197H","","x-ray","1.34139","GaKα","","0.2721","0.1571","","","0.351","0.4072","","","","","","1.159","","","","has coordinates,has disorder","278556","2022-10-12","22:59:15",""
"7711469","53.469","0.013","26.692","0.006","37.842","0.01","90","","134.806","0.019","90","","38318","2","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C210 H291 N25 O13 P8 Pt4 -","- C154 H182 N12 O8 P8 Pt4 -","- C1232 H1456 N96 O64 P64 Pt32 -","8","1","","Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming","cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT02197H","","","0.71073","MoKα","","0.1494","0.0973","","","0.2944","0.344","","","","","","1.084","","","","has coordinates","278556","2022-10-12","22:59:15",""
"7711470","31.577","0.004","32.06","0.004","39.781","0.004","90","","93.216","0.007","90","","40209","8","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C210 H296 N28 O13 P8 Pt4 -","- C148 H178 N12 O8 P8 Pt4 -","- C1184 H1424 N96 O64 P64 Pt32 -","8","1","","Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming","cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation","Dalton Transactions","2022","","","","","10.1039/D2DT02197H","","","0.71073","MoKα","","0.1491","0.1157","","","0.3025","0.3238","","","","","","1.188","","","","has coordinates,has disorder","278556","2022-10-12","22:59:15",""
"7711471","19.4122","0.0003","27.6488","0.0003","23.3343","0.0003","90","","92.932","0.001","90","","12507.7","0.3","104","6","104.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C60.5 H87.5 N4 O6 Tb -","- C60.5 H87.5 N4 O6 Tb -","- C484 H700 N32 O48 Tb8 -","8","1","","Nazarov, Dmitry I.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Crystalline paramagnetic supramolecular 2D-polymer of tetra(4-pyridyl)porphyrin and terbium(III) complex","Dalton Transactions","2022","","","","","10.1039/D2DT03170A","","","0.71073","MoKα","","0.0749","0.0664","","","0.1607","0.1655","","","","","","1.192","","","","has coordinates,has disorder","278571","2022-10-13","22:56:24",""
"7711472","8.0352","0.0016","17.307","0.004","15.532","0.003","90","","104.09","0.03","90","","2095","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Mn O9 -","- C23 H22 Mn O9 -","- C92 H88 Mn4 O36 -","4","1","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.2059","0.0792","","","0.1385","0.1787","","","","","","1.012","","","","has coordinates","278572","2022-10-13","22:58:09",""
"7711473","5.0191","0.0013","12.438","0.004","15.964","0.004","90","","98.678","0.007","90","","985.2","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Mn O8 -","- C22 H18 Mn O8 -","- C44 H36 Mn2 O16 -","2","0.5","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.0874","0.046","","","0.0823","0.0936","","","","","","1.042","","","","has coordinates","278572","2022-10-13","22:58:11",""
"7711474","17.988","0.003","18.798","0.003","6.7722","0.0009","90","","101.468","0.005","90","","2244.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Na2 O11 -","- C22 H24 Na2 O11 -","- C88 H96 Na8 O44 -","4","0.5","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.2279","0.096","","","0.1565","0.1977","","","","","","1.017","","","","has coordinates","278572","2022-10-13","22:58:11",""
"7711475","33.7912","0.0009","13.3987","0.0003","18.5028","0.0005","90","","96.34","0.0008","90","","8326.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Mn O9 -","- C22 H20 Mn O9 -","- C352 H320 Mn16 O144 -","16","2","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.0934","0.0615","","","0.1269","0.1401","","","","","","1.074","","","","has coordinates,has disorder","278572","2022-10-13","22:58:11",""
"7711476","19.133","0.003","12.8402","0.0019","21.624","0.003","90","","94.062","0.011","90","","5299.1","1.4","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H56 Ni4 O24 -","- C48 H56 Ni4 O24 -","- C192 H224 Ni16 O96 -","4","0.5","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.1882","0.0991","","","0.1951","0.2334","","","","","","1.109","","","","has coordinates","278572","2022-10-13","22:58:11",""
"7711477","15.2867","0.0003","14.7719","0.0002","25.4469","0.0004","90","","107.502","0.002","90","","5480.24","0.17","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 N4 O V -","- C54 H78 N4 O V -","- C216 H312 N16 O4 V4 -","4","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.0461","0.0388","","","0.1132","0.1218","","","","","","0.8625","","","","has coordinates","278573","2022-10-13","23:00:25",""
"7711478","12.2223","0.0008","16.0549","0.0009","12.3894","0.0009","90","","107.628","0.007","90","","2317","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H70 Fe N4 -","- C50 H70 Fe N4 -","- C100 H140 Fe2 N8 -","2","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.073","0.0674","","","0.1686","0.1759","","","","","","1.034","","","","has coordinates","278573","2022-10-13","23:00:26",""
"7711479","9.479","0.005","12.62","0.005","15.96","0.005","108.573","0.005","92.537","0.005","107.338","0.005","1707","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N4 O2 V -","- C38 H46 N4 O2 V -","- C76 H92 N8 O4 V2 -","2","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.0462","0.0376","","","0.0867","0.0926","","","","","","1.039","","","","has coordinates","278573","2022-10-13","23:00:26",""
"7711480","15.3254","0.0004","48.4643","0.0015","15.4889","0.0002","90","","90.021","0.002","90","","11504.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C229 H324 N16 O20 V4 -","- C229 H324 N16 O20 V4 -","- C458 H648 N32 O40 V8 -","2","0.5","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.093","0.0723","","","0.1644","0.1759","","","","","","1.109","","","","has coordinates,has disorder","278573","2022-10-13","23:00:26",""
"7711481","14.00932","0.00015","64.6462","0.0008","25.1469","0.0003","90","","92.0129","0.0011","90","","22760.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C221 H304 Fe4 N16 O14 -","- C221 H304 Fe4 N16 O14 -","- C884 H1216 Fe16 N64 O56 -","4","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.0965","0.0755","","","0.1411","0.149","","","","","","1.072","","","","has coordinates,has disorder","278573","2022-10-13","23:00:26",""
"7711482","21.55","0.005","29.745","0.005","22.858","0.005","90","0.005","92.43","0.005","90","0.005","14639","5","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C141 H204 Fe2 N10 O8 -","- C141 H204 Fe2 N10 O8 -","- C564 H816 Fe8 N40 O32 -","4","1","","Korona, Krzesimir; Kornowicz, Arkadiusz; Justyniak, Iwona; Terlecki, Michał; Blachowski, Artur; Lewinski, Janusz","Non-redox reactivity of V(II) and Fe(II) formamidinates towards CO2 resulting in the formation of novel M(II) carbamates","Dalton Transactions","2022","","","","","10.1039/D2DT02274E","","","0.71073","MoKα","","0.0736","0.0516","","","0.1198","0.1356","","","","","","1.0676","","","","has coordinates","278573","2022-10-13","23:00:26",""
"7711483","6.02703","0.00015","13.2413","0.0004","12.7941","0.0004","90","","91.236","0.002","90","","1020.8","0.05","130","1","130","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 -","- C26 H24 N4 -","- C52 H48 N8 -","2","0.5","","Szymańska, Martyna; Kubicki, Maciej; Roviello, Giovanni N.; Consiglio, Giuseppe; Fik-Jaskółka, Marta A.; Patroniak, Violetta","New Cu(i) square grid-type and Ni(ii) triangle-type complexes: synthesis and characterization of effective binders of DNA and serum albumins","Dalton Transactions","2022","","","","","10.1039/D2DT02271K","","x-ray","1.54184","CuKα","","0.0504","0.0393","","","0.1002","0.1121","","","","","","1.05","","","","has coordinates","278574","2022-10-13","23:02:19",""
"7711484","12.9065","0.0004","16.5279","0.0005","16.7055","0.0004","89.181","0.002","76.218","0.002","82.422","0.002","3430.2","0.17","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C130 H130 Cu4 F24 N22 P4 -","- C130 H130 Cu4 F24 N22 P4 -","- C130 H130 Cu4 F24 N22 P4 -","1","0.5","","Szymańska, Martyna; Kubicki, Maciej; Roviello, Giovanni N.; Consiglio, Giuseppe; Fik-Jaskółka, Marta A.; Patroniak, Violetta","New Cu(i) square grid-type and Ni(ii) triangle-type complexes: synthesis and characterization of effective binders of DNA and serum albumins","Dalton Transactions","2022","","","","","10.1039/D2DT02271K","","x-ray","1.54184","CuKα","","0.0667","0.0554","","","0.1541","0.163","","","","","","1.022","","","","has coordinates,has disorder","278574","2022-10-13","23:02:19",""
"7711485","18.3597","0.0007","18.499","0.0007","21.3107","0.0008","112.743","0.004","91.517","0.003","117.701","0.004","5718.5","0.5","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C177 H194 Cl11 F6 N34 Ni6 O53 P -","- C177 H194 Cl11 F6 N34 Ni6 O53 P -","- C177 H194 Cl11 F6 N34 Ni6 O53 P -","1","0.5","","Szymańska, Martyna; Kubicki, Maciej; Roviello, Giovanni N.; Consiglio, Giuseppe; Fik-Jaskółka, Marta A.; Patroniak, Violetta","New Cu(i) square grid-type and Ni(ii) triangle-type complexes: synthesis and characterization of effective binders of DNA and serum albumins","Dalton Transactions","2022","","","","","10.1039/D2DT02271K","","x-ray","0.71073","MoKα","","0.1168","0.0818","","","0.2296","0.2482","","","","","","1.104","","","","has coordinates,has disorder","278574","2022-10-13","23:02:19",""
"7711486","13.4993","0.0004","15.0232","0.0004","15.4663","0.0005","90","","90.154","0.002","90","","3136.6","0.16","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Co N4 O2 -","- C34 H42 Co N4 O2 -","- C136 H168 Co4 N16 O8 -","4","1","","Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.","Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base","Dalton Transactions","2022","","","","","10.1039/D2DT02874C","","x-ray","0.71073","MoKα","","0.0825","0.0616","","","0.1376","0.1472","","","","","","1.123","","","","has coordinates","278575","2022-10-13","23:03:50",""
"7711487","8.7477","0.0002","10.1501","0.0003","19.8757","0.0006","90.741","0.003","95.833","0.002","101.638","0.003","1718.52","0.08","85","1","85","1","","","","","","","","7","P -1","-P 1","2","","","","- C34.53 H42 Co F6 N4 O2.53 P -","- C34.488 H42 Co F6 N4 O2.4885 P -","- C68.976 H84 Co2 F12 N8 O4.977 P2 -","2","1","","Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.","Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base","Dalton Transactions","2022","","","","","10.1039/D2DT02874C","","x-ray","0.71073","MoKα","","0.0891","0.0685","","","0.1696","0.1842","","","","","","1.065","","","","has coordinates","278575","2022-10-13","23:03:54",""
"7711488","10.9948","0.0003","11.5726","0.0004","14.2748","0.0004","93.787","0.003","90.104","0.003","111.805","0.003","1681.99","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34.51 H41.03 Co N4 O2.17 -","- C34.513 H41.026 Co N4 O2.171 -","- C69.026 H82.052 Co2 N8 O4.342 -","2","1","","Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.","Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base","Dalton Transactions","2022","","","","","10.1039/D2DT02874C","","","0.7107","MoKα","","0.0734","0.0548","","","0.1395","0.1539","","","","","","1.04","","","","has coordinates","278575","2022-10-13","23:04:13",""
"7711490","15.2084","0.0007","19.1822","0.0007","37.2725","0.0014","90","","90","","90","","10873.5","0.8","240","1","240","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H70 B Co N4 O5 -","- C61 H70 B Co N4 O5 -","- C488 H560 B8 Co8 N32 O40 -","8","1","","Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.","Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base","Dalton Transactions","2022","","","","","10.1039/D2DT02874C","","x-ray","0.71073","MoKα","","0.1861","0.1062","","","0.2889","0.3434","","","","","","1.082","","","","has coordinates,has disorder","278575","2022-10-13","23:04:38",""
"7711491","17.2123","0.0005","25.8184","0.0006","27.5581","0.0008","90","","90","","90","","12246.7","0.6","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H116 B2 Cl8 Dy2 F4 N12 -","- C136 H116 B2 Cl8 Dy2 F4 N12 -","- C544 H464 B8 Cl32 Dy8 F16 N48 -","4","1","","Liu, Xiaodong; Zhao, Chen; Wu, Jinjiang; Zhu, Zhenhua; Tang, Jinkui","Air-stable chiral double-decker Dy(III) macrocycle with fluoride ion as sole axial ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02902B","","","0.71073","MoKα","","0.0877","0.0544","","","0.1173","0.1403","","","","","","1.065","","","","has coordinates,has disorder","278597","2022-10-14","22:59:36",""
"7711492","17.2406","0.0006","25.9357","0.001","27.55","0.0012","90","","90","","90","","12318.9","0.8","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C135 H114 B2 Cl6 Dy2 F4 N12 -","- C135 H114 B2 Cl6 Dy2 F4 N12 -","- C540 H456 B8 Cl24 Dy8 F16 N48 -","4","1","","Liu, Xiaodong; Zhao, Chen; Wu, Jinjiang; Zhu, Zhenhua; Tang, Jinkui","Air-stable chiral double-decker Dy(III) macrocycle with fluoride ion as sole axial ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02902B","","","0.71073","MoKα","","0.0782","0.05","","","0.1071","0.1244","","","","","","1.057","","","","has coordinates,has disorder","278597","2022-10-14","22:59:36",""
"7711493","11.1342","0.0004","11.1512","0.0004","15.5072","0.0006","84.288","0.001","87.779","0.001","86.161","0.001","1910.51","0.12","301","2","301.35","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cu2 N2 O10 S2 -","- C22 H16 Cu2 N2 O10 S2 -","- C44 H32 Cu4 N4 O20 S4 -","2","1","","Wu, Xiaoqin; Yang, Ze-yu; Sang, Xiao-jie; Tian, Xinxin; Wei, Xuehong","Aromatic Amine Electrochemical Sensor based on Co-MOF: Hydrogen Bond Induced Specific Response","Dalton Transactions","2022","","","","","10.1039/D2DT02049A","","","0.71073","MoKα","","0.0513","0.0463","","","0.1494","0.1528","","","","","","1.062","","","","has coordinates","278616","2022-10-17","22:55:56",""
"7711494","15.451","0.0005","22.6406","0.0007","22.8857","0.0008","90","","95.903","0.002","90","","7963.4","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73.35 H61.4 Cl4 Fe2 N18 O27.35 -","- C73 H60 Cl4 Fe2 N18 O27 -","- C292 H240 Cl16 Fe8 N72 O108 -","4","1","","Athira, S.; Mondal, Dibya Jyoti; Shome, Shraoshee; Dey, Bijoy; Konar, Sanjit","Effect of Intermolecular Anionic Interactions on Spin Crossover of Two Triple-Stranded Dinuclear Fe(II) Complexes Showing Above Room Temperature Spin Transition","Dalton Transactions","2022","","","","","10.1039/D2DT02115C","","","0.71073","MoKα","","0.1792","0.1142","","","0.2893","0.3357","","","","","","1.032","","","","has coordinates,has disorder","278617","2022-10-17","22:57:06",""
"7711495","33.68","0.003","14.0309","0.0012","39.333","0.004","90","","109.649","0.002","90","","17505","3","120","2","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H65 F12 Fe2 N18 O22 S4 -","- C76 H60 F12 Fe2 N18 O20.5 S4 -","- C608 H480 F96 Fe16 N144 O164 S32 -","8","1","","Athira, S.; Mondal, Dibya Jyoti; Shome, Shraoshee; Dey, Bijoy; Konar, Sanjit","Effect of Intermolecular Anionic Interactions on Spin Crossover of Two Triple-Stranded Dinuclear Fe(II) Complexes Showing Above Room Temperature Spin Transition","Dalton Transactions","2022","","","","","10.1039/D2DT02115C","","","0.71073","MoKα","","0.1847","0.1215","","","0.3102","0.361","","","","","","1.023","","","","has coordinates","278617","2022-10-17","22:57:06",""
"7711496","5.08543","0.00017","13.1667","0.0006","37.3599","0.0014","90","","90","","90","","2501.56","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1?[Cu2(R-salmet)2]","1?[Cu2(R-salmet)2]","","- C24 H26 Cu2 N2 O6 S2 -","- C24 H26 Cu2 N2 O6 S2 -","- C96 H104 Cu8 N8 O24 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0719","0.0557","","","0.1341","0.145","","","","","","1.027","","","","has coordinates","278619","2022-10-17","22:58:23",""
"7711497","5.0681","0.00012","13.2698","0.0004","37.6991","0.001","90","","90","","90","","2535.37","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1?[Cu2(R-salmet)2(H2O)]","1?[Cu2(R-salmet)2(H2O)]","","- C24 H28 Cu2 N2 O7 S2 -","- C24 H28 Cu2 N2 O7 S2 -","- C96 H112 Cu8 N8 O28 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","x-ray","0.71073","MoKα","","0.0289","0.0261","","","0.0593","0.0609","","","","","","1.051","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711498","11.0609","0.0006","5.5831","0.0003","12.5961","0.0006","90","","100.181","0.005","90","","765.61","0.07","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H17 Cu N O4 S -","- C14 H17 Cu N O4 S -","- C28 H34 Cu2 N2 O8 S2 -","2","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0384","0.0342","","","0.0885","0.0922","","","","","","1.065","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711499","11.16","0.002","5.6142","0.0006","12.674","0.002","90","","100.347","0.015","90","","781.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","1?[Cu(S-3-HOMe-5-Me-salmet)]","","","- C14 H17 Cu N O4 S -","- C14 H17 Cu N O4 S -","- C28 H34 Cu2 N2 O8 S2 -","2","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0564","0.0396","","","0.0876","0.0951","","","","","","0.986","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711500","5.0896","0.0002","13.1708","0.0006","37.3827","0.0019","90","","90","","90","","2505.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cu2 N2 O6 S2 -","- C24 H26 Cu2 N2 O6 S2 -","- C96 H104 Cu8 N8 O24 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0606","0.0388","","","0.0782","0.0851","","","","","","1.026","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711501","12.7","0.003","24.985","0.005","26.286","0.005","101.213","0.006","99.668","0.005","98.737","0.006","7917","3","150","","150","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C118 H70 Cd2 Dy2 F60 N16 O20 S12 -","- C118 H70 Cd2 Dy2 F60 N16 O20 S12 -","- C236 H140 Cd4 Dy4 F120 N32 O40 S24 -","2","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.2469","0.1609","","","0.418","0.4534","","","","","","1.372","","","","has coordinates","278620","2022-10-17","23:03:26",""
"7711502","9.7341","0.0018","13.82","0.003","15.588","0.003","113.594","0.006","107.762","0.006","93.416","0.006","1790","0.6","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C31 H31 Cu F6 N O3 S6 -","- C31 H32 Cu F6 N3 O3 S6 -","- C62 H64 Cu2 F12 N6 O6 S12 -","2","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.1258","0.0707","","","0.1821","0.2126","","","","","","1.028","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711503","12.813","0.002","17.119","0.003","19.788","0.004","86.381","0.006","89.219","0.006","76.672","0.006","4215.1","1.3","150","","150","","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C61 H39 Cl4 Dy F30 Mn N8 O10 S6 -","- C61 H39 Cl4 Dy F30 Mn N8 O10 S6 -","- C122 H78 Cl8 Dy2 F60 Mn2 N16 O20 S12 -","2","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.1908","0.1441","","","0.3569","0.3908","","","","","","1.109","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711504","22.44","0.002","12.6945","0.0012","33.791","0.003","90","","100.983","0.003","90","","9449.5","1.5","150","","150","","","","","","","","synthesis as described","9","P 1 21/n 1","-P 2yn","14","","","","- C72 H54 Cl4 Dy1.21 F36 N8 Nd0.79 O12 S6 -","- C72 H54 Cl4 Dy1.21 F36 N8 Nd0.79 O12 S6 -","- C288 H216 Cl16 Dy4.84 F144 N32 Nd3.16 O48 S24 -","4","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.1335","0.1161","","","0.2713","0.2795","","","","","","1.148","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711505","22.811","0.004","12.634","0.002","31.848","0.006","90","","103.311","0.005","90","","8932","3","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 F36 N8 Nd2 O12 S6 -","- C70 H50 F36 N8 Nd2 O12 S6 -","- C280 H200 F144 N32 Nd8 O48 S24 -","4","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.3731","0.1399","","","0.2268","0.3117","","","","","","1.038","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711506","42.278","0.014","11.697","0.004","50.539","0.017","90","","92.934","0.004","90","","24960","15","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C405 H294 Cl2 F144 N64 O48 Pr8 S48 -","- C405 H294 Cl2 F144 N64 O48 Pr8 S48 -","- C810 H588 Cl4 F288 N128 O96 Pr16 S96 -","2","0.25","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","","0.71073","MoKα","","0.2908","0.1259","","","0.2758","0.3487","","","","","","1.02","","","","has coordinates,has disorder","278620","2022-10-17","23:03:30",""
"7711507","10.17","0.002","16.139","0.003","30.871","0.006","97.354","0.006","91.253","0.006","99.875","0.006","4945.9","1.7","150","","150","","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C73 H45 Dy1.11 F27 N8 Nd0.89 O12 S9 -","- C73 H45 Dy1.11 F27 N8 Nd0.89 O12 S9 -","- C146 H90 Dy2.22 F54 N16 Nd1.78 O24 S18 -","2","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.1953","0.1417","","","0.3555","0.3782","","","","","","1.024","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711508","22.487","0.005","12.711","0.002","33.458","0.007","90","","100.768","0.007","90","","9395","3","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H36 F36 N8 O12 Pr S6 Yb -","- C64 H36 F36 N8 O12 Pr S6 Yb -","- C256 H144 F144 N32 O48 Pr4 S24 Yb4 -","4","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.2539","0.2085","","","0.5164","0.5314","","","","","","1.911","","","","has coordinates,has disorder","278620","2022-10-17","23:03:30",""
"7711509","22.2669","0.0016","12.6525","0.0009","33.194","0.002","90","","99.92","0.002","90","","9212","1.1","150","","150","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H36 F36 N8 Nd0.96 O12 S6 Yb1.04 -","- C64 H36 F36 N8 Nd0.96 O12 S6 Yb1.04 -","- C256 H144 F144 N32 Nd3.84 O48 S24 Yb4.16 -","4","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.1929","0.1365","","","0.4015","0.4374","","","","","","1.521","","","","has coordinates,has disorder","278620","2022-10-17","23:03:30",""
"7711510","12.64","0.004","26.082","0.008","26.38","0.008","101.645","0.008","90.606","0.009","100.406","0.009","8368","4","150","","150","","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C119 H72 Cl2 F60 N16 O21 S12 Yb2 Zn2 -","- C119 H72 Cl2 F60 N16 O21 S12 Yb2 Zn2 -","- C238 H144 Cl4 F120 N32 O42 S24 Yb4 Zn4 -","2","1","","Douib, Haiet; Flores Gonzalez, Jessica; Speed, Saskia; Montigaud, Vincent; Lefeuvre, Bertrand; Dorcet, Vincent; Riobé, François; Maury, Olivier; Gouasmia, Abdelkrim; Le Guennic, Boris; Cador, Olivier; Pointillart, Fabrice","Modulation of the magnetic and photophysical properties in 3d–4f and 4f–4f′ heterobimetallic complexes involving a tetrathiafulvalene-based ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02375J","","x-ray","0.71073","MoKα","","0.2264","0.119","","","0.2754","0.3326","","","","","","0.965","","","","has coordinates","278620","2022-10-17","23:03:30",""
"7711511","15.1241","0.0012","10.3724","0.0008","20.8748","0.0016","90","","101.162","0.003","90","","3212.8","0.4","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 Au4 B2 Cl2 F8 N4 P4 -","- C66 H60 Au4 B2 Cl2 F8 N4 P4 -","- C132 H120 Au8 B4 Cl4 F16 N8 P8 -","2","0.5","","Casciotti, Martina; Romo, Guillermo; Alvarez, Maria; Molina, Francisco; Muñoz-Molina, José M; Belderrain, Tomás R. R.; Rodriguez, Laura","Gold(I) Complexes Bearing a PNP-Type Pincer Ligand: Photophysi-cal Properties and Catalytic Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT02429B","","x-ray","0.71073","MoKα","","0.0724","0.0596","","","0.1272","0.1329","","","","","","1.126","","","","has coordinates","278621","2022-10-17","23:06:47",""
"7711512","15.7361","0.0004","12.8876","0.0003","16.5348","0.0004","90","","90.411","0.001","90","","3353.18","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Au2 Br2 Cl2 N P2 -","- C32 H29 Au2 Br2 Cl2 N P2 -","- C128 H116 Au8 Br8 Cl8 N4 P8 -","4","1","","Casciotti, Martina; Romo, Guillermo; Alvarez, Maria; Molina, Francisco; Muñoz-Molina, José M; Belderrain, Tomás R. R.; Rodriguez, Laura","Gold(I) Complexes Bearing a PNP-Type Pincer Ligand: Photophysi-cal Properties and Catalytic Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT02429B","","x-ray","0.71073","MoKα","","0.0382","0.0289","","","0.0691","0.0732","","","","","","1.051","","","","has coordinates","278621","2022-10-17","23:06:48",""
"7711513","8.9762","0.0004","12.4423","0.0005","14.4881","0.0007","90.049","0.002","95.592","0.002","107.456","0.002","1535.46","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H28 Au2 Cl3 N P2 -","- C31.5 H28 Au2 Cl3 N P2 -","- C63 H56 Au4 Cl6 N2 P4 -","2","1","","Casciotti, Martina; Romo, Guillermo; Alvarez, Maria; Molina, Francisco; Muñoz-Molina, José M; Belderrain, Tomás R. R.; Rodriguez, Laura","Gold(I) Complexes Bearing a PNP-Type Pincer Ligand: Photophysi-cal Properties and Catalytic Investigations","Dalton Transactions","2022","","","","","10.1039/D2DT02429B","","x-ray","0.71073","MoKα","","0.0239","0.0177","","","0.0355","0.0369","","","","","","1.094","","","","has coordinates,has disorder","278621","2022-10-17","23:06:48",""
"7711514","9.332","0.003","10.61","0.003","17.742","0.005","90","","95.085","0.005","90","","1749.8","0.9","93","2","93","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H56 Li2 O5 Si -","- C36 H56 Li2 O5 Si -","- C72 H112 Li4 O10 Si2 -","2","1","","Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya","Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity","Dalton Transactions","2022","","","","","10.1039/D2DT02649J","","","0.71075","MoKα","","0.0638","0.0515","","","0.118","0.128","","","","","","1.038","","","","has coordinates","278632","2022-10-18","22:55:29",""
"7711515","15.249","0.004","15.249","0.004","44.207","0.011","90","","90","","120","","8902","4","93","2","93","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C60 H78 Li10 O5 Si3 -","- C60 H78 Li10 O5 Si3 -","- C360 H468 Li60 O30 Si18 -","6","0.333333","","Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya","Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity","Dalton Transactions","2022","","","","","10.1039/D2DT02649J","","","0.71075","MoKα","","0.0641","0.0513","","","0.1179","0.134","","","","","","1.066","","","","has coordinates","278632","2022-10-18","22:55:29",""
"7711516","11.117","0.006","15.204","0.008","19.765","0.01","85.97","0.02","79.66","0.02","79.45","0.02","3229","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H85 Li10 O6 Si3 -","- C68 H85 Li10 O6 Si3 -","- C136 H170 Li20 O12 Si6 -","2","1","","Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya","Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity","Dalton Transactions","2022","","","","","10.1039/D2DT02649J","","","0.71075","MoKα","","0.0936","0.0611","","","0.1551","0.1887","","","","","","1.025","","","","has coordinates","278632","2022-10-18","22:55:29",""
"7711517","8.4596","0.0005","9.9394","0.0008","13.2717","0.0009","68.331","0.007","78.34","0.005","86.54","0.006","1015.54","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[Cu(ipy)2(ClO4)2]","","- C16 H14 Cl2 Cu N6 O8 -","- C16 H14 Cl2 Cu N6 O7.9999 -","- C32 H28 Cl4 Cu2 N12 O15.9998 -","2","1","","Cai, Dai-Hong; Chen, Bai-Hua; Liu, Qi-Yan; Le, Xue-Yi; He, Liang","Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(ii) complexes containing 2-(1H-imidazol-2-yl)pyridine and amino acids","Dalton Transactions","2022","","","","","10.1039/D2DT02985E","","x-ray","1.54184","CuKα","","0.0596","0.0497","","","0.1357","0.1487","","","","","","1.037","","","","has coordinates,has disorder","278675","2022-10-20","22:54:51",""
"7711518","12.366","0.0002","15.6213","0.0003","21.2384","0.0004","90","","90","","90","","4102.69","0.13","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Cu2 N8 O15 -","- C34 H38 Cl2 Cu2 N8 O15 -","- C136 H152 Cl8 Cu8 N32 O60 -","4","1","","Cai, Dai-Hong; Chen, Bai-Hua; Liu, Qi-Yan; Le, Xue-Yi; He, Liang","Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(ii) complexes containing 2-(1H-imidazol-2-yl)pyridine and amino acids","Dalton Transactions","2022","","","","","10.1039/D2DT02985E","","x-ray","1.54184","CuKα","","0.0592","0.0573","","","0.1596","0.1623","","","","","","1.053","","","","has coordinates","278675","2022-10-20","22:54:52",""
"7711519","7.81416","0.00006","11.08865","0.0001","20.48225","0.00014","90","","90","","90","","1774.76","0.02","149.98","0.1","149.98","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl Cu N4 O7 -","- C13 H19 Cl Cu N4 O7 -","- C52 H76 Cl4 Cu4 N16 O28 -","4","1","","Cai, Dai-Hong; Chen, Bai-Hua; Liu, Qi-Yan; Le, Xue-Yi; He, Liang","Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(ii) complexes containing 2-(1H-imidazol-2-yl)pyridine and amino acids","Dalton Transactions","2022","","","","","10.1039/D2DT02985E","","x-ray","1.54184","CuKα","","0.0197","0.0196","","","0.0534","0.0535","","","","","","1.111","","","","has coordinates,has disorder","278675","2022-10-20","22:54:53",""
"7711520","9.7635","0.0004","10.1639","0.0005","19.2737","0.0008","98.159","0.001","104.184","0.001","96.323","0.001","1814.51","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Cl4 N7 O2 P Ru -","- C34 H36 Cl4 N7 O2 P Ru -","- C68 H72 Cl8 N14 O4 P2 Ru2 -","2","1","","Gobbo, Alberto; Pereira, Sarah; Biancalana, Lorenzo; Zacchini, Stefano; Saraiva, M. Lúcia M.F.S.; Dyson, Paul Joseph; Marchetti, Fabio","Anticancer Ruthenium(II) Tris(pyrazolyl)methane Complexes with Bioactive Co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT03009H","","","0.71073","MoKα","","0.0782","0.0541","","","0.1457","0.1553","","","","","","1.052","","","","has coordinates","278676","2022-10-20","22:55:48",""
"7711521","13.9551","0.0005","15.8845","0.0007","21.0285","0.0008","98.91","0.001","92.585","0.001","91.965","0.001","4596.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H35 Cl11 N7 O P Ru -","- C37 H35 Cl11 N7 O P Ru -","- C148 H140 Cl44 N28 O4 P4 Ru4 -","4","2","","Gobbo, Alberto; Pereira, Sarah; Biancalana, Lorenzo; Zacchini, Stefano; Saraiva, M. Lúcia M.F.S.; Dyson, Paul Joseph; Marchetti, Fabio","Anticancer Ruthenium(II) Tris(pyrazolyl)methane Complexes with Bioactive Co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT03009H","","","0.71073","MoKα","","0.0551","0.0503","","","0.1252","0.1278","","","","","","1.081","","","","has coordinates","278676","2022-10-20","22:55:48",""
"7711522","35.0101","0.0008","35.0101","0.0008","21.4586","0.0005","90","","90","","120","","22778.2","0.9","110","","110","","","","","","","","","7","P -3","-P 3","147","","","","- C137.62 H129.24 Cl3.24 I1.01 N P8 Pt4 -","- C137.62 H129.24 Cl3.24 I1.012 N P8 Pt4 -","- C825.72 H775.44 Cl19.44 I6.072 N6 P48 Pt24 -","6","1","","Collins, Brenna K.; Bhuvanesh, Nattamai; Gladysz, John A.","A new supramolecular bonding motif involving NH bonds of ammonium salts and macrocycles derived from platinum corners and butadiynediyl linkers","Dalton Transactions","2022","","","","","10.1039/D2DT02680E","","","0.71073","MoKα","","0.0732","0.0506","","","0.1286","0.1481","","","","","","1.049","","","","has coordinates,has disorder","278719","2022-10-21","22:29:34",""
"7711523","25.3077","0.0014","26.3723","0.0014","21.7373","0.0012","90","","90.009","0.003","90","","14508","1.4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C136 H130 Cl N O P8 Pt4 -","- C136 H130 Cl N O P8 Pt4 -","- C544 H520 Cl4 N4 O4 P32 Pt16 -","4","0.5","","Collins, Brenna K.; Bhuvanesh, Nattamai; Gladysz, John A.","A new supramolecular bonding motif involving NH bonds of ammonium salts and macrocycles derived from platinum corners and butadiynediyl linkers","Dalton Transactions","2022","","","","","10.1039/D2DT02680E","","","1.54178","CuKα","","0.064","0.0615","","","0.1677","0.1703","","","","","","1.052","","","","has coordinates,has disorder","278719","2022-10-21","22:29:35",""
"7711524","18.8201","0.0016","19.08","0.0015","26.635","0.002","79.217","0.003","76.791","0.003","71.491","0.003","8761.4","1.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C169.56 H174.39 Cl11.25 I N P8 Pt4.14 -","- C169.56 H174.39 Cl11.25 I N P8 Pt4.14 -","- C339.12 H348.78 Cl22.5 I2 N2 P16 Pt8.28 -","2","1","","Collins, Brenna K.; Bhuvanesh, Nattamai; Gladysz, John A.","A new supramolecular bonding motif involving NH bonds of ammonium salts and macrocycles derived from platinum corners and butadiynediyl linkers","Dalton Transactions","2022","","","","","10.1039/D2DT02680E","","","0.71073","MoKα","","0.0552","0.0398","","","0.1138","0.119","","","","","","1.109","","","","has coordinates","278719","2022-10-21","22:29:35",""
"7711525","10.1563","0.0004","13.5437","0.0008","15.3945","0.0006","88.728","0.004","82.586","0.003","87.645","0.004","2097.79","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co2 N8 O12 -","- C42 H30 Co2 N8 O9 -","- C84 H60 Co4 N16 O18 -","2","1","","Yang, Ming-Xing; Yan, Rong-Zhi; Chen, Lijuan; Lin, Shen","Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl) isophthalic acid and different bis(imidazole) ligands and one of their derivatives as an efficient electrocatalyst for ORR","Dalton Transactions","2022","","","","","10.1039/D2DT02383K","","","0.71073","MoKα","","0.08","0.0466","","","0.0993","0.115","","","","","","1.004","","","","has coordinates","278723","2022-10-22","22:49:08",""
"7711526","9.9453","0.001","18.0179","0.0018","7.1046","0.0014","90","","104.339","0.014","90","","1233.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Co N2 O5.5 -","- C12 H11 Co N2 O5.5 -","- C48 H44 Co4 N8 O22 -","4","1","","Yang, Ming-Xing; Yan, Rong-Zhi; Chen, Lijuan; Lin, Shen","Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl) isophthalic acid and different bis(imidazole) ligands and one of their derivatives as an efficient electrocatalyst for ORR","Dalton Transactions","2022","","","","","10.1039/D2DT02383K","","","0.71073","MoKα","","0.0734","0.0492","","","0.1063","0.1197","","","","","","1.024","","","","has coordinates,has disorder","278723","2022-10-22","22:49:09",""
"7711527","10.064","0.002","14.736","0.003","15.222","0.003","90","","129.134","0.01","90","","1751.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N8 O8 -","- C36 H26 Co2 N8 O8 -","- C72 H52 Co4 N16 O16 -","2","0.5","","Yang, Ming-Xing; Yan, Rong-Zhi; Chen, Lijuan; Lin, Shen","Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl) isophthalic acid and different bis(imidazole) ligands and one of their derivatives as an efficient electrocatalyst for ORR","Dalton Transactions","2022","","","","","10.1039/D2DT02383K","","","0.71073","MoKα","","0.038","0.0334","","","0.1009","0.1046","","","","","","1.016","","","","has coordinates","278723","2022-10-22","22:49:09",""
"7711528","10.1326","0.0002","12.8716","0.0003","14.319","0.0004","90","","91.03","0.002","90","","1867.22","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Co2 N8 O9.5 -","- C38 H33 Co2 N8 O9.5 -","- C76 H66 Co4 N16 O19 -","2","0.5","","Yang, Ming-Xing; Yan, Rong-Zhi; Chen, Lijuan; Lin, Shen","Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl) isophthalic acid and different bis(imidazole) ligands and one of their derivatives as an efficient electrocatalyst for ORR","Dalton Transactions","2022","","","","","10.1039/D2DT02383K","","","1.54184","CuKα","","0.0458","0.0376","","","0.0933","0.0984","","","","","","1.028","","","","has coordinates","278723","2022-10-22","22:49:09",""
"7711529","10.167","0.004","13.936","0.004","15.062","0.005","90","","109.315","0.005","90","","2014","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Co2 N8 O10 -","- C42 H34 Co2 N8 O10 -","- C84 H68 Co4 N16 O20 -","2","0.5","","Yang, Ming-Xing; Yan, Rong-Zhi; Chen, Lijuan; Lin, Shen","Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl) isophthalic acid and different bis(imidazole) ligands and one of their derivatives as an efficient electrocatalyst for ORR","Dalton Transactions","2022","","","","","10.1039/D2DT02383K","","","0.71073","MoKα","","0.0492","0.0396","","","0.0928","0.0986","","","","","","1.072","","","","has coordinates,has disorder","278723","2022-10-22","22:49:09",""
"7711530","11.695","0.002","18.914","0.004","13.28","0.003","90","","115.34","0.03","90","","2654.9","1.1","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H52.5 Ag Br F6 O0.75 P5 -","- C54 H52.5 Ag Br F6 O0.75 P5 -","- C108 H105 Ag2 Br2 F12 O1.5 P10 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0493","0.0416","","","0.1085","0.1141","","","","","","1.015","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711531","24.0323","0.0014","11.905","0.0005","39.489","0.002","90","","110.076","0.004","90","","10611.5","1","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 Cu F6 I P5 -","- C51 H45 Cu F6 I P5 -","- C408 H360 Cu8 F48 I8 P40 -","8","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","x-ray","0.71073","MoKα","","0.0625","0.0555","","","0.1652","0.1754","","","","","","1.042","","","","has coordinates,has disorder","278756","2022-10-24","23:09:09",""
"7711532","23.897","0.002","11.8212","0.0007","38.426","0.003","90","","105.849","0.006","90","","10442.4","1.4","170.15","","170.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52.39 H47.79 Br Cl2.79 Cu F6 P5 -","- C52.3936 H47.7872 Br Cl2.7872 Cu F6 P5 -","- C419.149 H382.298 Br8 Cl22.2976 Cu8 F48 P40 -","8","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.1338","0.088","","","0.2167","0.2577","","","","","","1.085","","","","has coordinates,has disorder","278756","2022-10-24","23:09:09",""
"7711533","11.7493","0.0004","18.1851","0.0004","13.2796","0.0004","90","","115.779","0.002","90","","2554.97","0.14","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H48 Cu F12 N P6 -","- C53 H48 Cu F12 N P6 -","- C106 H96 Cu2 F24 N2 P12 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0705","0.0667","","","0.1803","0.1864","","","","","","1.064","","","","has coordinates,has disorder","278756","2022-10-24","23:09:09",""
"7711534","11.8177","0.0009","18.8711","0.001","13.3208","0.001","90","","115.006","0.006","90","","2692.2","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53.5 H49 Ag Cl F6 O2 P5 -","- C53.5 H49 Ag Cl F6 O2 P5 -","- C107 H98 Ag2 Cl2 F12 O4 P10 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0499","0.0472","","","0.1337","0.1358","","","","","","1.122","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711535","11.571","0.002","18.782","0.004","13.122","0.003","90","","114.91","0.03","90","","2586.5","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H54 Ag Cl3 O3 P4 -","- C55 H54 Ag Cl3 O3 P4 -","- C110 H108 Ag2 Cl6 O6 P8 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.043","0.0354","","","0.0732","0.0748","","","","","","0.923","","","","has coordinates","278756","2022-10-24","23:09:09",""
"7711536","12.3098","0.0007","13.7462","0.0008","16.8265","0.001","87.104","0.005","79.167","0.005","64.063","0.004","2513.2","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H45 Ag F12 P6 -","- C51 H45 Ag F12 P6 -","- C102 H90 Ag2 F24 P12 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0411","0.0345","","","0.0915","0.0958","","","","","","1.04","","","","has coordinates,has disorder","278756","2022-10-24","23:09:10",""
"7711537","11.6318","0.0005","18.2132","0.0007","13.3823","0.0006","90","","115.452","0.001","90","","2559.92","0.19","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H48 Ag F12 N P6 -","- C53 H48 Ag F12 N P6 -","- C106 H96 Ag2 F24 N2 P12 -","2","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0348","0.0319","","","0.0779","0.0794","","","","","","1.061","","","","has coordinates","278756","2022-10-24","23:09:10",""
"7711538","24.0437","0.0014","11.8271","0.0005","40.075","0.002","90","","109.918","0.004","90","","10714.3","1","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H48 Ag Cl3 F6 I P5 -","- C51.5 H46 Ag Cl F6 I P5 -","- C412 H368 Ag8 Cl8 F48 I8 P40 -","8","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0553","0.0432","","","0.1084","0.1183","","","","","","1.058","","","","has coordinates,has disorder","278756","2022-10-24","23:09:10",""
"7711539","23.711","0.001","11.7151","0.0005","38.1889","0.0019","90","","105.715","0.001","90","","10211.5","0.8","100","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H48 Cl4 Cu F6 P5 -","- C52.5 H48 Cl4 Cu F6 P5 -","- C420 H384 Cl32 Cu8 F48 P40 -","8","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0862","0.0491","","","0.0899","0.1004","","","","","","1.036","","","","has coordinates,has disorder","278756","2022-10-24","23:09:10",""
"7711540","18.913","0.004","14.607","0.003","20.359","0.004","90","","95.42","0.03","90","","5599","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 Ag F12 O2 P6 -","- C55 H57 Ag F12 O2 P6 -","- C220 H228 Ag4 F48 O8 P24 -","4","1","","Maser, Leon; Vogt, Matthias; Langer, Robert","Cationic ligands between σ-donation and hydrogen-bridge-bond- stabilisation of ancillary ligands in coinage metal complexes with protonated carbodiphosphoranes","Dalton Transactions","2022","","","","","10.1039/D2DT02338E","","","0.71073","MoKα","","0.0621","0.04","","","0.0931","0.0974","","","","","","0.927","","","","has coordinates,has disorder","278756","2022-10-24","23:09:10",""
"7711541","15.4787","0.0006","22.7556","0.0009","17.7148","0.0007","90","","97.002","0.001","90","","6193.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 Cl2 Cu3 Mn N6 O24 -","- C56 H66 Cl2 Cu3 Mn N6 O24 -","- C224 H264 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0788","0.0479","","","0.1094","0.1309","","","","","","1.101","","","","has coordinates,has disorder","278757","2022-10-24","23:11:08",""
"7711542","9.8755","0.0013","14.787","0.002","16.663","0.002","73.292","0.005","83.822","0.005","70.888","0.005","2201.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H100 Cl2 Cu4 Mn2 N14 O28 -","- C82 H100 Cl2 Cu4 Mn2 N14 O28 -","- C82 H100 Cl2 Cu4 Mn2 N14 O28 -","1","0.5","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0561","0.049","","","0.1328","0.1396","","","","","","1.024","","","","has coordinates,has disorder","278757","2022-10-24","23:11:08",""
"7711543","12.35","0.0006","13.0272","0.0007","13.9308","0.0007","107.897","0.002","91.793","0.002","94.147","0.002","2123.85","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","- C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26 -","1","0.5","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0375","0.0334","","","0.0889","0.0927","","","","","","1.034","","","","has coordinates,has disorder","278757","2022-10-24","23:11:08",""
"7711544","8.0671","0.0004","21.2492","0.0009","14.0782","0.0007","90","","103.285","0.002","90","","2348.7","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cl Cu N2 Na O9 -","- C21 H26 Cl Cu N2 Na O9 -","- C84 H104 Cl4 Cu4 N8 Na4 O36 -","4","1","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0562","0.034","","","0.0718","0.0855","","","","","","1.086","","","","has coordinates","278757","2022-10-24","23:11:08",""
"7711545","12.2722","0.0006","14.5327","0.0007","17.2926","0.0008","101.148","0.002","100.531","0.002","111.062","0.002","2714.5","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","- C101 H128 Cl8 Cu4 Mn2 N8 O35 -","1","1","","Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert","Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.","Dalton Transactions","2022","","","","","10.1039/D2DT02807G","","","0.71073","MoKα","","0.0601","0.0481","","","0.1328","0.1453","","","","","","1.02","","","","has coordinates,has disorder","278757","2022-10-24","23:11:09",""
"7711546","8.7596","0.0007","16.71","0.0012","10.6881","0.0007","90","","94.805","0.006","90","","1559","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Au2 Cl2 P2 Ru -","- C34 H28 Au2 Cl2 P2 Ru -","- C68 H56 Au4 Cl4 P4 Ru2 -","2","0.5","","Gwinn, Reilly K.; Boggess, Anna E.; Winter, Elizabeth P.; Nataro, Chip","Synthesis of disubstituted furans catalysed by [(AuCl)2(μ-bis(phosphino)metallocene)] and Na[BArF24]","Dalton Transactions","2022","","","","","10.1039/D2DT02999E","","x-ray","0.71073","MoKα","","0.0317","0.0251","","","0.062","0.0636","","","","","","1.103","","","","has coordinates","278758","2022-10-24","23:12:09",""
"7711547","8.7482","0.0002","16.7111","0.0005","10.6925","0.0003","90","","94.88","0.002","90","","1557.49","0.07","100.01","0.1","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Au2 Cl2 Os P2 -","- C34 H28 Au2 Cl2 Os P2 -","- C68 H56 Au4 Cl4 Os2 P4 -","2","0.5","","Gwinn, Reilly K.; Boggess, Anna E.; Winter, Elizabeth P.; Nataro, Chip","Synthesis of disubstituted furans catalysed by [(AuCl)2(μ-bis(phosphino)metallocene)] and Na[BArF24]","Dalton Transactions","2022","","","","","10.1039/D2DT02999E","","","0.71073","MoKα","","0.0394","0.0321","","","0.0791","0.0814","","","","","","1.05","","","","has coordinates","278758","2022-10-24","23:12:09",""
"7711548","19.58205","0.00016","18.45363","0.00015","19.78771","0.00014","90","","92.1497","0.0007","90","","7145.45","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H160 Cl8 Dy8 N8 O60 -","- C68 H104 Cl8 Dy8 N8 O46 -","- C136 H208 Cl16 Dy16 N16 O92 -","2","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0684","0.0676","","","0.1757","0.1766","","","","","","1.098","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7711549","14.4006","0.0001","14.4006","0.0001","71.412","0.0005","90","","90","","90","","14809.2","0.18","100","0.1","100","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C107 H174 Dy6 N14 O68 -","- C96 H100 Dy6 N14 O42 -","- C384 H400 Dy24 N56 O168 -","4","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","x-ray","1.54184","CuKα","","0.0527","0.0449","","","0.1264","0.1311","","","","","","1.084","","","","has coordinates","278759","2022-10-24","23:14:34",""
"7711550","19.561","0.0001","18.4098","0.0001","19.7486","0.0001","90","","92.095","0.001","90","","7107","0.06","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C88 H184 Cl8 Dy8 N8 O66 -","- C64 H92 Cl8 Dy8 N8 O44 -","- C128 H184 Cl16 Dy16 N16 O88 -","2","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0454","0.0433","","","0.1159","0.1172","","","","","","1.074","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7711551","14.4146","0.0001","14.4146","0.0001","71.4632","0.0004","90","","90","","90","","14848.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C107 H168 Dy6 N14 O67 -","- C98 H118 Dy6 N14 O51 -","- C392 H472 Dy24 N56 O204 -","4","0.5","","Long, Bing-Fan; Li, Yun-Lan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Assembly of pinwheel/twist shaped chiral lanthanide clusters with rotor structures by annular/linear growth mechanism and their magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02653H","","","1.54184","CuKα","","0.0491","0.0411","","","0.1077","0.1122","","","","","","1.06","","","","has coordinates,has disorder","278759","2022-10-24","23:14:34",""
"7711552","20.3724","0.0017","10.6925","0.0009","15.743","0.0013","90","","95.85","0.002","90","","3411.5","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H48 Br4 N24 Ni2 O15 -","- C57 H48 Br4 N24 Ni2 O15 -","- C114 H96 Br8 N48 Ni4 O30 -","2","0.25","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0584","0.0376","","0.0659","0.0624","0.0624","","","","","","1","","","","has coordinates,has disorder","278785","2022-10-25","23:03:03",""
"7711553","7.802","0.004","14.426","0.009","13.723","0.008","90","","94.399","0.015","90","","1540","1.5","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 Cu F N5 -","- C14 H10 Cl2 Cu F N5 -","- C56 H40 Cl8 Cu4 F4 N20 -","4","1","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0767","0.0455","","0.0912","0.0772","0.0772","","","","","","1","","","","has coordinates","278785","2022-10-25","23:03:03",""
"7711554","10.384","0.0005","27.319","0.0015","12.0585","0.0007","90","","101.996","0.0019","90","","3346.1","0.3","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H44 F16 N22 O7 P2 Zn2 -","- C57 H44 F16 N22 O7 P2 Zn2 -","- C114 H88 F32 N44 O14 P4 Zn4 -","2","0.5","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0575","0.0419","","0.0884","0.085","0.085","","","","","","1","","","","has coordinates,has disorder","278785","2022-10-25","23:03:03",""
"7711555","11.961","0.004","8.17","0.003","20.759","0.008","90","","103.555","0.011","90","","1972.1","1.2","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 F Mn N5 O2 -","- C16 H18 Cl2 F Mn N5 O2 -","- C64 H72 Cl8 F4 Mn4 N20 O8 -","4","1","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0662","0.0414","","0.0721","0.0651","0.0651","","","","","","1","","","","has coordinates","278785","2022-10-25","23:03:03",""
"7711556","13.149","0.006","15.905","0.007","19.736","0.009","90","","97.53","0.02","90","","4092","3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cd F N7 O8 -","- C15 H16 Cd F N7 O8 -","- C120 H128 Cd8 F8 N56 O64 -","8","1","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0429","0.033","","0.0538","0.0515","0.0515","","","","","","1.0002","","","","has coordinates","278785","2022-10-25","23:03:04",""
"7711557","16.205","0.006","16.629","0.006","23.492","0.007","90","","104.765","0.01","90","","6121","4","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C113 H88 F8 N48 Ni4 O27 -","- C113 H88 F8 N48 Ni4 O27 -","- C226 H176 F16 N96 Ni8 O54 -","2","0.25","","Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George","Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies","Dalton Transactions","2022","","","","","10.1039/D2DT02622H","","","0.71073","MoKα","","0.0742","0.0516","","0.0825","0.0737","0.0737","","","","","","1","","","","has coordinates","278785","2022-10-25","23:03:04",""
"7711558","8.273","0.003","9.463","0.003","16.205","0.005","98.044","0.009","98.914","0.009","100.409","0.01","1214.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cu N4 O6 -","- C24 H28 Cu N4 O6 -","- C48 H56 Cu2 N8 O12 -","2","1","","Zhang, Xiao-Sa; Zhao, Hong-Tian; Liu, Yu; Li, Wenze; Luo, Nan; Luan, Jian","Ligand-induced synthesis of two Cu-based coordination polymers and derived carbon-coated metal oxide heterojunction for enhanced photocatalytic degradation","Dalton Transactions","2022","","","","","10.1039/D2DT03023C","","","0.71073","MoKα","","0.1207","0.0599","","","0.1374","0.1745","","","","","","1.002","","","","has coordinates","278824","2022-10-26","23:13:18",""
"7711559","8.4346","0.0007","8.6526","0.0008","11.0134","0.001","69.429","0.002","67.606","0.002","74.8","0.002","688.08","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N2 O5 -","- C13 H15 Cu N2 O5 -","- C26 H30 Cu2 N4 O10 -","2","1","","Zhang, Xiao-Sa; Zhao, Hong-Tian; Liu, Yu; Li, Wenze; Luo, Nan; Luan, Jian","Ligand-induced synthesis of two Cu-based coordination polymers and derived carbon-coated metal oxide heterojunction for enhanced photocatalytic degradation","Dalton Transactions","2022","","","","","10.1039/D2DT03023C","","","0.71073","MoKα","","0.0454","0.0354","","","0.08","0.0845","","","","","","1.043","","","","has coordinates","278824","2022-10-26","23:13:19",""
"7711560","21.951","0.0007","14.8413","0.0005","15.1618","0.0004","90","","90","","90","","4939.4","0.3","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H78 Li2 O4 P4 -","- C44 H78 Li2 O4 P4 -","- C176 H312 Li8 O16 P16 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.5418","CuKα","","0.093","0.0656","","0.1615","0.1339","0.1615","","","","","","0.9939","","","","has coordinates","278825","2022-10-26","23:15:53",""
"7711561","14.028","0.0002","12.626","0.0003","15.6016","0.0003","90","","90.8481","0.0016","90","","2763.01","0.09","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 O2 P2 Ti -","- C24 H45 O2 P2 Ti -","- C96 H180 O8 P8 Ti4 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0534","0.0421","","0.0571","0.0451","0.0571","","","","","","1.0364","","","","has coordinates","278825","2022-10-26","23:15:53",""
"7711562","11.9525","0.0003","13.0318","0.0002","15.1944","0.0004","90","","101.44","0.002","90","","2319.7","0.09","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 Cl6 O4 P4 Ti2 -","- C36 H62 Cl6 O4 P4 Ti2 -","- C72 H124 Cl12 O8 P8 Ti4 -","2","0.5","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0656","0.0576","","0.1729","0.1576","0.1729","","","","","","1.5275","","","","has coordinates","278825","2022-10-26","23:15:53",""
"7711563","9.8749","0.0002","10.5591","0.0003","13.2857","0.0003","90","","99.419","0.002","90","","1366.62","0.06","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H39 Cl3 O2 P2 Ti -","- C22 H39 Cl3 O2 P2 Ti -","- C44 H78 Cl6 O4 P4 Ti2 -","2","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0553","0.0504","","0.136","0.1278","0.136","","","","","","1.0055","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711564","15.4564","0.0002","12.727","0.0002","15.5888","0.0002","90","","97.7926","0.0014","90","","3038.21","0.07","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br O2 P2 Ti -","- C28 H44 Br O2 P2 Ti -","- C112 H176 Br4 O8 P8 Ti4 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.5418","CuKα","","0.0629","0.0458","","0.1124","0.0707","0.1124","","","","","","0.9051","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711565","17.16","0.0003","17.16","0.0003","21.1327","0.0005","90","","90","","90","","6222.9","0.2","173","","173","","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H50 Cl O2 P2 Ti -","- C27 H50 Cl O2 P2 Ti -","- C216 H400 Cl8 O16 P16 Ti8 -","8","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0626","0.0584","","0.1585","0.1539","0.1585","","","","","","0.9087","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711566","10.7943","0.0001","22.1846","0.0003","27.3239","0.0003","90","","91.8675","0.001","90","","6539.7","0.13","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H104 Cl2 O4 P4 Si2 Ti2 -","- C52 H104 Cl2 O4 P4 Si2 Ti2 -","- C208 H416 Cl8 O16 P16 Si8 Ti8 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.0898","0.0725","","0.1945","0.1755","0.1945","","","","","","0.9828","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711567","15.3936","0.0003","12.72","0.0003","15.5084","0.0004","90","","98.601","0.002","90","","3002.5","0.12","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl O2 P2 Ti -","- C28 H44 Cl O2 P2 Ti -","- C112 H176 Cl4 O8 P8 Ti4 -","4","1","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","0.71073","MoKα","","0.0636","0.0413","","0.1009","0.0909","0.0951","","","","","","1.0251","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711568","19.8638","0.001","29.354","0.002","19.5939","0.0011","90","","96.659","0.005","90","","11347.8","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29.33 H52 Cl1.33 O2.67 P2.67 Ti0.67 -","- C29.3333 H52 Cl1.33333 O2.66667 P2.66667 Ti0.666667 -","- C352 H624 Cl16 O32 P32 Ti8 -","12","3","","Webster, Leah; Krämer, Tobias; Chadwick, F. Mark","Synthesis and reactivity of titanium ‘POCOP’ pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03291K","","","1.54184","CuKα","","0.2724","0.1184","","0.4597","0.2662","0.4597","","","","","","1.4506","","","","has coordinates","278825","2022-10-26","23:15:54",""
"7711569","15.473","0.003","15.473","0.003","4.0041","0.0009","90","","90","","120","","830.2","0.3","100","2","100","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.89 Br2.85 S17.15 -","- Bi12.9 Br2.846 S17.154 -","- Bi12.9 Br2.846 S17.154 -","1","0.166667","","Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill","Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3","Dalton Transactions","2022","","","","","10.1039/D2DT02295H","","","0.71073","MoKα","","0.0671","0.0314","","","0.047","0.0499","","","","","","0.971","","","","has coordinates","278826","2022-10-26","23:16:59",""
"7711570","7.3212","0.0015","18.751","0.004","12.439","0.003","90","","93.11","0.03","90","","1705.1","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cd N2 O4 -","- C20 H14 Cd N2 O4 -","- C80 H56 Cd4 N8 O16 -","4","1","","Li, Ni-Ya; Guo, Xin-Yu; Liu, Lei-Lei; Ma, Jian; Liu, Dong","Topological structural transformation of a two-dimensional coordination polymer via single-crystal to single-crystal photoreaction","Dalton Transactions","2022","","","","","10.1039/D2DT03063B","","","0.71073","MoKα","","0.0366","0.0322","","","0.0753","0.0767","","","","","","1.194","","","","has coordinates","278827","2022-10-26","23:17:25",""
"7711571","7.4","0.0015","18.756","0.004","12.414","0.003","90","","93.36","0.03","90","","1720","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cd N2 O4 -","- C20 H14 Cd N2 O4 -","- C80 H56 Cd4 N8 O16 -","4","1","","Li, Ni-Ya; Guo, Xin-Yu; Liu, Lei-Lei; Ma, Jian; Liu, Dong","Topological structural transformation of a two-dimensional coordination polymer via single-crystal to single-crystal photoreaction","Dalton Transactions","2022","","","","","10.1039/D2DT03063B","","","0.71073","MoKα","","0.0455","0.0411","","","0.1054","0.1073","","","","","","1.187","","","","has coordinates","278827","2022-10-26","23:17:26",""
"7711572","11.35","0.001","11.5688","0.0011","18.8139","0.0018","74.292","0.004","86.768","0.003","77.513","0.003","2321.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","TMB-boratabenzene Cr(CO)3 complex","","","- C45 H62 B Cr K O9 Si -","- C45 H62 B Cr K O9 Si -","- C90 H124 B2 Cr2 K2 O18 Si2 -","2","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0521","0.0442","","","0.1259","0.1404","","","","","","1.145","","","","has coordinates,has disorder","278838","2022-10-27","22:51:24",""
"7711573","11.2735","0.0003","11.8132","0.0004","18.8859","0.0006","73.69","0.001","81.302","0.001","78.301","0.001","2351.86","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","TMB-boratabenzene Mo(CO)3 complex","","","- C45 H62 B K Mo O9 Si -","- C45 H62 B K Mo O9 Si -","- C90 H124 B2 K2 Mo2 O18 Si2 -","2","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0428","0.0356","","","0.0925","0.0992","","","","","","1.144","","","","has coordinates,has disorder","278838","2022-10-27","22:51:28",""
"7711574","14.3574","0.0003","32.393","0.0007","9.8045","0.0002","90","","102.31","0.0008","90","","4455.04","0.16","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","borataphenanthrene Mo(CO)3 complex","","","- C46 H48 B Cl2 K Mo O9 Si -","- C46 H48 B Cl2 K Mo O9 Si -","- C184 H192 B4 Cl8 K4 Mo4 O36 Si4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0194","0.019","","","0.0593","0.0596","","","","","","1.191","","","","has coordinates","278838","2022-10-27","22:51:28",""
"7711575","17.3967","0.0005","7.7875","0.0002","15.776","0.0004","90","","105.783","0.0009","90","","2056.7","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TMB-boratabenzene Rh(CO)2 complex","","","- C20 H26 B O2 Rh Si -","- C20 H26 B O2 Rh Si -","- C80 H104 B4 O8 Rh4 Si4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0203","0.0181","","","0.0448","0.046","","","","","","1.093","","","","has coordinates","278838","2022-10-27","22:51:29",""
"7711576","14.3661","0.0004","32.3267","0.0008","9.8108","0.0002","90","","102.329","0.001","90","","4451.14","0.19","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","borataphenanthrene W(CO)3 complex","","","- C46 H48 B Cl2 K O9 Si W -","- C46 H48 B Cl2 K O9 Si W -","- C184 H192 B4 Cl8 K4 O36 Si4 W4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0268","0.0248","","","0.0706","0.0714","","","","","","1.186","","","","has coordinates","278838","2022-10-27","22:51:30",""
"7711577","33.118","0.001","11.7793","0.0003","20.0868","0.0006","90","","108.163","0.001","90","","7445.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","TMB-boratabenzene W(CO)3 complex","","","- C66 H100 B2 K2 O18 Si2 W2 -","- C66 H100 B2 K2 O18 Si2 W2 -","- C264 H400 B8 K8 O72 Si8 W8 -","4","0.5","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0315","0.0248","","","0.0703","0.0847","","","","","","1.222","","","","has coordinates,has disorder","278838","2022-10-27","22:51:30",""
"7711578","12.3516","0.0009","13.2338","0.0009","13.6808","0.0009","90","","95.797","0.003","90","","2224.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","borataphenanthrene Rh(CO)2 complex","","","- C24 H22 B N O2 Rh Si -","- C24 H22 B O2 Rh Si -","- C96 H88 B4 O8 Rh4 Si4 -","4","1","","Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel","Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands","Dalton Transactions","2022","","","","","10.1039/D2DT02795J","","","0.71073","MoKα","","0.0668","0.0591","","","0.1468","0.1519","","","","","","1.215","","","","has coordinates","278838","2022-10-27","22:51:30",""
"7711579","9.705","0.00007","9.705","0.00007","58.1123","0.0007","90","","90","","120","","4740.12","0.07","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C22 H40 Ag N2 O8 Rb S4 -","- C22 H40 Ag N2 O8 Rb S4 -","- C132 H240 Ag6 N12 O48 Rb6 S24 -","6","0.5","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0287","0.0274","","","0.0672","0.0677","","","","","","1.125","","","","has coordinates","278839","2022-10-27","22:54:12",""
"7711580","19.5073","0.0004","19.5073","0.0004","8.9948","0.0002","90","","90","","90","","3422.83","0.13","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H92 Cu4 N8 O16 S8 -","- C52 H92 Cu4 N8 O16 S8 -","- C104 H184 Cu8 N16 O32 S16 -","2","0.25","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.019","0.0178","","","0.0414","0.0417","","","","","","1.046","","","","has coordinates","278839","2022-10-27","22:54:22",""
"7711581","10.046","0.0019","10.0552","0.0019","16.237","0.003","93.574","0.002","104.499","0.003","96.368","0.002","1571.2","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 Ag Li N2 O9 S4 -","- C22 H42 Ag Li N2 O9 S4 -","- C44 H84 Ag2 Li2 N4 O18 S8 -","2","1","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.1015","0.0925","","","0.2254","0.2316","","","","","","1.105","","","","has coordinates,has disorder","278839","2022-10-27","22:54:22",""
"7711582","16.7239","0.0016","21.489","0.003","8.2014","0.0009","90","","90","","90","","2947.4","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C11 H20 Ag N O4 S2 -","- C11 H20 Ag N O4 S2 -","- C88 H160 Ag8 N8 O32 S16 -","8","1","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0457","0.035","","","0.0812","0.0882","","","","","","1.047","","","","has coordinates","278839","2022-10-27","22:54:22",""
"7711583","9.656","0.002","9.656","0.002","57.87","0.02","90","","90","","120","","4673","2","173","2","173","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C22 H40 Ag K N2 O8 S4 -","- C22 H40 Ag K N2 O8 S4 -","- C132 H240 Ag6 K6 N12 O48 S24 -","6","0.5","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0666","0.0648","","","0.1479","0.1488","","","","","","1.336","","","","has coordinates,has disorder","278839","2022-10-27","22:54:22",""
"7711584","31.43","0.006","20.015","0.005","18.982","0.004","90","","95.95","0.02","90","","11877","5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Ag N2 Na O8 S4 -","- C22 H40 Ag N2 Na O8 S4 -","- C352 H640 Ag16 N32 Na16 O128 S64 -","16","2","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.1918","0.0728","","","0.1627","0.2123","","","","","","0.929","","","","has coordinates,has disorder","278839","2022-10-27","22:54:22",""
"7711585","13.0623","0.0009","13.8962","0.001","17.5548","0.0012","75.058","0.002","79.229","0.002","74.115","0.002","2937.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H160 Cu8 N8 O32 S16 -","- C88 H160 Cu8 N8 O32 S16 -","- C88 H160 Cu8 N8 O32 S16 -","1","0.5","","Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang","Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate","Dalton Transactions","2022","","","","","10.1039/D2DT02768B","","","0.71073","MoKα","","0.0934","0.0526","","","0.115","0.1371","","","","","","1.009","","","","has coordinates,has disorder","278839","2022-10-27","22:54:22",""
"7711586","14.65","0.02","14.65","0.02","20.72","0.03","90","","90","","90","","4447","11","","","298","","","","","","","","see text","6","I 4/m","-I 4","87","","","","- C24 H24 Cr N2 O22 Zr3 -","- C24 H24 Cr N2 O22 Zr3 -","- C96 H96 Cr4 N8 O88 Zr12 -","4","0.25","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:53",""
"7711587","14.675","0.006","14.675","0.006","20.768","0.008","90","","90","","90","","4473","3","","","298","","","","","","","","see text","6","I -4","I -4","82","","","","- C24 H26 N2 O26 Re2 Zr3 -","- C24 H26 N2 O26 Re2 Zr3 -","- C96 H104 N8 O104 Re8 Zr12 -","4","0.5","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:55",""
"7711588","14.655","0.018","14.655","0.018","20.74","0.02","90","","90","","90","","4454","9","","","298","","","","","","","","see text","6","I 4/m","-I 4","87","","","","- C24 H24 Cr4 N2 O30 Zr3 -","- C24 H24 Cr4 N2 O30 Zr3 -","- C96 H96 Cr16 N8 O120 Zr12 -","4","0.25","","Pournara, Anastasia; Evangelou, Dimitrios; Roukounaki, Christina; Andreou, Evangelos K.; Armatas, Gerasimos S.; Lazarides, Theodore; Manos, Manolis J.","Highly efficient sorption and luminescence sensing of oxoanionic species by 8-connected alkyl-amino functionalized Zr4+ MOFs","Dalton Transactions","2022","","","","","10.1039/D2DT02848D","","x-ray","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","278840","2022-10-27","22:55:55",""
"7711589","8.54762","0.0001","11.11838","0.00014","34.2531","0.0004","90","","90","","90","","3255.27","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","- C100 H112 Cu4 F24 N16 O32 S8 -","4","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0397","0.0382","","","0.1072","0.1118","","","","","","1.035","","","","has coordinates","278841","2022-10-27","22:57:18",""
"7711590","8.61725","0.00019","9.0624","0.0002","11.6675","0.0003","109.288","0.002","95.2123","0.0017","103.576","0.0019","821.78","0.04","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","1","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0542","0.0531","","","0.1449","0.1472","","","","","","1.032","","","","has coordinates","278841","2022-10-27","22:57:19",""
"7711591","19.2084","0.0004","10.2197","0.0003","19.4085","0.0006","90","","104.758","0.003","90","","3684.28","0.18","150","0.14","150","0.14","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C58 H68 Cu F6 N8 O14 S2 -","- C58 H64 Cu F6 N8 O14 S2 -","- C116 H128 Cu2 F12 N16 O28 S4 -","2","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.105","0.0974","","","0.2806","0.2961","","","","","","1.164","","","","has coordinates,has disorder","278841","2022-10-27","22:57:19",""
"7711592","10.8136","0.0003","14.3149","0.0004","14.8173","0.0005","114.84","0.003","110.408","0.003","95.136","0.002","1874.2","0.13","136","11","136","11","","","","","","","","6","P 1","P 1","1","","","","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","- C64.35 H81.05 Cl2 N12.35 Ni O26.7 -","1","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0533","0.052","","","0.1437","0.1466","","","","","","1.033","","","","has coordinates","278841","2022-10-27","22:57:20",""
"7711593","10.6841","0.0002","24.5941","0.0005","14.2949","0.0003","90","","100.679","0.002","90","","3691.16","0.13","113","3","113","3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu N12 O26 -","- C64 H80 Cl2 Cu N12 O26 -","- C128 H160 Cl4 Cu2 N24 O52 -","2","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0796","0.0773","","","0.2077","0.2111","","","","","","1.016","","","","has coordinates,has disorder","278841","2022-10-27","22:57:20",""
"7711594","12.697","0.004","20.986","0.006","23.21","0.007","90","","103.848","0.004","90","","6005","3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Cl2 Cu4 N6 -","- C54 H68 Cl2 Cu4 N6 -","- C216 H272 Cl8 Cu16 N24 -","4","1","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.1642","0.1039","","","0.2565","0.302","","","","","","1.037","","","","has coordinates","278842","2022-10-27","22:59:49",""
"7711595","21.51","0.003","11.7559","0.0014","12.4242","0.0014","90","","100.044","0.002","90","","3093.6","0.7","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H72 Br2 Cu4 N6 -","- C56 H72 Br2 Cu4 N6 -","- C112 H144 Br4 Cu8 N12 -","2","0.5","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.0594","0.0412","","","0.0984","0.1061","","","","","","1.015","","","","has coordinates","278842","2022-10-27","22:59:50",""
"7711596","21.7379","0.0012","11.7973","0.0006","12.4396","0.0007","90","","100.382","0.002","90","","3137.9","0.3","293.15","","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H72 Cu4 I2 N6 -","- C56 H72 Cu4 I2 N6 -","- C112 H144 Cu8 I4 N12 -","2","0.5","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.061","0.035","","","0.0716","0.0797","","","","","","1.031","","","","has coordinates,has disorder","278842","2022-10-27","22:59:50",""
"7711597","12.426","0.011","11.631","0.013","44.05","0.04","90","","95.409","0.016","90","","6338","11","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H68 Cu4 I2 N6 -","- C54 H68 Cu4 I2 N6 -","- C216 H272 Cu16 I8 N24 -","4","1","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.1568","0.1039","","","0.2178","0.2387","","","","","","1.067","","","","has coordinates","278842","2022-10-27","22:59:50",""
"7711598","12.8172","0.0007","20.874","0.0011","23.2383","0.0012","90","","104.313","0.001","90","","6024.3","0.6","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Br2 Cu4 N6 -","- C54 H68 Br2 Cu4 N6 -","- C216 H272 Br8 Cu16 N24 -","4","1","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.1122","0.0545","","","0.1192","0.1409","","","","","","1.019","","","","has coordinates","278842","2022-10-27","22:59:51",""
"7711599","22.1754","0.0012","12.3278","0.0007","44.251","0.002","90","","102.201","0.001","90","","11823.8","1.1","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl2 Cu4 N6 -","- C56 H72 Cl2 Cu4 N6 -","- C448 H576 Cl16 Cu32 N48 -","8","2","","Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu","Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes","Dalton Transactions","2022","","","","","10.1039/D2DT02654F","","","0.71073","MoKα","","0.0967","0.0479","","","0.1004","0.1152","","","","","","1.019","","","","has coordinates","278842","2022-10-27","22:59:51",""
"7711600","17.5439","0.0004","7.2896","0.0002","17.6559","0.0005","90","","90.502","0.002","90","","2257.89","0.1","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl4 Mn N2 O -","- C18 H30 Cl4 Mn N2 O -","- C72 H120 Cl16 Mn4 N8 O4 -","4","2","","Taniguchi, Kouji; Huang, Po-Jung; Kimura, Shojiro; Miyasaka, Hitoshi","Chiral weak ferromagnets formed in one-dimensional organic–inorganic hybrid manganese chloride hydrates","Dalton Transactions","2022","","","","","10.1039/D2DT02928F","","x-ray","0.71073","MoKα","","0.0398","0.0307","","","0.062","0.0644","","","","","","1.009","","","","has coordinates","278844","2022-10-27","23:00:48",""
"7711601","17.5072","0.0005","7.27776","0.00019","17.6298","0.0007","90","","90.488","0.003","90","","2246.19","0.12","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl4 Mn N2 O -","- C18 H30 Cl4 Mn N2 O -","- C72 H120 Cl16 Mn4 N8 O4 -","4","2","","Taniguchi, Kouji; Huang, Po-Jung; Kimura, Shojiro; Miyasaka, Hitoshi","Chiral weak ferromagnets formed in one-dimensional organic–inorganic hybrid manganese chloride hydrates","Dalton Transactions","2022","","","","","10.1039/D2DT02928F","","","0.71073","MoKα","","0.0385","0.0334","","","0.0758","0.0783","","","","","","1.021","","","","has coordinates","278844","2022-10-27","23:00:49",""
"7711602","11.1612","0.0009","17.6966","0.0014","9.082","0.0007","90","","90","","90","","1793.8","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 B N -","- C24 H18 B N -","- C96 H72 B4 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.1192","0.09","","","0.2258","0.2425","","","","","","1.089","","","","has coordinates","278868","2022-10-29","09:06:37",""
"7711603","12.2016","0.0013","9.8758","0.0012","14.989","0.0018","90","","103.647","0.004","90","","1755.2","0.4","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B N -","- C24 H18 B N -","- C96 H72 B4 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.089","0.0607","","","0.1437","0.1586","","","","","","1.08","","","","has coordinates","278868","2022-10-29","09:06:37",""
"7711604","13.3393","0.0005","9.398","0.0003","15.5279","0.0005","90","","110.466","0.001","90","","1823.75","0.11","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 B F3 N -","- C24 H15 B F3 N -","- C96 H60 B4 F12 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.095","0.0742","","","0.1663","0.1756","","","","","","1.181","","","","has coordinates,has disorder","278868","2022-10-29","09:06:37",""
"7711605","12.929","0.002","9.6055","0.0019","15.347","0.003","90","","108.252","0.004","90","","1810","0.6","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 B N O -","- C24 H18 B N O -","- C96 H72 B4 N4 O4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.1007","0.0665","","","0.1742","0.1929","","","","","","1.087","","","","has coordinates","278868","2022-10-29","09:06:37",""
"7711606","11.938","0.0005","12.7143","0.0005","14.2807","0.0006","109.19","0.001","103.359","0.002","108.885","0.001","1793.52","0.13","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 B2 N2 O2 -","- C48 H36 B2 N2 O2 -","- C96 H72 B4 N4 O4 -","2","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.104","0.0488","","","0.1277","0.1426","","","","","","1.019","","","","has coordinates","278868","2022-10-29","09:06:37",""
"7711607","12.1041","0.0015","8.6562","0.0009","36.508","0.004","90","","92.703","0.004","90","","3820.9","0.7","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.85 H39.53 B2 N2 O2.03 -","- C49.846 H39.538 B2 N2 O2.034 -","- C199.384 H158.152 B8 N8 O8.136 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.0935","0.0723","","","0.1812","0.1943","","","","","","1.071","","","","has coordinates,has disorder","278868","2022-10-29","09:06:38",""
"7711608","9.1093","0.0002","11.4141","0.0003","17.639","0.0004","90","","90","","90","","1834.01","0.08","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 B F3 N -","- C24 H15 B F3 N -","- C96 H60 B4 F12 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.046","0.0366","","","0.0872","0.0896","","","","","","1.042","","","","has coordinates","278868","2022-10-29","09:06:38",""
"7711609","8.5923","0.0005","10.4752","0.0006","21.9452","0.0012","90","","91.678","0.002","90","","1974.35","0.19","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 B F3 N -","- C25 H17 B F3 N -","- C100 H68 B4 F12 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.0551","0.0445","","","0.1042","0.1111","","","","","","1.048","","","","has coordinates,has disorder","278868","2022-10-29","09:06:38",""
"7711610","18.386","0.004","8.564","0.002","12.291","0.003","90","","107.445","0.007","90","","1846.3","0.7","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19.82 B N -","- C25 H19.822 B N -","- C100 H79.288 B4 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.0735","0.0623","","","0.151","0.1573","","","","","","1.06","","","","has coordinates,has disorder","278868","2022-10-29","09:06:38",""
"7711616","25.774","0.005","17.081","0.003","28.009","0.005","90","","90","","90","","12331","4","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 Cl2 Mn N4 O -","- C33 H30 Cl2 Mn N4 O -","- C528 H480 Cl32 Mn16 N64 O16 -","16","2","","Liu, Lingling; Zhu, Tong; Cai, Changting; Wang, Lianke; Li, Shengli; Lian, Xiao; Feng, Yan; Tian, Yupeng; Zhang, Qiong","Ligand-regulated three-photon AIE properties of manganese(II) complexes for photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02410a","","","0.71073","MoKα","","0.1557","0.0775","","","0.1764","0.2455","","","","","","1.105","","","","has coordinates,has disorder","278886","2022-11-01","09:08:06",""
"7711617","14.39","0.04","12.93","0.04","15.07","0.04","90","","93.42","0.05","90","","2799","14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Co N3 O6 -","- C29 H27 Co N3 O6 -","- C116 H108 Co4 N12 O24 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02853k","","","0.71073","MoKα","","0.0984","0.0522","","","0.144","0.1794","","","","","","1.004","","","","has coordinates,has disorder","278887","2022-11-01","09:09:29",""
"7711618","14.27","0.05","12.9","0.04","15.06","0.05","90","","92.99","0.05","90","","2769","16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N3 O6 Zn -","- C29 H27 N3 O6 Zn -","- C116 H108 N12 O24 Zn4 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02853k","","","0.71073","MoKα","","0.1243","0.0567","","","0.1224","0.1489","","","","","","0.994","","","","has coordinates,has disorder","278887","2022-11-01","09:09:29",""
"7711619","10.867","0.002","14.873","0.003","15.935","0.003","90","","96.014","0.006","90","","2561.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N3 Ni O4 -","- C29 H27 N3 Ni O4 -","- C116 H108 N12 Ni4 O16 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02853k","","","0.71073","MoKα","","0.1558","0.073","","","0.1645","0.2085","","","","","","0.953","","","","has coordinates","278887","2022-11-01","09:09:29",""
"7711620","9.5859","0.0016","36.019","0.004","10.7112","0.0019","90","","92.771","0.018","90","","3694","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Co N3 O6 -","- C43 H36 Co N3 O6 -","- C172 H144 Co4 N12 O24 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02853k","","","0.71073","MoKα","","0.1723","0.0605","","","0.1342","0.1863","","","","","","0.995","","","","has coordinates","278887","2022-11-01","09:09:29",""
"7711621","9.119","0.002","32.781","0.007","9.975","0.002","90","","104.32","0.03","90","","2889.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl2 Cu N3 O6 -","- C30 H33 Cl2 Cu N3 O6 -","- C120 H132 Cl8 Cu4 N12 O24 -","4","1","","Podder, Nirmalya; Mandal, Sukanta","The effects of metal cofactors on the reactivity of quercetin 2,4-dioxygenase: synthetic model studies with M(II)-complexes (M = Mn, Co, Ni, Cu, Zn) and assessment of the regulatory factors in catalytic efficacy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02853k","","","0.71073","MoKα","","0.0512","0.0403","","","0.1079","0.1125","","","","","","1.005","","","","has coordinates","278887","2022-11-01","09:09:29",""
"7711622","9.9206","0.0008","24.0797","0.0017","10.0515","0.0008","90","","109.445","0.009","90","","2264.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Co N5 O4 -","- C24 H25 Co N5 O4 -","- C96 H100 Co4 N20 O16 -","4","1","","Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu","Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02345h","","","0.71073","MoKα","","0.085","0.0532","","","0.0919","0.1035","","","","","","1.039","","","","has coordinates","278888","2022-11-01","09:10:53",""
"7711623","7.667","0.0019","15.405","0.003","18.209","0.005","90","","96.489","0.009","90","","2136.9","0.9","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Co N7 O10 -","- C13 H21 Co N7 O10 -","- C52 H84 Co4 N28 O40 -","4","1","","Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu","Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02345h","","","0.71073","MoKα","","0.1113","0.09","","","0.258","0.2766","","","","","","1.057","","","","has coordinates","278888","2022-11-01","09:10:54",""
"7711624","16.0546","0.0012","8.0594","0.0005","15.2612","0.001","90","","95.807","0.002","90","","1964.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Co N7 O9 -","- C13 H19 Co N7 O9 -","- C52 H76 Co4 N28 O36 -","4","1","","Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu","Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02345h","","","0.71073","MoKα","","0.0553","0.0417","","","0.1052","0.1145","","","","","","1.043","","","","has coordinates","278888","2022-11-01","09:10:54",""
"7711625","25.621","0.003","8.0234","0.0012","24.82","0.003","90","","90.826","0.005","90","","5101.7","1.1","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Co N8 O4 -","- C25 H28 Co N8 O4 -","- C200 H224 Co8 N64 O32 -","8","1","","Qin, Yuanyuan; Wu, Yuewei; Luo, Shuchang; Xi, Jing; Guo, Yan; Ding, Yi; Zhang, Jun; Liu, Xiangyu","Modulation of the magnetic dynamics of pentagonal-bipyramidal Co(II) complexes by fine-tuning the coordination microenvironment.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02345h","","","0.71073","MoKα","","0.0754","0.0503","","","0.1398","0.1596","","","","","","1.049","","","","has coordinates","278888","2022-11-01","09:10:54",""
"7711626","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1406","0.1196","","","0.2762","0.2897","","","","","","1.38","","","","has coordinates,has disorder","278889","2022-11-01","09:13:18",""
"7711627","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.123","0.1015","","","0.2315","0.2439","","","","","","1.328","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711628","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1115","0.0937","","","0.2072","0.2158","","","","","","1.337","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711629","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1308","0.1151","","","0.2612","0.2708","","","","","","1.391","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711630","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1325","0.1126","","","0.2494","0.2606","","","","","","1.363","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711631","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1187","0.0997","","","0.2222","0.2328","","","","","","1.273","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711632","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1338","0.1137","","","0.268","0.2808","","","","","","1.268","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711633","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.185","0.1557","","","0.31","0.3228","","","","","","1.468","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711634","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1258","0.1062","","","0.2474","0.2568","","","","","","1.346","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711635","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1668","0.1257","","","0.297","0.3155","","","","","","1.335","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711636","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1418","0.1118","","","0.2623","0.2779","","","","","","1.389","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711637","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1453","0.1208","","","0.2728","0.2846","","","","","","1.342","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711638","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1424","0.1128","","","0.2683","0.2849","","","","","","1.385","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711639","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1884","0.1347","","","0.3406","0.3668","","","","","","1.496","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711640","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1202","0.0951","","","0.232","0.2446","","","","","","1.292","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711641","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1523","0.1101","","","0.2716","0.2998","","","","","","1.244","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711642","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1954","0.1373","","","0.3011","0.3303","","","","","","1.325","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711643","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.149","0.1114","","","0.2725","0.2919","","","","","","1.302","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711644","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1387","0.1192","","","0.2821","0.2957","","","","","","1.371","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711645","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1564","0.1163","","","0.272","0.292","","","","","","1.363","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711646","30.967","0.006","12.821","0.003","27.261","0.005","90","","121.33","0.03","90","","9245","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone","Short- <i>vs</i>. long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon(II) spin crossover grid complex observed by time-resolved X-Ray crystallography.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02638d","","","0.82656","Synchrotron","","0.1512","0.1155","","","0.2706","0.2868","","","","","","1.348","","","","has coordinates,has disorder","278889","2022-11-01","09:13:19",""
"7711647","12.1523","0.0006","16.5107","0.0015","20.3375","0.0013","90","","94.16","0.003","90","","4069.8","0.5","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cd Cl2 N6 O10 -","- C44 H40 Cd Cl2 N6 O10 -","- C176 H160 Cd4 Cl8 N24 O40 -","4","1","","Mikata, Yuji; Kaneda, Minori; Yonemura, Shizuka; Akedo, Miyu; Konno, Hideo; Matsuo, Takashi","Cd<sup>2+</sup>-selective fluorescence response of TQEN (<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-quinolylmethyl)ethylenediamine) derivatives bearing ether oxygen-binding sites.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02948k","","","0.71075","MoKα","","0.043","0.0391","","","0.0981","0.1021","","","","","","1.051","","","","has coordinates","278890","2022-11-01","09:14:27",""
"7711648","10.352","0.002","12.177","0.003","20.024","0.004","68.874","0.005","71.806","0.007","84.582","0.008","2236.3","0.8","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Cl2 N8 O9 Zn -","- C46 H42 Cl2 N8 O9 Zn -","- C92 H84 Cl4 N16 O18 Zn2 -","2","1","","Mikata, Yuji; Kaneda, Minori; Yonemura, Shizuka; Akedo, Miyu; Konno, Hideo; Matsuo, Takashi","Cd<sup>2+</sup>-selective fluorescence response of TQEN (<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-quinolylmethyl)ethylenediamine) derivatives bearing ether oxygen-binding sites.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02948k","","","0.71075","MoKα","","0.0916","0.0608","","","0.1653","0.1959","","","","","","1.103","","","","has coordinates","278890","2022-11-01","09:14:27",""
"7711649","20.3724","0.0017","10.6925","0.0009","15.743","0.0013","90","","95.85","0.002","90","","3411.5","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H48 Br4 N24 Ni2 O15 -","- C57 H48 Br4 N24 Ni2 O15 -","- C114 H96 Br8 N48 Ni4 O30 -","2","0.25","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0584","0.0376","","0.0659","0.0624","0.0624","","","","","","1","","","","has coordinates,has disorder","278891","2022-11-01","09:16:06",""
"7711650","7.802","0.004","14.426","0.009","13.723","0.008","90","","94.399","0.015","90","","1540","1.5","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 Cu F N5 -","- C14 H10 Cl2 Cu F N5 -","- C56 H40 Cl8 Cu4 F4 N20 -","4","1","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0767","0.0455","","0.0912","0.0772","0.0772","","","","","","1","","","","has coordinates","278891","2022-11-01","09:16:06",""
"7711651","10.384","0.0005","27.319","0.0015","12.0585","0.0007","90","","101.996","0.0019","90","","3346.1","0.3","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H44 F16 N22 O7 P2 Zn2 -","- C57 H44 F16 N22 O7 P2 Zn2 -","- C114 H88 F32 N44 O14 P4 Zn4 -","2","0.5","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0575","0.0419","","0.0884","0.085","0.085","","","","","","1","","","","has coordinates,has disorder","278891","2022-11-01","09:16:06",""
"7711652","11.961","0.004","8.17","0.003","20.759","0.008","90","","103.555","0.011","90","","1972.1","1.2","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 F Mn N5 O2 -","- C16 H18 Cl2 F Mn N5 O2 -","- C64 H72 Cl8 F4 Mn4 N20 O8 -","4","1","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0662","0.0414","","0.0721","0.0651","0.0651","","","","","","1","","","","has coordinates","278891","2022-11-01","09:16:07",""
"7711653","13.149","0.006","15.905","0.007","19.736","0.009","90","","97.53","0.02","90","","4092","3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cd F N7 O8 -","- C15 H16 Cd F N7 O8 -","- C120 H128 Cd8 F8 N56 O64 -","8","1","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0429","0.033","","0.0538","0.0515","0.0515","","","","","","1.0002","","","","has coordinates","278891","2022-11-01","09:16:07",""
"7711654","16.205","0.006","16.629","0.006","23.492","0.007","90","","104.765","0.01","90","","6121","4","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C113 H88 F8 N48 Ni4 O27 -","- C113 H88 F8 N48 Ni4 O27 -","- C226 H176 F16 N96 Ni8 O54 -","2","0.25","","Wang, Junbei; Zhou, Xianju; Xiang, Guotao; Jiang, Sha; Li, Li; Wang, Yongjie; Li, Yanhong; Jing, Chuan; Yao, Lu; Yang, Hongmei; Huang, Yanhao; Wang, Feng","The explanation of abnormal thermal quenching of the charge transfer band based on thermally coupled levels and applications as temperature sensing probes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02744e","","","0.71073","MoKα","","0.0742","0.0516","","0.0825","0.0737","0.0737","","","","","","1","","","","has coordinates","278891","2022-11-01","09:16:07",""
"7711655","11.775","0.0009","15.4255","0.0012","12.1047","0.0009","90","","104.639","0.001","90","","2127.3","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Cl N3 O3 Re -","- C23 H15 Cl N3 O3 Re -","- C92 H60 Cl4 N12 O12 Re4 -","4","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","","0.71073","MoKα","","0.0401","0.026","","","0.0556","0.0606","","","","","","0.992","","","","has coordinates","278892","2022-11-01","09:18:20",""
"7711656","9.6071","0.0009","11.7517","0.001","12.1793","0.0011","81.043","0.001","80.204","0.001","67.773","0.001","1248","0.19","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 D6 N3 O3 Re -","- C29 H18 D6 N3 O3 Re -","- C58 H36 D12 N6 O6 Re2 -","2","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","0.71073","MoKα","","0.0338","0.0259","","","0.0492","0.0516","","","","","","1.019","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711657","19.8011","0.0005","10.7352","0.0003","21.1945","0.0006","90","","100.588","0.0013","90","","4428.6","0.2","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25.5 H20 N3 O3 Re -","- C25.5 H20 N3 O3 Re -","- C204 H160 N24 O24 Re8 -","8","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","1.54178","CuKα","","0.0395","0.036","","","0.0843","0.0866","","","","","","1.064","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711658","21.5535","0.0017","21.0599","0.0007","21.357","0.0014","90","","90","","90","","9694.3","1","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C55 H54 Cl Co F2 N3 O3 Re -","- C55 H54 Cl Co F2 N3 O3 Re -","- C440 H432 Cl8 Co8 F16 N24 O24 Re8 -","8","0.5","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","1.54178","CuKα","","0.0971","0.0619","","","0.1433","0.1615","","","","","","1.026","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711659","8.8205","0.0008","13.4145","0.0012","26.571","0.002","90","","91.8983","0.0011","90","","3142.2","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N5 O3 Re -","- C36 H30 N5 O3 Re -","- C144 H120 N20 O12 Re4 -","4","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","0.71073","MoKα","","0.0388","0.0262","","","0.0488","0.0519","","","","","","1.041","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711660","10.6487","0.0007","14.883","0.001","17.1392","0.0012","73.367","0.001","79.156","0.001","76.079","0.001","2505.3","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H46 Cl2 N6 O9 Re2 -","- C51 H46 Cl2 N6 O9 Re2 -","- C102 H92 Cl4 N12 O18 Re4 -","2","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","","0.71073","MoKα","","0.0565","0.033","","","0.0555","0.0622","","","","","","0.997","","","","has coordinates,has disorder","278892","2022-11-01","09:18:21",""
"7711661","45.563","0.008","18.693","0.003","21.023","0.004","90","","90.978","0.004","90","","17903","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ir3N3S3C66","","- C85.66 H81.11 Cl7.46 Ir3 N3 S3 -","- C85.668 H81.112 Cl7.464 Ir3 N3 S3 -","- C685.344 H648.896 Cl59.712 Ir24 N24 S24 -","8","1","","Kubiak, Clifford P.; Miller, Christopher J.; Brunner, Felix M.; Kelly, H. Ray; Cheung, Po Ling; Torquato, Nicole A.; Gembicky, Milan; Okuno, Saya; Chan, Thomas; Batista, Victor S.","PM-IRRAS and DFT investigation of the surface orientation of new Ir piano-stool complexes attached to Au (111)","Dalton Transactions","2022","","","","","10.1039/D2DT02730E","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.0491","","","0.1018","0.1162","","","","","","1.027","","","","has coordinates,has disorder","278906","2022-11-01","23:49:06",""
"7711662","15.2547","0.0004","26.2195","0.0008","15.2032","0.0004","90","","90.0121","0.0016","90","","6080.8","0.3","292.3","","292.3","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cr5 N22 S2 -","- C62 H44 Cr5 N22 S2 -","- C248 H176 Cr20 N88 S8 -","4","0.5","","Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael","The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven","Dalton Transactions","2022","","","","","10.1039/D2DT03103E","","x-ray","0.71073","MoKα","K-L~3~","0.0704","0.0506","","","0.1344","0.1585","","","","","","1.061","","","","has coordinates","278907","2022-11-01","23:49:48",""
"7711663","15.0601","0.0004","26.1633","0.0007","14.9768","0.0004","90","","90.0266","0.0016","90","","5901.2","0.3","15","","15","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cr5 N22 S2 -","- C62 H44 Cr5 N22 S2 -","- C248 H176 Cr20 N88 S8 -","4","0.5","","Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael","The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven","Dalton Transactions","2022","","","","","10.1039/D2DT03103E","","x-ray","0.71073","MoKα","K-L~3~","0.042","0.0349","","","0.0961","0.1023","","","","","","1.051","","","","has coordinates","278907","2022-11-01","23:49:48",""
"7711664","15.0605","0.0004","26.1672","0.0007","14.9728","0.0004","90","","90.023","0.002","90","","5900.6","0.3","3","","3","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cr5 N22 S2 -","- C62 H44 Cr5 N22 S2 -","- C248 H176 Cr20 N88 S8 -","4","0.5","","Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael","The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven","Dalton Transactions","2022","","","","","10.1039/D2DT03103E","","x-ray","0.71073","MoKα","K-L~3~","0.0413","0.0343","","","0.0942","0.1005","","","","","","1.05","","","","has coordinates","278907","2022-11-01","23:49:48",""
"7711665","15.1037","0.0004","26.1632","0.0008","15.0198","0.0004","90","","90.0189","0.0016","90","","5935.2","0.3","100","","100","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cr5 N22 S2 -","- C62 H44 Cr5 N22 S2 -","- C248 H176 Cr20 N88 S8 -","4","0.5","","Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael","The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven","Dalton Transactions","2022","","","","","10.1039/D2DT03103E","","x-ray","0.71073","MoKα","K-L~3~","0.0426","0.0335","","","0.0921","0.1008","","","","","","1.042","","","","has coordinates","278907","2022-11-01","23:49:48",""
"7711666","15.2426","0.0003","26.2039","0.0007","15.2056","0.0003","90","","90.006","0.001","90","","6073.4","0.2","291.8","","291.8","","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cr5 N22 S2 -","- C62 H44 Cr5 N22 S2 -","- C248 H176 Cr20 N88 S8 -","4","0.5","","Cornia, Andrea; Nicolini, Alessio; McMonagle, Charles J.; Probert, Michael","The structure of a pentachromium(II) extended metal atom chain at 3 K: Cotton’s conjecture proven","Dalton Transactions","2022","","","","","10.1039/D2DT03103E","","x-ray","0.71073","MoKα","K-L~3~","0.0564","0.036","","","0.0985","0.1159","","","","","","1.016","","","","has coordinates","278907","2022-11-01","23:49:48",""
"7711667","7.3454","0.0016","16.8251","0.0013","23.326","0.014","90","","91.95","0.04","90","","2881.1","1.9","450","2","450","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C24 H36 O5 Zn -","- C24 H36 O5 Zn -","- C96 H144 O20 Zn4 -","4","0.5","","Omoto, Kenichiro; Aoyama, Shota; Galica, Tomasz; Nishibori, Eiji; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael","Thermally responsive morphological change of layered coordination polymer induced by disordering/ordering of flexible alkyl chains","Dalton Transactions","2022","","","","","10.1039/D2DT03142F","","","0.24792","synchrotron","","0.2526","0.1156","","","0.3147","0.4144","","","","","","1.035","","","","has coordinates,has disorder","278908","2022-11-01","23:50:29",""
"7711668","8.0069","0.0003","9.7526","0.0004","18.8575","0.0009","82.319","0.006","89.523","0.006","68.639","0.005","1357.78","0.11","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H44 O7 Zn -","- C26 H44 O7 Zn -","- C52 H88 O14 Zn2 -","2","1","","Omoto, Kenichiro; Aoyama, Shota; Galica, Tomasz; Nishibori, Eiji; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael","Thermally responsive morphological change of layered coordination polymer induced by disordering/ordering of flexible alkyl chains","Dalton Transactions","2022","","","","","10.1039/D2DT03142F","","x-ray","0.71075","MoKα","","0.0734","0.0488","","","0.1162","0.1262","","","","","","1.022","","","","has coordinates","278908","2022-11-01","23:50:29",""
"7711669","7.0651","0.0002","9.0096","0.0003","20.2493","0.0005","78.148","0.005","89.073","0.006","69.912","0.005","1182.65","0.08","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O5 Zn -","- C24 H36 O5 Zn -","- C48 H72 O10 Zn2 -","2","1","","Omoto, Kenichiro; Aoyama, Shota; Galica, Tomasz; Nishibori, Eiji; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael","Thermally responsive morphological change of layered coordination polymer induced by disordering/ordering of flexible alkyl chains","Dalton Transactions","2022","","","","","10.1039/D2DT03142F","","x-ray","0.71075","MoKα","","0.0296","0.0266","","","0.0701","0.0715","","","","","","1.13","","","","has coordinates","278908","2022-11-01","23:50:29",""
"7711670","11.7041","0.0003","11.8358","0.0002","12.0835","0.0002","83.959","0.002","88.819","0.002","65.389","0.002","1512.88","0.06","173","0.02","173","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Cl4 Dy2 N14 O26 -","- C46 H56 Cl4 Dy2 N14 O26 -","- C46 H56 Cl4 Dy2 N14 O26 -","1","0.5","","Armenis, Alexandros; Bakali, Georgia; Brantley, ChristiAnna; Raptopoulou, Catherine; Psycharis, Vassilis; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis","A family of mono-, di-, and tetranuclear DyIII complexes bearing the ligand 2,6-diacetylpyridine bis(picolinoylhydrazone) and exhibiting slow relaxation of magnetization","Dalton Transactions","2022","","","","","10.1039/D2DT02921A","","x-ray","1.54184","CuKα","","0.0497","0.0485","","","0.127","0.1281","","","","","","1.111","","","","has coordinates","278914","2022-11-02","23:46:32",""
"7711671","8.1076","0.0003","12.3845","0.0004","13.8914","0.0004","96.823","0.001","94.345","0.001","97.571","0.001","1366.93","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl3 Dy N7 O3 -","- C22 H23 Cl3 Dy N7 O3 -","- C44 H46 Cl6 Dy2 N14 O6 -","2","1","","Armenis, Alexandros; Bakali, Georgia; Brantley, ChristiAnna; Raptopoulou, Catherine; Psycharis, Vassilis; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis","A family of mono-, di-, and tetranuclear DyIII complexes bearing the ligand 2,6-diacetylpyridine bis(picolinoylhydrazone) and exhibiting slow relaxation of magnetization","Dalton Transactions","2022","","","","","10.1039/D2DT02921A","","","0.71073","MoKα","","0.0291","0.0268","","","0.074","0.0751","","","","","","1.07","","","","has coordinates","278914","2022-11-02","23:46:32",""
"7711672","9.8622","0.0002","13.8457","0.0003","13.8813","0.0003","102.154","0.001","107.256","0.001","97.596","0.001","1730.7","0.07","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H51.15 Dy2 F12 N14 O20.57 S4 -","- C48 H45.148 Dy2 F12 N14 O18.574 S4 -","- C48 H45.148 Dy2 F12 N14 O18.574 S4 -","1","0.5","","Armenis, Alexandros; Bakali, Georgia; Brantley, ChristiAnna; Raptopoulou, Catherine; Psycharis, Vassilis; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis","A family of mono-, di-, and tetranuclear DyIII complexes bearing the ligand 2,6-diacetylpyridine bis(picolinoylhydrazone) and exhibiting slow relaxation of magnetization","Dalton Transactions","2022","","","","","10.1039/D2DT02921A","","","0.71073","MoKα","","0.0294","0.0268","","","0.0628","0.064","","","","","","1.066","","","","has coordinates,has disorder","278914","2022-11-02","23:46:33",""
"7711673","10.8636","0.0009","12.836","0.001","14.6728","0.0011","69.412","0.002","83.157","0.003","84.392","0.003","1898.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Cl4 Dy4 N14 O18 -","- C56 H58 Cl4 Dy4 N14 O18 -","- C56 H58 Cl4 Dy4 N14 O18 -","1","0.5","","Armenis, Alexandros; Bakali, Georgia; Brantley, ChristiAnna; Raptopoulou, Catherine; Psycharis, Vassilis; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis","A family of mono-, di-, and tetranuclear DyIII complexes bearing the ligand 2,6-diacetylpyridine bis(picolinoylhydrazone) and exhibiting slow relaxation of magnetization","Dalton Transactions","2022","","","","","10.1039/D2DT02921A","","","0.71073","MoKα","","0.046","0.0391","","","0.1014","0.1151","","","","","","1.136","","","","has coordinates","278914","2022-11-02","23:46:33",""
"7711674","24.7989","0.0007","13.3737","0.0003","22.8232","0.0006","90","","117.199","0.004","90","","6732.4","0.4","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C60 H114 Co2 K N4 O3 P4 -","- C60 H114 Co2 K N4 O3 P4 -","- C240 H456 Co8 K4 N16 O12 P16 -","4","0.5","","Li, Hai-Jun; Feng, Rui; Wang, Gao-Xiang; Wei, Junnian; Xi, Zhenfeng","Dinitrogen activation by a phosphido-bridged binuclear cobalt complex","Dalton Transactions","2022","","","","","10.1039/D2DT03320H","","x-ray","0.71073","MoKα","","0.0587","0.0482","","","0.1314","0.1375","","","","","","1.052","","","","has coordinates,has disorder","278915","2022-11-02","23:47:35",""
"7711675","9.8615","0.0003","15.4191","0.0004","19.579","0.0005","90","","101.827","0.002","90","","2913.89","0.14","179.99","0.1","179.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H46 Br Co N P2 -","- C27 H46 Br Co N P2 -","- C108 H184 Br4 Co4 N4 P8 -","4","1","","Li, Hai-Jun; Feng, Rui; Wang, Gao-Xiang; Wei, Junnian; Xi, Zhenfeng","Dinitrogen activation by a phosphido-bridged binuclear cobalt complex","Dalton Transactions","2022","","","","","10.1039/D2DT03320H","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0648","0.0675","","","","","","1.04","","","","has coordinates,has disorder","278915","2022-11-02","23:47:35",""
"7711676","28.925","0.0007","18.5369","0.0004","17.6376","0.0004","90","","103.471","0.002","90","","9196.7","0.4","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H156 Co2 K N6 O9 P4 -","- C78 H156 Co2 K N6 O9 P4 -","- C312 H624 Co8 K4 N24 O36 P16 -","4","0.5","","Li, Hai-Jun; Feng, Rui; Wang, Gao-Xiang; Wei, Junnian; Xi, Zhenfeng","Dinitrogen activation by a phosphido-bridged binuclear cobalt complex","Dalton Transactions","2022","","","","","10.1039/D2DT03320H","","x-ray","0.71073","MoKα","","0.0506","0.0419","","","0.1071","0.1121","","","","","","1.067","","","","has coordinates,has disorder","278915","2022-11-02","23:47:35",""
"7711677","26.8287","0.0005","26.8287","0.0005","40.8233","0.0008","90","","90","","90","","29383.8","1","296","2","296","2","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H67 Fe10 Mo24 N4 Na6 O141 P17 -","- C20 H15 Fe10 Mo24 N4 Na6 O141 P17 -","- C160 H120 Fe80 Mo192 N32 Na48 O1128 P136 -","8","0.25","","Guo, Hui-li; Xing, Xiao-Xiao; Mao, Shao-Xu; Feng, Tong; Fan, Yanhua; Qin, Zhijie; Pang, Jingyu; Bai, Yan; Dang, Dong-Bin","Two Three-dimensional Fe(II) Frameworks Based on {P4Mo6} Tetrameric Clusters Exhibiting Efficient Visible-light Photocatalytic Properties for the Degradation of Cr(VI) and Methylene Blue","Dalton Transactions","2022","","","","","10.1039/D2DT02664C","","","0.71073","MoKα","","0.0559","0.0414","","","0.1041","0.113","","","","","","1.022","","","","has coordinates","278916","2022-11-02","23:49:32",""
"7711678","26.6013","0.0007","26.6013","0.0007","43.3793","0.0015","90","","90","","90","","30696.5","1.6","150","2","150.01","","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H78 Fe6 Mo24 N10 Na4 O136 P17 -","- C24 H28 Fe6 Mo24 N4 Na4 O132 P17 -","- C192 H224 Fe48 Mo192 N32 Na32 O1056 P136 -","8","0.25","","Guo, Hui-li; Xing, Xiao-Xiao; Mao, Shao-Xu; Feng, Tong; Fan, Yanhua; Qin, Zhijie; Pang, Jingyu; Bai, Yan; Dang, Dong-Bin","Two Three-dimensional Fe(II) Frameworks Based on {P4Mo6} Tetrameric Clusters Exhibiting Efficient Visible-light Photocatalytic Properties for the Degradation of Cr(VI) and Methylene Blue","Dalton Transactions","2022","","","","","10.1039/D2DT02664C","","","0.71073","MoKα","","0.0908","0.0564","","","0.1107","0.1268","","","","","","1.0486","","","","has coordinates","278916","2022-11-02","23:49:33",""
"7711679","6.545","0.003","8.233","0.004","7.184","0.003","90","","90.149","0.006","90","","387.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Al Li5 Se4 -","- Al Li5 Se4 -","- Al2 Li10 Se8 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0517","0.0474","","","0.123","0.1256","","","","","","1.138","","","","has coordinates","278917","2022-11-02","23:50:37",""
"7711680","8.363","0.003","8.363","0.003","6.553","0.002","90","","90","","120","","396.9","0.2","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga0.89 Li4.37 Se4 Sn0.24 -","- Ga0.8932 Li4.368 Se4 Sn0.2387 -","- Ga1.7864 Li8.736 Se8 Sn0.4774 -","2","0.166667","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.038","0.0343","","","0.0962","0.098","","","","","","1.137","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7711681","6.5565","0.0016","8.253","0.002","7.1966","0.0017","90","","90.293","0.003","90","","389.41","0.16","298","2","298","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ga Li5 Se4 -","- Ga Li5 Se4 -","- Ga2 Li10 Se8 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0416","0.0364","","","0.0941","0.0961","","","","","","1.093","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7711682","6.58","0.004","8.28","0.005","7.238","0.004","90","","90.134","0.008","90","","394.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Al0.82 Li4.66 Se4 Sn0.22 -","- Al0.82 Li4.66 Se4 Sn0.22 -","- Al1.64 Li9.32 Se8 Sn0.44 -","2","0.5","","Sundaramoorthy, Santhoshkumar; Chernatynskiy, Aleksandr V.; Gerasimchuk, Nikolay; Choudhury, Amitava","Lithium Selenometallates of Triel Elements, Li5MSe4 (M = Al and Ga), Aliovalent Doping and Their Ionic Conductivity","Dalton Transactions","2022","","","","","10.1039/D2DT02843C","","","0.71073","MoKα","","0.0418","0.0373","","","0.1035","0.1061","","","","","","1.108","","","","has coordinates","278917","2022-11-02","23:50:38",""
"7711683","17.1262","0.0002","17.1262","0.0002","23.1047","0.0005","90","","90","","120","","5868.85","0.16","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H48 Ag6 Co2 I12 N12 -","- C60 H48 Ag6 Co2 I12 N12 -","- C180 H144 Ag18 Co6 I36 N36 -","3","0.166667","","Tang, Chunying; Sun, Yawei; Liu, Jianbiao; Xu, Qinfeng; Zhang, Chun-Yang","[Co(2,2’-bipy)3]Ag3I6 with hole structure facilitates dye adsorption and photocatalytic reduction","Dalton Transactions","2022","","","","","10.1039/D2DT03128K","","","0.71073","MoKα","","0.0345","0.0294","","","0.0717","0.0741","","","","","","1.077","","","","has coordinates","278918","2022-11-02","23:51:24",""
"7711684","41.7037","0.0007","41.7037","0.0007","9.8644","0.0002","90","","90","","120","","14857.7","0.5","99.99","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H30 Co N5 O8.5 -","- C22 H27 Co N5 O7.5 -","- C396 H486 Co18 N90 O135 -","18","1","","Wang, Ting; Jiang, Zhi-Jie; Wang, Ying; Wei, Rong-Jia; Zeng, Heng; Lu, Weigang; Li, Dan","An ato-Topology Metal-Organic Framework with Large C2H2 Adsorption and C2H2/CO2 Separation Capacity","Dalton Transactions","2022","","","","","10.1039/D2DT02968E","","","1.54184","CuKα","","0.0847","0.0718","","","0.1962","0.2053","","","","","","1.049","","","","has coordinates","278919","2022-11-02","23:52:12",""
"7711685","41.862","0.003","41.862","0.003","9.5888","0.0005","90","","90","","120","","14552.4","1.7","100","0.11","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H15.4 Co N4.2 O4.8 -","- C16 H10 Co N4 O4 -","- C288 H180 Co18 N72 O72 -","18","1","","Wang, Ting; Jiang, Zhi-Jie; Wang, Ying; Wei, Rong-Jia; Zeng, Heng; Lu, Weigang; Li, Dan","An ato-Topology Metal-Organic Framework with Large C2H2 Adsorption and C2H2/CO2 Separation Capacity","Dalton Transactions","2022","","","","","10.1039/D2DT02968E","","","1.54184","CuKα","","0.0924","0.0597","","","0.152","0.1682","","","","","","0.903","","","","has coordinates","278919","2022-11-02","23:52:12",""
"7711686","18.6","0.002","20.872","0.002","13.7091","0.0012","90","","88.123","0.007","90","","5319.3","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl F6 Fe N2 P Ru -","- C26 H28 Cl F6 Fe N2 P Ru -","- C208 H224 Cl8 F48 Fe8 N16 P8 Ru8 -","8","2","","Mensah, Stephen; Rosenthal, Joseph D.; Dagar, Mamta; Brown, Tyson; Mills, Jonathan J.; Hamaker, Christopher G.; Ferrence, Gregory M.; Webb, Michael I.","A Ru(ii)-arene-ferrocene complex with promising antibacterial activity","Dalton Transactions","2022","","","","","10.1039/D2DT02696A","","x-ray","0.71073","MoKα","","0.0417","0.0306","","","0.0773","0.0844","","","","","","1.079","","","","has coordinates,has disorder","278946","2022-11-04","23:50:53",""
"7711687","9.1814","0.0008","12.3291","0.0011","12.6542","0.0012","76.919","0.005","73.108","0.005","87.998","0.005","1334.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Webb/SM-105 [(cymene)RuCl(NN)][PF6].acetone","","","- C25 H30 Cl F6 N2 O P Ru -","- C25 H30 Cl F6 N2 O P Ru -","- C50 H60 Cl2 F12 N4 O2 P2 Ru2 -","2","1","","Mensah, Stephen; Rosenthal, Joseph D.; Dagar, Mamta; Brown, Tyson; Mills, Jonathan J.; Hamaker, Christopher G.; Ferrence, Gregory M.; Webb, Michael I.","A Ru(ii)-arene-ferrocene complex with promising antibacterial activity","Dalton Transactions","2022","","","","","10.1039/D2DT02696A","","x-ray","0.71073","MoKα","","0.0234","0.0199","","","0.0466","0.0482","","","","","","1.035","","","","has coordinates","278946","2022-11-04","23:50:54",""
"7711688","11.5042","0.0006","11.5042","0.0006","19.969","0.0018","90","","90","","90","","2642.8","0.3","273.15","","273.15","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Li P S4 Sr -","- Li P S4 Sr -","- Li16 P16 S64 Sr16 -","16","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0397","0.0236","","","0.0636","0.071","","","","","","1.002","","","","has coordinates","278951","2022-11-05","16:37:10",""
"7711689","9.128","0.002","10.429","0.003","7.0685","0.0016","90","","101.051","0.01","90","","660.4","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na P S4 Sr -","- Na P S4 Sr -","- Na4 P4 S16 Sr4 -","4","1","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0532","0.0379","","","0.0817","0.0885","","","","","","1.008","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711690","18.0743","0.0012","6.7904","0.0005","6.4174","0.0004","90","","90","","90","","787.62","0.09","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs P S4 Sr -","- Cs P S4 Sr -","- Cs4 P4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0382","0.0313","","","0.075","0.0797","","","","","","1.138","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711691","17.3427","0.0006","6.6969","0.0002","6.513","0.0002","90","","90","","90","","756.43","0.04","299","","299","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- P Rb S4 Sr -","- P Rb S4 Sr -","- P4 Rb4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0225","0.0206","","","0.0458","0.0464","","","","","","1.127","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711692","16.849","0.0017","6.6365","0.0006","6.5607","0.0008","90","","90","","90","","733.61","0.13","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K P S4 Sr -","- K P S4 Sr -","- K4 P4 S16 Sr4 -","4","0.5","","Huang, Yi; Huang, Junben; Zhang, Yong","Wide band gap thiophosphates ASrPS<sub>4</sub> (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","15067","15073","10.1039/d2dt02321k","","","0.71073","MoKα","","0.0815","0.077","","","0.2129","0.2158","","","","","","1.183","","","","has coordinates","278951","2022-11-05","16:37:11",""
"7711693","11.2796","0.0014","23.099","0.003","18.796","0.003","90","","95.087","0.004","90","","4878","1.2","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 F12 N8 O P2 Ru -","- C50 H44 F12 N8 O P2 Ru -","- C200 H176 F48 N32 O4 P8 Ru4 -","4","1","","Chen, Yushou; Liu, Lianghong; Wang, Xuerong; Liao, Zhouyuji; Wang, Runbin; Xiong, Yanshi; Cheng, Jianxin; Jiang, Guijuan; Wang, Jintao; Liao, Xiangwen","The synthesis and antibacterial activity study of ruthenium-based metallodrugs with a membrane-disruptive mechanism against <i>Staphylococcus aureus</i>.","Dalton transactions (Cambridge, England : 2003)","2022","51","39","14980","14992","10.1039/d2dt01531e","","","0.71073","MoKα","","0.1175","0.0782","","","0.1933","0.229","","","","","","1.022","","","","has coordinates","278952","2022-11-05","16:38:53",""
"7711694","16.659","0.0006","14.1439","0.0005","28.8454","0.001","90","","90.007","0.001","90","","6796.6","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 Co3 N6 O24 -","- C45 H51 Co3 N6 O24 -","- C180 H204 Co12 N24 O96 -","4","1","","Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang","Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT02303B","","","0.71073","MoKα","","0.1561","0.1353","","","0.3346","0.3494","","","","","","1.067","","","","has coordinates","279044","2022-11-07","23:54:21",""
"7711695","29.577","0.008","28.974","0.008","17.758","0.005","90","","90","","90","","15218","7","193","","193","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C93 H92 N7 O66 Zn13 -","- C93 H92 N7 O66 Zn13 -","- C372 H368 N28 O264 Zn52 -","4","0.5","","Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang","Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT02303B","","","0.71073","MoKα","","0.0685","0.0561","","","0.1597","0.1715","","","","","","0.814","","","","has coordinates,has disorder","279044","2022-11-07","23:54:22",""
"7711696","29.4994","0.001","28.8734","0.0009","17.7149","0.0006","90","","90","","90","","15088.6","0.9","296.15","","296.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C102 H117 Co2 N10 O74 Zn12 -","- C102 H117 Co2 N10 O74 Zn12 -","- C408 H468 Co8 N40 O296 Zn48 -","4","0.5","","Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang","Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate","Dalton Transactions","2022","","","","","10.1039/D2DT02303B","","","0.71073","MoKα","","0.0661","0.0517","","","0.1309","0.1393","","","","","","1.033","","","","has coordinates,has disorder","279044","2022-11-07","23:54:22",""
"7711697","21.314","0.005","14.009","0.003","19.509","0.004","90","","105.499","0.004","90","","5613","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H60 Dy2 N16 O22 -","- C38 H60 Dy2 N16 O22 -","- C152 H240 Dy8 N64 O88 -","4","0.5","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","x-ray","0.71073","MoKα","","0.0401","0.0278","","","0.0606","0.0672","","","","","","1.012","","","","has coordinates,has disorder","279046","2022-11-07","23:55:46",""
"7711698","11.3758","0.0017","12.797","0.002","22.018","0.003","90","","100.741","0.003","90","","3149.1","0.8","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Dy2 N12 O18.7 -","- C50 H62 Dy2 N12 O18.7 -","- C100 H124 Dy4 N24 O37.4 -","2","0.5","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","","0.71073","MoKα","","0.0728","0.0379","","","0.0919","0.1097","","","","","","1.002","","","","has coordinates,has disorder","279046","2022-11-07","23:55:47",""
"7711699","20.4197","0.0013","15.2284","0.001","24.1517","0.0013","90","","108.776","0.004","90","","7110.5","0.8","273.15","","273.15","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C52 H82 Dy2 N12 O28 -","- C52 H70 Dy2 N12 O22 -","- C208 H280 Dy8 N48 O88 -","4","0.5","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","","0.71073","MoKα","","0.0447","0.0365","","","0.0962","0.1004","","","","","","1.036","","","","has coordinates","279046","2022-11-07","23:55:47",""
"7711700","12.3852","0.0006","32.5128","0.0016","15.4534","0.0007","90","","106.554","0.001","90","","5964.8","0.5","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H121 Dy4 N14 Na2 O41 -","- C102 H107 Dy4 N14 Na2 O36 -","- C204 H214 Dy8 N28 Na4 O72 -","2","1","","Li, Xiao-Lei; Ma, Zhifang; Wu, Jinjiang; Zhou, Quan; Tang, Jinkui","Enhancing magnetic relaxation through subcomponent self-assembly from a Dy2 to Dy4 grid","Dalton Transactions","2022","","","","","10.1039/D2DT02996K","","","0.71073","MoKα","","0.0805","0.056","","","0.1165","0.1302","","","","","","1.039","","","","has coordinates,has disorder","279046","2022-11-07","23:55:47",""
"7711701","7.5788","0.0007","27.462","0.003","8.6083","0.0008","90","","101.409","0.004","90","","1756.2","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cl2 O6 Zn -","- C14 H10 Br2 Cl2 O6 Zn -","- C56 H40 Br8 Cl8 O24 Zn4 -","4","1","","Zianna, Ariadni; Vradi, Ellie; Hatzidimitriou, Antonios G.; Kalogiannis, Stavros; Psomas, George","Zinc(ii) complexes of 3-bromo-5-chloro-salicylaldehyde: characterization and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02404G","","","0.71073","MoKα","","0.0669","0.0329","","0.0992","0.0675","0.0675","","","","","","1","","","","has coordinates","279047","2022-11-07","23:56:38",""
"7711702","16.877","0.003","18.316","0.003","8.1927","0.0015","90","","90","","90","","2532.5","0.8","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H14 Br2 Cl2 N2 O4 Zn -","- C26 H14 Br2 Cl2 N2 O4 Zn -","- C104 H56 Br8 Cl8 N8 O16 Zn4 -","4","0.5","","Zianna, Ariadni; Vradi, Ellie; Hatzidimitriou, Antonios G.; Kalogiannis, Stavros; Psomas, George","Zinc(ii) complexes of 3-bromo-5-chloro-salicylaldehyde: characterization and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02404G","","","0.71073","MoKα","","0.0619","0.0364","","0.0713","0.0622","0.0622","","","","","","1","","","","has coordinates","279047","2022-11-07","23:56:41",""
"7711703","8.5801","0.0007","9.6096","0.0007","11.395","0.0008","80.387","0.003","82.456","0.003","85.036","0.003","916.31","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 N5 Ni O2 S2 -","- C15 H21 N5 Ni O2 S2 -","- C30 H42 N10 Ni2 O4 S4 -","2","1","","Drahoš, Bohuslav; Herchel, Radovan","Effective tuning of magnetic anisotropy in distorted pentagonal bipyramidal Ni(II) complexes via substitution of axial coligands","Dalton Transactions","2022","","","","","10.1039/D2DT02867K","","","0.71073","MoKα","","0.0446","0.0327","","","0.0778","0.0882","","","","","","1.116","","","","has coordinates","279048","2022-11-07","23:57:06",""
"7711704","20.8456","0.0002","34.2952","0.0004","28.337","0.0003","90","","90","","90","","20258.2","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H134 B3 Cr F12 N14 -","- C102 H134 B3 Cr F12 N14 -","- C816 H1072 B24 Cr8 F96 N112 -","8","1","","Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja","Bulky ligands protect molecular ruby from oxygen quenching","Dalton Transactions","2022","","","","","10.1039/D2DT02950B","","","0.71073","MoKα","","0.0743","0.0565","","","0.1461","0.1515","","","","","","0.934","","","","has coordinates,has disorder","279049","2022-11-07","23:58:10",""
"7711705","12.023","0.002","14.529","0.003","15.57","0.003","84.63","0.03","80.15","0.03","76.8","0.03","2604.7","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 B3 Cr F12 N14 -","- C46 H54 B3 Cr F12 N14 -","- C92 H108 B6 Cr2 F24 N28 -","2","1","","Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja","Bulky ligands protect molecular ruby from oxygen quenching","Dalton Transactions","2022","","","","","10.1039/D2DT02950B","","","0.71073","MoKα","","0.0484","0.0415","","","0.106","0.1112","","","","","","1.05","","","","has coordinates,has disorder","279049","2022-11-07","23:58:13",""
"7711706","12.594","0.003","22.072","0.004","29.472","0.006","90","","90.43","0.03","90","","8192","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81.41 H91.12 B3 Cr F12 N15.71 -","- C81.416 H91.124 B3 Cr F12 N15.708 -","- C325.664 H364.496 B12 Cr4 F48 N62.832 -","4","1","","Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja","Bulky ligands protect molecular ruby from oxygen quenching","Dalton Transactions","2022","","","","","10.1039/D2DT02950B","","","0.71073","MoKα","","0.0654","0.0489","","","0.1142","0.1247","","","","","","1.099","","","","has coordinates,has disorder","279049","2022-11-07","23:58:23",""
"7711707","12.9745","0.0014","16.9307","0.0018","20.1943","0.0015","90","","96.822","0.008","90","","4404.6","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 Fe -","- C52 H58 Fe -","- C208 H232 Fe4 -","4","1","","Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine","Slow magnetic relaxation in Fe(II) m-terphenyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03531F","","x-ray","1.54184","CuKα","K-L~2,3~","0.1147","0.0551","","","0.1296","0.1494","","","","","","0.943","","","","has coordinates,has disorder","279123","2022-11-08","23:55:49",""
"7711708","22.1189","0.0002","19.6861","0.0002","24.7347","0.0002","90","","95.993","0.001","90","","10711.5","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cl2 Fe -","- C44 H40 Cl2 Fe -","- C528 H480 Cl24 Fe12 -","12","3","","Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine","Slow magnetic relaxation in Fe(II) m-terphenyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03531F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0558","0.0522","","","0.1509","0.1558","","","","","","1.055","","","","has coordinates","279123","2022-11-08","23:55:49",""
"7711709","25.4389","0.001","11.5117","0.0004","47.1469","0.0018","90","","102.414","0.004","90","","13483.9","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 Fe Si2 -","- C50 H58 Fe Si2 -","- C600 H696 Fe12 Si24 -","12","1.5","","Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine","Slow magnetic relaxation in Fe(II) m-terphenyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03531F","","x-ray","1.54184","CuKα","K-L~2,3~","0.1103","0.0844","","","0.1951","0.2115","","","","","","1.062","","","","has coordinates","279123","2022-11-08","23:55:50",""
"7711710","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Valentine, Andrew James; Geer, Ana M.; Blundell, Toby; Tovey, Will; Cliffe, Matthew; Davies, Edward Stephen; Argent, Stephen; Lewis, William; McMaster, Jonathan; Taylor, Laurence John; Reta, Daniel; Kays, Deborah Lorraine","Slow magnetic relaxation in Fe(II) m-terphenyl complexes","Dalton Transactions","2022","","","","","10.1039/D2DT03531F","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","279123","2022-11-08","23:55:50",""
"7711715","13.02","0.0014","22.477","0.002","14.9599","0.0016","90","","113.294","0.002","90","","4021.2","0.7","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41.8 F7 N7 O11.6 Yb -","- C35 H41.8 F7 N7 O11.6 Yb -","- C140 H167.2 F28 N28 O46.4 Yb4 -","4","1","","Kiraev, Salauat R.; Mathieu, Emilie; Kovacs, Daniel; Wells, Jordann A. L.; Tomar, Monika; Andres, Julien; Borbas, K. Eszter","Improved emission of Yb(III) ions in triazacyclononane-based macrocyclic ligands compared to cyclen-based ones.","Dalton transactions (Cambridge, England : 2003)","2022","51","43","16596","16604","10.1039/d2dt02266d","","","0.71073","MoKα","","0.0708","0.0381","","","0.0725","0.0824","","","","","","1.003","","","","has coordinates,has disorder","279125","2022-11-08","23:58:18",""
"7711716","16.0996","0.0014","17.255","0.002","20.707","0.0018","87.265","0.002","77.241","0.001","63.27","0.001","5002","0.8","296","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H69 Cl2 N14 O35 Yb2 -","- C66 H69 Cl2 N14 O35 Yb2 -","- C132 H138 Cl4 N28 O70 Yb4 -","2","1","","Kiraev, Salauat R.; Mathieu, Emilie; Kovacs, Daniel; Wells, Jordann A. L.; Tomar, Monika; Andres, Julien; Borbas, K. Eszter","Improved emission of Yb(III) ions in triazacyclononane-based macrocyclic ligands compared to cyclen-based ones.","Dalton transactions (Cambridge, England : 2003)","2022","51","43","16596","16604","10.1039/d2dt02266d","","","0.71073","MoKα","","0.0468","0.0354","","","0.0942","0.1007","","","","","","1.027","","","","has coordinates","279125","2022-11-08","23:58:18",""
"7711717","7.6005","0.0005","12.8836","0.0008","14.9593","0.0009","90","","110.513","0.004","90","","1371.96","0.15","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H27 N O6 -","- C9 H27 N O6 -","- C36 H108 N4 O24 -","4","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.0669","0.0431","","","0.1106","0.1231","","","","","","1.063","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711718","14.273","0.011","14.505","0.011","14.999","0.011","90","","103.246","0.015","90","","3023","4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H54 N2 O14 -","- C19 H54 N2 O14 -","- C76 H216 N8 O56 -","4","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.119","0.0549","","","0.1266","0.1703","","","","","","1.015","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711719","18.5107","0.0013","13.3985","0.0007","22.2321","0.0012","90","","106.552","0.004","90","","5285.4","0.6","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H93 N3 O18 -","- C42 H93 N3 O18 -","- C168 H372 N12 O72 -","4","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.1532","0.0728","","","0.1885","0.2386","","","","","","1.056","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711720","15.8432","0.0003","12.8961","0.0002","15.5262","0.0003","90","","103.835","0.002","90","","3080.21","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H60 N2 O7 -","- C26 H60 N2 O7 -","- C104 H240 N8 O28 -","4","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","x-ray","0.71073","MoKα","","0.0573","0.0426","","","0.1012","0.1069","","","","","","1.018","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711721","15.6815","0.0012","18.0929","0.0013","14.0804","0.0011","90","","90","","90","","3994.9","0.5","223","2","223","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H64 N2 O10 -","- C34 H64 N2 O10 -","- C136 H256 N8 O40 -","4","0.5","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.1454","0.067","","","0.1702","0.221","","","","","","1.009","","","","has coordinates","279126","2022-11-08","23:59:50",""
"7711722","7.8643","0.001","9.6531","0.0012","20.203","0.002","92.593","0.005","90.061","0.005","99.413","0.005","1511.5","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H49 N7 O6 -","- C25 H49 N7 O6 -","- C50 H98 N14 O12 -","2","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.0928","0.0497","","","0.0934","0.1068","","","","","","1.018","","","","has coordinates","279126","2022-11-08","23:59:51",""
"7711723","16.4219","0.0018","15.5131","0.0014","19.111","0.002","90","","90","","90","","4868.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H44 N4 O5 -","- C21 H44 N4 O5 -","- C168 H352 N32 O40 -","8","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.0548","0.0472","","","0.1364","0.1448","","","","","","1.02","","","","has coordinates","279126","2022-11-08","23:59:51",""
"7711724","23.4624","0.0008","10.2943","0.0003","20.1369","0.0006","90","","90","","90","","4863.6","0.3","298","","298","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C55 H41 F5 Fe N2 O2 P2 Pd S -","- C55 H41 F5 Fe N2 O2 P2 Pd S -","- C220 H164 F20 Fe4 N8 O8 P8 Pd4 S4 -","4","1","","Villalba, Francisco; Albéniz, Ana C.","Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors","Dalton Transactions","2022","","","","","10.1039/D2DT03251A","","x-ray","0.71073","MoKα","","0.0575","0.0355","","","0.056","0.0651","","","","","","1.055","","","","has coordinates","279127","2022-11-09","00:01:18",""
"7711725","22.5623","0.0015","11.1264","0.0008","31.1487","0.0013","90","","94.857","0.004","90","","7791.4","0.8","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Cl2 F5 O2 P2 Pd S -","- C40 H33 Cl2 F5 O2 P2 Pd S -","- C320 H264 Cl16 F40 O16 P16 Pd8 S8 -","8","1","","Villalba, Francisco; Albéniz, Ana C.","Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors","Dalton Transactions","2022","","","","","10.1039/D2DT03251A","","x-ray","0.71073","MoKα","","0.1897","0.0992","","","0.2189","0.2644","","","","","","1.016","","","","has coordinates","279127","2022-11-09","00:01:18",""
"7711726","12.907","0.0006","10.8331","0.0005","31.6024","0.0013","90","","100.506","0.005","90","","4344.7","0.3","298","","298","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H33 F5 Fe O2 P2 Pd S -","- C46 H33 F5 Fe O2 P2 Pd S -","- C184 H132 F20 Fe4 O8 P8 Pd4 S4 -","4","1","","Villalba, Francisco; Albéniz, Ana C.","Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors","Dalton Transactions","2022","","","","","10.1039/D2DT03251A","","x-ray","0.71073","MoKα","","0.0688","0.0417","","","0.0778","0.0907","","","","","","1.024","","","","has coordinates","279127","2022-11-09","00:01:18",""
"7711727","12.9823","0.0005","14.2919","0.0005","26.8298","0.0011","88.413","0.003","89.913","0.003","73.042","0.003","4759.7","0.3","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H37 F5 N2 O2 P2 Pd S -","- C46 H37 F5 N2 O2 P2 Pd S -","- C184 H148 F20 N8 O8 P8 Pd4 S4 -","4","2","","Villalba, Francisco; Albéniz, Ana C.","Palladium hydrazonato complexes and their role in the Pd-catalyzed cross-coupling reactions of hydrazones as carbene precursors","Dalton Transactions","2022","","","","","10.1039/D2DT03251A","","x-ray","0.71073","MoKα","","0.1515","0.0646","","","0.0967","0.1261","","","","","","0.946","","","","has coordinates","279127","2022-11-09","00:01:18",""
"7711728","11.4139","0.0002","15.3554","0.0003","28.04","0.0005","90","","90","","90","","4914.43","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tBu-PNCNP-Pd-H","","- C22 H42 N2 P2 Pd -","- C22 H42 N2 P2 Pd -","- C176 H336 N16 P16 Pd8 -","8","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0541","0.0455","","","0.1152","0.1222","","","","","","1.067","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711729","11.7159","0.0001","14.4529","0.0001","19.6929","0.0002","90","","95.123","0.001","90","","3321.25","0.05","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tBu-PNCNP-Pd-NHCOCH3","","- C28 H51 N5 O P2 Pd -","- C28 H51 N5 O P2 Pd -","- C112 H204 N20 O4 P8 Pd4 -","4","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0362","0.0326","","","0.0829","0.0849","","","","","","1.071","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711730","11.3486","0.0001","22.9353","0.0002","11.5938","0.0001","90","","95.359","0.001","90","","3004.49","0.05","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tBu-PNCNP-Pd-NO3","","- C26 H49 N3 O4 P2 Pd -","- C26 H49 N3 O4 P2 Pd -","- C104 H196 N12 O16 P8 Pd4 -","4","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0374","0.0339","","","0.0856","0.0878","","","","","","1.037","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711731","16.9062","0.0002","14.971","0.0002","21.5306","0.0003","90","","90","","90","","5449.45","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PNCNP-Pd0OH","","- C22 H48 N2 O4 P2 Pd -","- C22 H48 N2 O4 P2 Pd -","- C176 H384 N16 O32 P16 Pd8 -","8","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0358","0.0305","","","0.0754","0.0785","","","","","","1.039","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711732","15.172","0.004","18.286","0.005","18.415","0.005","118.725","0.003","99.565","0.004","99.527","0.004","4236","2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H88 Cl4 Cu4 N12 O39 -","- C65 H88 Cl4 Cu4 N12 O39 -","- C130 H176 Cl8 Cu8 N24 O78 -","2","1","","Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.","Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles","Dalton Transactions","2022","","","","","10.1039/D2DT02850F","","","0.71073","MoKα","","0.1902","0.1175","","","0.2837","0.321","","","","","","1.074","","","","has coordinates","279129","2022-11-09","00:03:45",""
"7711733","25.0069","0.0008","25.0069","0.0008","8.2746","0.0004","90","","90","","90","","5174.5","0.3","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C74 H88 Cl5 Cu4 N12 Na O34 -","- C74 H80 Cl5 Cu4 N12 Na O34 -","- C148 H160 Cl10 Cu8 N24 Na2 O68 -","2","0.25","","Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.","Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles","Dalton Transactions","2022","","","","","10.1039/D2DT02850F","","","0.71073","MoKα","","0.1555","0.1192","","","0.3178","0.3464","","","","","","1.288","","","","has coordinates","279129","2022-11-09","00:03:46",""
"7711734","8.3591","0.0018","14.062","0.003","17.681","0.003","104.148","0.005","92.767","0.005","104.97","0.005","1933.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cl2 Cu2 N6 O15 -","- C36 H42 Cl2 Cu2 N6 O15 -","- C72 H84 Cl4 Cu4 N12 O30 -","2","1","","Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.","Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles","Dalton Transactions","2022","","","","","10.1039/D2DT02850F","","","0.71073","MoKα","","0.061","0.0475","","","0.1281","0.1409","","","","","","1.075","","","","has coordinates","279129","2022-11-09","00:03:47",""
"7711735","30.897","0.005","11.6403","0.0015","24.473","0.004","90","","100.67","0.011","90","","8650","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cl2 Cu2 N6 O14 -","- C36 H40 Cl2 Cu2 N6 O14 -","- C288 H320 Cl16 Cu16 N48 O112 -","8","1","","Gogia, Alisha; Khullar, Sadhika; Chanda, Alokananda; Mandal, Sanjay K.","Effect of the flexible chain length of a dimetal subunit on the formation of 1D coordination polymers to molecular rectangles","Dalton Transactions","2022","","","","","10.1039/D2DT02850F","","","0.71073","MoKα","","0.2025","0.1485","","","0.3783","0.4164","","","","","","1.406","","","","has coordinates","279129","2022-11-09","00:03:47",""
"7711736","11.425","0.002","16.178","0.004","22.012","0.005","90","","96.707","0.008","90","","4040.7","1.5","298","2","298","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 Ag2 Cl4 F12 P0.5 S8 Sb2 -","- C74 H64 Ag2 Cl4 F12 P4 S4 Sb2 -","- C148 H128 Ag4 Cl8 F24 P8 S8 Sb4 -","2","0.5","","Wu, Wei-Hong; Gao, Yu-Quan; Lin, Yu-Fei; Yuan, Yun-Yue; Zhan, Cai-Hong; Jiang, Zhan-Guo","The mystery of Ph3PS revealed in magic-size Ag–S cluster nucleation","Dalton Transactions","2022","","","","","10.1039/D2DT03418B","","","0.71073","MoKα","","0.0718","0.0542","","","0.1496","0.1653","","","","","","1.034","","","","has coordinates","279166","2022-11-09","23:56:47",""
"7711737","34.256","0.015","9.7","0.003","15.386","0.005","90","","90","","90","","5113","3","140","2","140","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C52 H38 Cl4 Co N2 O4 Se4 -","- C52 H38 Cl4 Co N2 O4 Se4 -","- C208 H152 Cl16 Co4 N8 O16 Se16 -","4","0.5","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.1021","0.0961","","","0.2206","0.2232","","","","","","1.293","","","","has coordinates,has disorder","283225","2023-05-05","01:37:07",""
"7711738","12.8263","0.0016","20.483","0.002","21.107","0.002","90","","105.127","0.006","90","","5353.1","1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 Co N3 O6 Se4 -","- C50 H33 Co N3 O6 Se4 -","- C200 H132 Co4 N12 O24 Se16 -","4","1","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.207","0.1005","","","0.2373","0.2812","","","","","","1.032","","","","has coordinates,has disorder","283225","2023-05-05","01:37:08",""
"7711739","20.844","0.002","10.6346","0.001","19.7043","0.0018","90","","90","","90","","4367.8","0.7","120","2","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C50 H38 Co N2 O2 Se4 -","- C50 H38 Co N2 O2 Se4 -","- C200 H152 Co4 N8 O8 Se16 -","4","0.5","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.0561","0.0355","","","0.0777","0.0895","","","","","","1.116","","","","has coordinates","283225","2023-05-05","01:37:08",""
"7711740","12.9661","0.0013","17.2755","0.0018","21.367","0.002","93.261","0.004","94.806","0.004","90.356","0.004","4761.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C203 H131.53 Cl6 Co4 N20 O16.76 Se16 -","- C203 H131.528 Cl6 Co4 N20 O16.764 Se16 -","- C203 H131.528 Cl6 Co4 N20 O16.764 Se16 -","1","0.5","","Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit","Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","159","174","10.1039/d2dt02820d","","","0.71073","MoKα","","0.0866","0.056","","","0.1301","0.1445","","","","","","1.022","","","","has coordinates,has disorder","283225","2023-05-05","01:37:08",""
"7711741","7.8958","0.0004","8.1157","0.0004","19.7202","0.0009","90","","90","","90","","1263.67","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Cl2 N O2 Pt S -","- C8 H11 Cl2 N O2 Pt S -","- C32 H44 Cl8 N4 O8 Pt4 S4 -","4","1","","Ryan, Aisling L.; Northcote-Smith, Joshua; Mckeon, Aoife M.; Roe, Andrew; O’Dowd, Paul; Twamley, Brendan; Ní Chonghaile, Triona; Suntharalingam, Kogularamanan; Griffith, Darren Martin","A trans-Pt(II) hedgehog pathway inhibitor complex with cytotoxicity towards breast cancer stem cells and triple negative breast cancer cells","Dalton Transactions","2022","","","","","10.1039/D2DT02865D","","x-ray","0.71073","MoKα","K-L~3~","0.0192","0.0163","","","0.0268","0.0274","","","","","","1.091","","","","has coordinates","279219","2022-11-11","00:00:11",""
"7711742","8.787","0.003","9.901","0.002","20.617","0.006","98.136","0.01","97.555","0.007","94.64","0.008","1751.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.65 H45.5 Cl2 N5 O1.75 Pt S1.6 -","- C30.65 H45.5 Cl2 N5 O1.75 Pt S1.6 -","- C61.3 H91 Cl4 N10 O3.5 Pt2 S3.2 -","2","1","","Ryan, Aisling L.; Northcote-Smith, Joshua; Mckeon, Aoife M.; Roe, Andrew; O’Dowd, Paul; Twamley, Brendan; Ní Chonghaile, Triona; Suntharalingam, Kogularamanan; Griffith, Darren Martin","A trans-Pt(II) hedgehog pathway inhibitor complex with cytotoxicity towards breast cancer stem cells and triple negative breast cancer cells","Dalton Transactions","2022","","","","","10.1039/D2DT02865D","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0299","","","0.0658","0.0692","","","","","","1.05","","","","has coordinates,has disorder","279219","2022-11-11","00:00:11",""
"7711743","13.2552","0.0015","6.7087","0.0008","7.6337","0.0007","90","","90","","90","","678.83","0.13","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N7 O3 -","- C4 H3 N7 O3 -","- C16 H12 N28 O12 -","4","0.5","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J.","Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine","Dalton Transactions","2022","","","","","10.1039/D2DT03255D","","x-ray","0.71073","MoKα","","0.0789","0.0639","","","0.1683","0.1845","","","","","","1.04","","","","has coordinates","279220","2022-11-11","00:00:58",""
"7711744","7.7221","0.00014","8.01862","0.00017","8.13576","0.00019","111.928","0.002","103.055","0.0018","106.014","0.0017","417.51","0.02","100","0.18","100","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C4 H2 Cs N7 O3 -","- C4 H2 Cs N7 O3 -","- C8 H4 Cs2 N14 O6 -","2","1","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J.","Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine","Dalton Transactions","2022","","","","","10.1039/D2DT03255D","","x-ray","1.54184","CuKα","","0.0258","0.0256","","","0.0677","0.0678","","","","","","1.112","","","","has coordinates","279220","2022-11-11","00:00:58",""
"7711745","12.7205","0.0002","8.76982","0.00017","15.3669","0.0002","90","","90","","90","","1714.28","0.05","100","2","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J.","Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine","Dalton Transactions","2022","","","","","10.1039/D2DT03255D","","x-ray","1.54184","CuKα","","0.0341","0.0307","","","0.0786","0.0805","","","","","","1.033","","","","has coordinates","279220","2022-11-11","00:00:58",""
"7711746","10.8075","0.0003","17.3606","0.0005","13.7617","0.0004","90","","90.769","0.001","90","","2581.8","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 Dy2 F24 N4 O10 -","- C44 H22 Dy2 F24 N4 O10 -","- C88 H44 Dy4 F48 N8 O20 -","2","0.5","","Roy, Soumalya; Shukla, Pooja; Ahmed, Naushad; Du, Ming-Hao; Tarannum, Ibtesham; Kong, Xiang-Jian; Gupta, Tulika; Singh, Saurabh Kumar Kumar; Das, Sourav","Interplay between anisotropy and magnetic exchange to modulate magnetic relaxation behaviors of phenoxo bridged Dy2 dimers with axial β-diketonate co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT03117E","","","0.71073","MoKα","","0.0441","0.0358","","","0.0964","0.1035","","","","","","1.035","","","","has coordinates","279221","2022-11-11","00:01:52",""
"7711747","10.559","0.003","17.123","0.003","12.969","0.002","90","","91.215","0.014","90","","2344.3","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 Dy2 F12 N4 O10 -","- C44 H28 Dy2 F12 N4 O10 -","- C88 H56 Dy4 F24 N8 O20 -","2","0.5","","Roy, Soumalya; Shukla, Pooja; Ahmed, Naushad; Du, Ming-Hao; Tarannum, Ibtesham; Kong, Xiang-Jian; Gupta, Tulika; Singh, Saurabh Kumar Kumar; Das, Sourav","Interplay between anisotropy and magnetic exchange to modulate magnetic relaxation behaviors of phenoxo bridged Dy2 dimers with axial β-diketonate co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT03117E","","","0.71073","MoKα","","0.0243","0.0242","","","0.058","0.058","","","","","","1.228","","","","has coordinates,has disorder","279221","2022-11-11","00:01:53",""
"7711748","13.2636","0.0018","35.219","0.005","13.709","0.002","90","","97.401","0.003","90","","6350.5","1.6","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Dy2 N5 O11 -","- C57 H75 Dy2 N5 O11 -","- C228 H300 Dy8 N20 O44 -","4","1","","Roy, Soumalya; Shukla, Pooja; Ahmed, Naushad; Du, Ming-Hao; Tarannum, Ibtesham; Kong, Xiang-Jian; Gupta, Tulika; Singh, Saurabh Kumar Kumar; Das, Sourav","Interplay between anisotropy and magnetic exchange to modulate magnetic relaxation behaviors of phenoxo bridged Dy2 dimers with axial β-diketonate co-ligands","Dalton Transactions","2022","","","","","10.1039/D2DT03117E","","","0.71073","MoKα","","0.0608","0.0571","","","0.1226","0.125","","","","","","1.21","","","","has coordinates","279221","2022-11-11","00:01:53",""
"7711749","12.904","0.003","13.16","0.003","16.64","0.004","90","","105.465","0.004","90","","2723.4","1.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 P2 Pd S -","- C32 H26 N2 P2 Pd S -","- C128 H104 N8 P8 Pd4 S4 -","4","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","","0.71073","MoKα","","0.0617","0.0368","","","0.0812","0.0872","","","","","","0.94","","","","has coordinates","279239","2022-11-12","00:03:18",""
"7711750","9.387","0.003","15.923","0.006","16.389","0.006","60.702","0.005","78.798","0.006","89.205","0.006","2086.1","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 N4 P2 Pd2 S2 -","- C50 H38 N4 P2 Pd2 S2 -","- C100 H76 N8 P4 Pd4 S4 -","2","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","","0.71073","MoKα","","0.0883","0.0452","","","0.0772","0.0822","","","","","","0.789","","","","has coordinates","279239","2022-11-12","00:03:19",""
"7711751","13.321","0.003","12.444","0.003","24.332","0.006","90","","97.025","0.004","90","","4003.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H23 Cl11 Hg N6 Pd S -","- C34 H23 Cl11 Hg N6 Pd S -","- C136 H92 Cl44 Hg4 N24 Pd4 S4 -","4","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","","0.71073","MoKα","","0.0755","0.0387","","","0.0609","0.0655","","","","","","0.798","","","","has coordinates","279239","2022-11-12","00:03:19",""
"7711752","14.2842","0.0016","14.4067","0.0008","15.4064","0.0012","90","","102.516","0.008","90","","3095.1","0.5","230","","230","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C35 H32 N2 P2 Pd S -","- C35 H32 N2 P2 Pd S -","- C140 H128 N8 P8 Pd4 S4 -","4","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","","0.71073","MoKα","","0.1483","0.0577","","","0.1029","0.1342","","","","","","0.914","","","","has coordinates","279239","2022-11-12","00:03:19",""
"7711753","12.5737","0.0001","8.7917","0.0001","18.8453","0.0002","90","","94.999","0.001","90","","2075.31","0.04","100.1","0.5","100.1","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A.","Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02681C","","x-ray","1.54184","CuKα","","0.0497","0.0464","","","0.1249","0.1285","","","","","","1.039","","","","has coordinates","279239","2022-11-12","00:03:19",""
"7711754","13.7163","0.0002","20.0068","0.0003","16.7064","0.0002","90","","109.234","0.001","90","","4328.65","0.11","295.76","0.1","295.76","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 Cu Fe N3 O4 P2 -","- C48 H41 Cu Fe N3 O4 P2 -","- C192 H164 Cu4 Fe4 N12 O16 P8 -","4","1","","Zhong, Jingjing; Hong, Zhaoguo; Huang, Sudi; Zhong, Qiongqiong; Zhang, Liangliang; Zhao, Shulin; Liang, Hong; Huang, Fu-Ping","A triphenylphosphine coordinated Cu(i) Fenton-like agent with ferrocene moieties for enhanced chemodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT03088H","","x-ray","1.54184","CuKα","","0.0571","0.0474","","","0.1229","0.1286","","","","","","1.039","","","","has coordinates","279274","2022-11-15","00:07:17",""
"7711755","11.736","0.0002","12.9128","0.0003","15.1245","0.0002","80.472","0.001","82.941","0.001","65.549","0.002","2053.92","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H82 Cu2 N6 O10 P4 -","- C90 H82 Cu2 N6 O10 P4 -","- C90 H82 Cu2 N6 O10 P4 -","1","0.5","","Zhong, Jingjing; Hong, Zhaoguo; Huang, Sudi; Zhong, Qiongqiong; Zhang, Liangliang; Zhao, Shulin; Liang, Hong; Huang, Fu-Ping","A triphenylphosphine coordinated Cu(i) Fenton-like agent with ferrocene moieties for enhanced chemodynamic therapy","Dalton Transactions","2022","","","","","10.1039/D2DT03088H","","x-ray","1.54184","CuKα","","0.0574","0.0491","","","0.143","0.1539","","","","","","1.124","","","","has coordinates","279274","2022-11-15","00:07:17",""
"7711756","9.1142","0.0002","11.0375","0.0002","12.2193","0.0003","116.175","0.002","98.184","0.002","95.091","0.002","1075.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cl16 N4 W -","- C26 H44 Cl16 N4 W -","- C26 H44 Cl16 N4 W -","1","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0253","0.0251","","","0.0652","0.0653","","","","","","1.124","","","","has coordinates","279275","2022-11-15","00:11:03",""
"7711757","11.629","0.0002","19.3196","0.0002","16.1826","0.0002","90","","105.23","0.002","90","","3508.02","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Cl4 Mo N2 S -","- C31 H46 Cl4 Mo N2 S -","- C124 H184 Cl16 Mo4 N8 S4 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0447","0.0391","","","0.1002","0.1048","","","","","","1.047","","","","has coordinates,has disorder","279275","2022-11-15","00:11:03",""
"7711758","12.4857","0.0001","12.6008","0.0002","15.263","0.0002","76.03","0.001","82.051","0.001","75.788","0.001","2250.99","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Cl4 Mo N4 -","- C48 H54 Cl4 Mo N4 -","- C96 H108 Cl8 Mo2 N8 -","2","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0313","0.0299","","","0.0786","0.0796","","","","","","1.084","","","","has coordinates","279275","2022-11-15","00:11:03",""
"7711759","47.2641","0.0003","47.2641","0.0003","14.0081","0.0001","90","","90","","120","","27100.2","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H78 Cl4 Mo N4 -","- C60 H78 Cl4 Mo N4 -","- C1080 H1404 Cl72 Mo18 N72 -","18","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0418","0.039","","","0.1043","0.1062","","","","","","1.044","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711760","8.7752","0.0001","21.0448","0.0002","19.7355","0.0002","90","","95.969","0.001","90","","3624.84","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 Cl8 N4 P2 W2 -","- C67 H98 Cl8 N4 P2 W2 -","- C134 H196 Cl16 N8 P4 W4 -","2","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0356","0.0321","","","0.083","0.0852","","","","","","1.063","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711761","9.971","0.0001","12.7873","0.0002","22.6725","0.0003","90","","99.933","0.001","90","","2847.46","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl4 Mo N2 S -","- C25 H34 Cl4 Mo N2 S -","- C100 H136 Cl16 Mo4 N8 S4 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0443","0.0398","","","0.1039","0.107","","","","","","1.073","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711762","10.8901","0.0001","20.5337","0.0001","13.2841","0.0001","90","","103.976","0.001","90","","2882.58","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl4 N2 S W -","- C25 H34 Cl4 N2 S W -","- C100 H136 Cl16 N8 S4 W4 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.0173","0.0155","","","0.0356","0.036","","","","","","1.074","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711763","17.6541","0.0001","13.2397","0.0001","19.8834","0.0001","90","","93.568","0.001","90","","4638.44","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 Cl4 Mo N3 -","- C47 H67 Cl4 Mo N3 -","- C188 H268 Cl16 Mo4 N12 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0372","0.0348","","","0.1167","0.1204","","","","","","1.021","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711764","10.429","0.0003","19.2372","0.0005","13.3968","0.0004","90","","106.711","0.003","90","","2574.22","0.13","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H73 Cl4 N3 W -","- C53 H73 Cl4 N3 W -","- C106 H146 Cl8 N6 W2 -","2","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.0404","0.0303","","","0.068","0.0728","","","","","","1.03","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711765","10.9151","0.0001","13.0793","0.0001","19.4782","0.0002","90","","94.371","0.001","90","","2772.66","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl4 Mo N3 -","- C26 H29 Cl4 Mo N3 -","- C104 H116 Cl16 Mo4 N12 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0412","0.0396","","","0.1039","0.1051","","","","","","1.047","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711766","11.707","0.0001","13.8984","0.0001","20.9439","0.0002","90","","104.642","0.001","90","","3297.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H76 Cl8 N8 W2 -","- C63 H76 Cl8 N8 W2 -","- C126 H152 Cl16 N16 W4 -","2","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0367","0.034","","","0.0874","0.0899","","","","","","1.033","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711767","47.1426","0.0004","47.1426","0.0004","13.966","0.0001","90","","90","","120","","26880","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H78 Cl4 N4 W -","- C60 H78 Cl4 N4 W -","- C1080 H1404 Cl72 N72 W18 -","18","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.024","0.0215","","","0.0553","0.0561","","","","","","1.03","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711768","10.0173","0.0001","17.6425","0.0002","25.2649","0.0003","69.869","0.001","80.72","0.001","81.98","0.001","4120.38","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C177 H180 Cl16 N8 P4 W4 -","- C177 H180 Cl16 N8 P4 W4 -","- C177 H180 Cl16 N8 P4 W4 -","1","0.5","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0419","0.0363","","","0.0825","0.0849","","","","","","1.08","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711769","10.9513","0.0002","13.1018","0.0002","19.4111","0.0003","90","","94.394","0.001","90","","2776.95","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl4 N3 W -","- C26 H29 Cl4 N3 W -","- C104 H116 Cl16 N12 W4 -","4","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.0391","0.0293","","","0.064","0.0676","","","","","","1.042","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711770","12.5166","0.0001","12.6137","0.0001","15.2964","0.0001","76.148","0.001","81.794","0.001","75.425","0.001","2260.55","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 Cl4 N4 W -","- C48 H54 Cl4 N4 W -","- C96 H108 Cl8 N8 W2 -","2","1","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","0.71073","MoKα","","0.0232","0.0224","","","0.0454","0.0457","","","","","","1.03","","","","has coordinates","279275","2022-11-15","00:11:04",""
"7711771","20.5525","0.0001","25.8044","0.0002","25.933","0.0002","114.543","0.001","105.947","0.001","94.478","0.001","11735.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109 H146 Cl12 N12 W3 -","- C109 H146 Cl12 N12 W3 -","- C436 H584 Cl48 N48 W12 -","4","2","","Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)","Dalton Transactions","2022","","","","","10.1039/D2DT03409C","","","1.54184","CuKα","","0.0411","0.0349","","","0.084","0.0868","","","","","","1.01","","","","has coordinates,has disorder","279275","2022-11-15","00:11:04",""
"7711772","12.134","0.002","12.569","0.003","13.561","0.003","101.43","0.03","109.82","0.03","99.23","0.03","1848.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H41.5 Cl12.5 Mn N8 O8 Tb2 -","- C73.5 H41.5 Cl12.5 Mn N8 O8 Tb2 -","- C73.5 H41.5 Cl12.5 Mn N8 O8 Tb2 -","1","0.5","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7108","synchrotron","","0.037","0.0342","","","0.0941","0.0954","","","","","","1.054","","","","has coordinates,has disorder","279302","2022-11-15","23:52:51",""
"7711773","11.983","0.002","12.57","0.003","13.523","0.003","101.43","0.03","109.71","0.03","99.18","0.03","1822.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H41 Cl11 Mn N8 O8 Yb2 -","- C73 H41 Cl11 Mn N8 O8 Yb2 -","- C73 H41 Cl11 Mn N8 O8 Yb2 -","1","0.5","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7108","synchrotron","","0.0311","0.0306","","","0.0854","0.0857","","","","","","1.092","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711774","14.026","0.003","20.243","0.004","31.359","0.006","90","","102.23","0.03","90","","8702","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H65 Cl9 Dy3 N11 O10 -","- C90 H65 Cl9 Dy3 N11 O10 -","- C360 H260 Cl36 Dy12 N44 O40 -","4","1","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7109","synchrotron","","0.1248","0.0593","","","0.123","0.151","","","","","","1.009","","","","has coordinates","279302","2022-11-15","23:52:52",""
"7711775","22.672","0.005","22.311","0.005","22.597","0.005","90","","107.68","0.03","90","","10890","5","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H68 Cl4 N5 O6 Yb -","- C52 H56 Cl4 N5 O4 Yb -","- C416 H448 Cl32 N40 O32 Yb8 -","8","2","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7108","synchrotron","","0.0997","0.0736","","","0.1835","0.1974","","","","","","1.045","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711776","22.599","0.005","22.428","0.005","22.699","0.005","90","","107.79","0.03","90","","10955","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl4 Dy N5 O7 -","- C52 H56 Cl4 Dy N5 O4 -","- C416 H448 Cl32 Dy8 N40 O32 -","8","2","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7108","synchrotron","","0.0929","0.0653","","","0.1619","0.1826","","","","","","1.065","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711777","22.593","0.005","22.512","0.005","22.757","0.005","90","","107.66","0.03","90","","11029","5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Cl4 Er N5 O8 -","- C52 H56 Cl4 Er N5 O4 -","- C416 H448 Cl32 Er8 N40 O32 -","8","2","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.71073","MoKα","","0.0404","0.0391","","","0.1127","0.1138","","","","","","1.075","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711778","22.4676","0.0003","22.5189","0.0002","22.72","0.0003","90","","107.882","0.002","90","","10939.8","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Cl4 Ho N5 O8 -","- C52 H56 Cl4 Ho N5 O4 -","- C416 H448 Cl32 Ho8 N40 O32 -","8","2","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","x-ray","0.71073","MoKα","","0.0603","0.0355","","","0.0764","0.0823","","","","","","1.084","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711779","22.534","0.005","22.576","0.005","22.796","0.005","90","","107.71","0.03","90","","11047","5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Cl4 Eu N5 O7 -","- C52 H56 Cl4 Eu N5 O4 -","- C416 H448 Cl32 Eu8 N40 O32 -","8","2","","Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger","Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02616C","","","0.7108","synchrotron","","0.0638","0.0467","","","0.1253","0.1342","","","","","","1.038","","","","has coordinates,has disorder","279302","2022-11-15","23:52:52",""
"7711780","15.1069","0.0004","15.3402","0.0005","21.6504","0.0006","90","","90","","90","","5017.3","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 F6 Fe N7 P3 Ru S2 -","- C42 H46 F6 Fe N7 P3 Ru S2 -","- C168 H184 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0673","0.0638","","","0.163","0.1667","","","","","","1.067","","","","has coordinates","279335","2022-11-17","00:00:45",""
"7711781","15.5201","0.0005","15.2285","0.0004","22.4356","0.0008","90","","106.738","0.004","90","","5077.9","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Fe I N7 P2 Ru S2 -","- C48 H58 Fe I N7 P2 Ru S2 -","- C192 H232 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0479","0.0363","","","0.0847","0.0896","","","","","","1.04","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711782","11.218","0.0003","19.4971","0.0004","22.9165","0.0005","90","","99.516","0.002","90","","4943.3","0.2","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H54 Fe I N7 P2 Ru S2 -","- C46 H54 Fe I N7 P2 Ru S2 -","- C184 H216 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0242","0.0226","","","0.0549","0.0554","","","","","","1.017","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711783","15.3525","0.0005","15.8856","0.0007","21.9881","0.0007","90","","90","","90","","5362.5","0.3","293","2","293","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4 -","- C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4 -","- C178 H204 Cl4 F24 Fe4 N28 P12 Ru4 S8 -","2","0.5","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0855","0.0688","","","0.1789","0.1922","","","","","","1.043","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711784","15.8198","0.0003","17.0381","0.0003","19.8147","0.0003","90","","102.958","0.002","90","","5204.83","0.16","293","","293","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 F6 Fe N7 O0.5 P3 Ru S2 -","- C46 H54 F6 Fe N7 P3 Ru S2 -","- C184 H216 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0549","0.0494","","","0.1367","0.1432","","","","","","1.044","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711785","15.8862","0.0004","15.2435","0.0004","22.9894","0.0005","90","","108.041","0.003","90","","5293.4","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 Fe I N7 P2 Ru S2 -","- C50 H62 Fe I N7 P2 Ru S2 -","- C200 H248 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0341","0.0294","","","0.0745","0.077","","","","","","1.034","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711786","11.5914","0.0002","23.9157","0.0005","18.2913","0.0004","90","","107.362","0.002","90","","4839.62","0.18","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 F6 Fe N7 P3 Ru S2 -","- C43 H48 F6 Fe N7 P3 Ru S2 -","- C172 H192 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0876","0.0565","","","0.132","0.1465","","","","","","1.056","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711787","15.7191","0.0003","17.2564","0.0004","19.6213","0.0004","90","","101.99","0.002","90","","5206.26","0.19","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 F6 Fe N7 P3 Ru S2 -","- C45 H52 F6 Fe N7 P3 Ru S2 -","- C180 H208 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0564","0.0509","","","0.1451","0.151","","","","","","1.02","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711788","15.1864","0.0003","15.4588","0.0003","23.6654","0.0006","90","","90","","90","","5555.8","0.2","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H66 Fe I N7 P2 Ru S2 -","- C52 H66 Fe I N7 P2 Ru S2 -","- C208 H264 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0598","0.0458","","","0.0929","0.0982","","","","","","1.041","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711789","9.8749","0.0019","15.155","0.003","9.9695","0.0019","90","","109.836","0.003","90","","1403.5","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N P2 Ru -","- C33 H31 N P2 Ru -","- C66 H62 N2 P4 Ru2 -","2","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","","0.71073","MoKα","","0.019","0.0188","","","0.046","0.0461","","","","","","1.051","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711790","16.1713","0.0006","17.1693","0.0007","19.7929","0.0007","90","","103.023","0.004","90","","5354.2","0.4","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 F6 Fe N7 P3 Ru S2 -","- C48 H58 F6 Fe N7 P3 Ru S2 -","- C192 H232 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0538","0.0452","","","0.1267","0.1348","","","","","","1.025","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711791","16.5744","0.0004","19.3582","0.0004","16.0088","0.0003","90","","103.576","0.002","90","","4992.92","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 F6 Fe N7 P3 Ru S2 -","- C41 H44 F6 Fe N7 P3 Ru S2 -","- C164 H176 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0468","0.0393","","","0.0964","0.1006","","","","","","1.046","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711792","16.1976","0.0004","17.4678","0.0005","19.4441","0.0004","90","","102.356","0.002","90","","5374","0.2","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 F6 Fe N7 P3 Ru S2 -","- C47 H56 F6 Fe N7 P3 Ru S2 -","- C188 H224 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0553","0.0458","","","0.1319","0.1396","","","","","","1.022","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711793","14.677","0.005","12.168","0.004","19.926","0.007","90","","100.38","0.006","90","","3500","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl2 N P2 Ru -","- C38 H41 Cl2 N P2 Ru -","- C152 H164 Cl8 N4 P8 Ru4 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","","0.71073","MoKα","","0.0346","0.0338","","","0.0763","0.0767","","","","","","1.184","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711794","12.923","0.002","9.1065","0.0014","25.677","0.004","90","","90.032","0.003","90","","3021.8","0.8","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl2 N P2 Ru -","- C33 H31 Cl2 N P2 Ru -","- C132 H124 Cl8 N4 P8 Ru4 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","","0.71073","MoKα","","0.0364","0.0337","","","0.0816","0.0839","","","","","","1.06","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711797","11.035","0.002","11.668","0.002","13.378","0.002","90","","98.89","0.006","90","","1701.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl N2 Sn -","- C15 H23 Cl N2 Sn -","- C60 H92 Cl4 N8 Sn4 -","4","1","","Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Stannylene cyanide and its use as a cyanosilylation catalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16906","16914","10.1039/d2dt02721f","","","0.71073","MoKα","","0.1299","0.0444","","","0.0644","0.0804","","","","","","0.985","","","","has coordinates","279338","2022-11-17","00:04:35",""
"7711798","9.766","0.002","10.098","0.002","10.208","0.002","97.537","0.007","106.002","0.007","96.018","0.007","948.8","0.3","100","2","99.95","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N3 Sn -","- C19 H27 N3 Sn -","- C38 H54 N6 Sn2 -","2","1","","Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Stannylene cyanide and its use as a cyanosilylation catalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16906","16914","10.1039/d2dt02721f","","","0.71073","MoKα","","0.026","0.025","","","0.0703","0.0717","","","","","","1.0356","","","","has coordinates","279338","2022-11-17","00:04:36",""
"7711799","8.6894","0.0004","11.1113","0.0005","15.0434","0.0007","96.817","0.003","105.219","0.002","107.753","0.002","1303.18","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H41 N3 Si2 Sn -","- C21 H41 N3 Si2 Sn -","- C42 H82 N6 Si4 Sn2 -","2","1","","Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Stannylene cyanide and its use as a cyanosilylation catalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16906","16914","10.1039/d2dt02721f","","","0.71073","MoKα","","0.0304","0.0257","","","0.0602","0.0631","","","","","","1.0547","","","","has coordinates","279338","2022-11-17","00:04:36",""
"7711800","7.188","0.0008","18.634","0.002","27.924","0.003","90","","90","","90","","3740.2","0.7","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N6 O2 Sn2 -","- C34 H50 N6 O2 Sn2 -","- C136 H200 N24 O8 Sn8 -","4","0.5","","Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Stannylene cyanide and its use as a cyanosilylation catalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16906","16914","10.1039/d2dt02721f","","","0.71073","MoKα","","0.0558","0.0311","","","0.0649","0.0766","","","","","","1.0595","","","","has coordinates","279338","2022-11-17","00:04:36",""
"7711801","3.95","0.0008","29.93","0.006","12.04","0.002","90","","92.96","0.03","90","","1421.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Cu2 O5 -","- C15 H8 Cu2 O5 -","- C60 H32 Cu8 O20 -","4","1","","Bilgic, Mehmet Bilgehan; Kocaarslan, Azra; Kaya, Kerem; Atsay, Armağan; Svensson Grape, Erik; Chen, Jianhong; Yagci, Yusuf","An Unusual Zig-Zag 2D Copper(I) Coordination Polymer as an Outstanding Catalyst for Azide-Alkyne “Click” Chemistry at Room Temperature","Dalton Transactions","2022","","","","","10.1039/D2DT03006C","","","0.0251","electron","","0.1943","0.1854","","","0.4404","0.4459","","","","","","1.127","","","","has coordinates","279339","2022-11-17","00:05:13",""
"7711802","9.6018","0.0002","21.7017","0.0005","13.7591","0.0003","90","","107.146","0.002","90","","2739.64","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl2 Dy N5 O3 -","- C20 H22 Cl2 Dy N6 O3 -","- C80 H88 Cl8 Dy4 N24 O12 -","4","1","","Li, Min; Han, Jiayi; Wu, Haipeng; Du, Yi-En; Liu, Yufang; Chen, Yongqiang; Chen, Sanping","Effects of strong coordination bonds at the axial or equatorial positions on magnetic relaxation for pentagonal bipyramidal dysprosium(III) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16964","16972","10.1039/d2dt02402k","","x-ray","1.54184","CuKα","","0.072","0.061","","","0.1512","0.156","","","","","","1.095","","","","has coordinates","279340","2022-11-17","00:06:11",""
"7711803","9.6107","0.0018","22.067","0.004","13.874","0.003","90","","107.554","0.003","90","","2805.4","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl3 Dy N6 O4 -","- C20 H22 Cl3 Dy N6 O3 -","- C80 H88 Cl12 Dy4 N24 O12 -","4","1","","Li, Min; Han, Jiayi; Wu, Haipeng; Du, Yi-En; Liu, Yufang; Chen, Yongqiang; Chen, Sanping","Effects of strong coordination bonds at the axial or equatorial positions on magnetic relaxation for pentagonal bipyramidal dysprosium(III) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16964","16972","10.1039/d2dt02402k","","","0.71073","MoKα","","0.1156","0.0691","","","0.1396","0.157","","","","","","1.084","","","","has coordinates","279340","2022-11-17","00:06:11",""
"7711804","11.2799","0.0003","21.7618","0.0006","25.8284","0.0007","73.82","0.002","82.393","0.002","82.882","0.002","6010.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H92 Cl9 Dy3 N30 O28 -","- C96 H91 Cl9 Dy3 N30 O28 -","- C192 H182 Cl18 Dy6 N60 O56 -","2","1","","Li, Min; Han, Jiayi; Wu, Haipeng; Du, Yi-En; Liu, Yufang; Chen, Yongqiang; Chen, Sanping","Effects of strong coordination bonds at the axial or equatorial positions on magnetic relaxation for pentagonal bipyramidal dysprosium(III) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16964","16972","10.1039/d2dt02402k","","x-ray","1.54184","CuKα","","0.0977","0.0625","","","0.167","0.1887","","","","","","1.008","","","","has coordinates,has disorder","279340","2022-11-17","00:06:12",""
"7711806","32.545","0.005","13.0056","0.0018","17.608","0.003","90","","97.278","0.003","90","","7393","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Mo N O3 Si2 -","- C38 H51 Mo N O3 Si2 -","- C304 H408 Mo8 N8 O24 Si16 -","8","1","","Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji","Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone","Dalton Transactions","2022","","","","","10.1039/D2DT02560D","","","0.71073","MoKα","","0.0453","0.0351","","","0.0885","0.0921","","","","","","0.974","","","","has coordinates","279408","2022-11-18","23:47:42",""
"7711807","11.3269","0.0017","20.581","0.003","13.585","0.002","90","","105.485","0.004","90","","3052","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 O4 Si W -","- C33 H42 O4 Si W -","- C132 H168 O16 Si4 W4 -","4","1","","Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji","Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone","Dalton Transactions","2022","","","","","10.1039/D2DT02560D","","","0.71073","MoKα","","0.028","0.0232","","","0.0559","0.0579","","","","","","1.043","","","","has coordinates","279408","2022-11-18","23:47:43",""
"7711808","12.343","0.003","14.711","0.004","16.766","0.004","90","","96.3","0.005","90","","3025.9","1.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Mo O4 Si -","- C33 H42 Mo O4 Si -","- C132 H168 Mo4 O16 Si4 -","4","1","","Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji","Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone","Dalton Transactions","2022","","","","","10.1039/D2DT02560D","","","0.71073","MoKα","","0.0809","0.0575","","","0.1415","0.1544","","","","","","1.019","","","","has coordinates","279408","2022-11-18","23:47:43",""
"7711809","28.053","0.003","28.053","0.003","9.461","0.0013","90","","90","","90","","7445.5","1.5","130","2","130","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H55 Mo O3 P Si2 -","- C36 H55 Mo O3 P Si2 -","- C288 H440 Mo8 O24 P8 Si16 -","8","1","","Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji","Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone","Dalton Transactions","2022","","","","","10.1039/D2DT02560D","","","0.71073","MoKα","","0.0442","0.0363","","","0.0855","0.0887","","","","","","1.046","","","","has coordinates","279408","2022-11-18","23:47:43",""
"7711810","17.3378","0.0007","13.267","0.0005","12.2141","0.0004","90","","97.199","0.001","90","","2787.35","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Au2 N6 P2 -","- C30 H24 Au2 N6 P2 -","- C120 H96 Au8 N24 P8 -","4","0.5","","Shen, Yu-Hsuan; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk; Veige, Adam Steven","iClick Synthesis of Network Metallopolymers","Dalton Transactions","2022","","","","","10.1039/D2DT01624A","","","0.71073","MoKα","","0.0324","0.0283","","","0.0621","0.064","","","","","","1.142","","","","has coordinates","279409","2022-11-18","23:48:50",""
"7711811","17.554","0.002","33.635","0.005","18.811","0.003","90","","94.532","0.002","90","","11072","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H76 Au4 Cl4 N4 O0.25 P4 -","- C105 H76 Au4 P4 -","- C420 H304 Au16 P16 -","4","1","","Shen, Yu-Hsuan; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk; Veige, Adam Steven","iClick Synthesis of Network Metallopolymers","Dalton Transactions","2022","","","","","10.1039/D2DT01624A","","","0.71073","MoKα","","0.1588","0.0979","","","0.2472","0.2689","","","","","","1.476","","","","has coordinates,has disorder","279409","2022-11-18","23:48:51",""
"7711812","15.7531","0.0018","12.4721","0.0013","20.867","0.002","90","","108.246","0.006","90","","3893.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 F28 Mn3 Na4 O18 -","- C18 F28 Mn3 Na4 O18 -","- C72 F112 Mn12 Na16 O72 -","4","1","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.0542","0.0349","","","0.0757","0.0835","","","","","","1.042","","","","has coordinates,has disorder","279410","2022-11-18","23:50:18",""
"7711813","11.442","0.004","10.021","0.003","8.688","0.005","90","","128.044","0.005","90","","784.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H0.5 F3 K0.5 O2 -","- C2 H0.5 F3 K0.5 O2 -","- C16 H4 F24 K4 O16 -","8","1","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.0419","0.0311","","","0.0649","0.0692","","","","","","1.037","","","","has coordinates","279410","2022-11-18","23:50:19",""
"7711814","12.4013","0.001","14.448","0.0012","7.3981","0.0006","90","","90","","90","","1325.55","0.19","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 F10 K2 Mn O6 -","- C6 F10 K2 Mn O6 -","- C24 F40 K8 Mn4 O24 -","4","0.5","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.1168","0.1028","","","0.2461","0.2518","","","","","","1.27","","","","has coordinates,has disorder","279410","2022-11-18","23:50:19",""
"7711815","17.5481","0.0009","13.7303","0.0007","19.5024","0.0009","90","","109.993","0.002","90","","4415.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 F14 K2 Mn1.5 O9 -","- C9.0005 F14.0015 K2 Mn1.5 O9 -","- C72.004 F112.012 K16 Mn12 O72 -","8","2","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.065","0.0346","","","0.0661","0.0771","","","","","","1.008","","","","has coordinates,has disorder","279410","2022-11-18","23:50:19",""
"7711816","18.0511","0.0009","13.1715","0.0006","20.1613","0.001","90","","114.826","0.002","90","","4350.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 Cs4 F28 Mn3 O18 -","- C18.001 Cs4.0003 F28.003 Mn3 O18 -","- C72.004 Cs16.0012 F112.012 Mn12 O72 -","4","1","","Munasinghe, Hashini N.; Imer, Marcos R.; Szlag, Regina G.; Suescun, Leopoldo; Rabuffetti, Federico A.","Reactivity of bi- and monometallic trifluoroacetates towards amorphous SiO2","Dalton Transactions","2022","","","","","10.1039/D2DT02822K","","","0.71073","MoKα","","0.085","0.0542","","","0.1404","0.1618","","","","","","1.039","","","","has coordinates,has disorder","279410","2022-11-18","23:50:19",""
"7711817","10.0014","0.0002","10.0014","0.0002","5.4087","0.0002","90","","90","","90","","541.02","0.03","293","2","293","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- C8 Nd O8 -","- C8 Nd O8 -","- C16 Nd2 O16 -","2","0.125","","Wang, Zhe; Liu, Zhanning; Xie, changsong; Wang, Rongming; Sun, Daofeng","Rare-earth Squarate Frameworks with scu topology","Dalton Transactions","2022","","","","","10.1039/D2DT03462J","","","1.54184","CuKα","","0.0284","0.0267","","","0.0673","0.0697","","","","","","1.047","","","","has coordinates","279445","2022-11-21","23:50:40",""
"7711818","20.222","0.0005","20.222","0.0005","59.983","0.002","90","","90","","120","","21242.6","1","100.01","0.1","100.01","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C276 H272 Ag11.55 Cu7.45 F18 P6 Sb3 -","- C275.999 H271.998 Ag11.531 Cu7.469 F17.9992 P6 Sb3 -","- C827.996 H815.995 Ag34.593 Cu22.407 F53.9976 P18 Sb9 -","3","0.333333","","Gao, Yan-Li; Sun, Xueli; Tang, Xiongkai; Xie, Zhenlang; Tian, Guolong; Nan, Zi-Ang; Yang, Huayan; Shen, Hui","An alkynyl-protected Ag<sub>13-<i>x</i></sub>Cu<sub>6+<i>x</i></sub> nanocluster for catalytic hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","52","57","10.1039/d2dt03295c","","x-ray","1.54184","CuKα","","0.1271","0.0686","","","0.1703","0.2075","","","","","","1","","","","has coordinates,has disorder","283226","2023-05-05","01:37:31",""
"7711819","8.5418","0.0009","10.8038","0.001","26.763","0.003","90","","92.943","0.004","90","","2466.5","0.4","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl2 N5 Ni O10 -","- C16 H27 Cl2 N5 Ni O10 -","- C64 H108 Cl8 N20 Ni4 O40 -","4","1","","Chen, Xiaoli; Liao, Xuehong; Dai, Chang; Zhu, Lihong; Li, Hong; Yang, Xueli; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Modulating the electrocatalytic activity of mononuclear nickel complexes toward water oxidation by tertiary amine group","Dalton Transactions","2022","","","","","10.1039/D2DT03381J","","","0.71073","MoKα","","0.0551","0.0506","","","0.1523","0.1574","","","","","","1.062","","","","has coordinates","279447","2022-11-21","23:52:22",""
"7711820","9.414","0.003","11.334","0.003","13.582","0.003","86.743","0.009","73.749","0.01","66.423","0.009","1272.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Cl2 N6 Ni O8 -","- C19 H28 Cl2 N6 Ni O8 -","- C38 H56 Cl4 N12 Ni2 O16 -","2","1","","Chen, Xiaoli; Liao, Xuehong; Dai, Chang; Zhu, Lihong; Li, Hong; Yang, Xueli; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Modulating the electrocatalytic activity of mononuclear nickel complexes toward water oxidation by tertiary amine group","Dalton Transactions","2022","","","","","10.1039/D2DT03381J","","","0.71073","MoKα","","0.0791","0.0602","","","0.1664","0.185","","","","","","1.027","","","","has coordinates","279447","2022-11-21","23:52:22",""
"7711821","8.739","0.007","17.836","0.014","15.852","0.014","90","","100.78","0.03","90","","2427","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N5 O9 Zn -","- C17 H27 Cl2 N5 O9 Zn -","- C68 H108 Cl8 N20 O36 Zn4 -","4","1","","Chen, Xiaoli; Liao, Xuehong; Dai, Chang; Zhu, Lihong; Li, Hong; Yang, Xueli; Ruan, Zhijun; Liang, Xiangming; Lin, Junqi","Modulating the electrocatalytic activity of mononuclear nickel complexes toward water oxidation by tertiary amine group","Dalton Transactions","2022","","","","","10.1039/D2DT03381J","","","0.71073","MoKα","","0.0407","0.0331","","","0.0879","0.0942","","","","","","1.013","","","","has coordinates","279447","2022-11-21","23:52:22",""
"7711822","19.652","0.0007","13.9047","0.0004","9.4467","0.0003","90","","97.452","0.002","90","","2559.56","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 I4 N10 O2 Pd2 -","- C44 H42 I4 N10 O2 Pd2 -","- C88 H84 I8 N20 O4 Pd4 -","2","0.5","","Hung, Hsiu-Yu; Hsu, Yung-Hsi; Pi, Hui-Chu; Hu, Ching-Han; Lee, Hon Man","Direct arylation reaction catalyzed by a PEPPSI-type palladium complex with an amido-functionalized triazole-based mesoionic carbene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT03118C","","x-ray","0.71073","MoKα","","0.1397","0.0585","","","0.1276","0.1715","","","","","","1.005","","","","has coordinates,has disorder","279448","2022-11-21","23:53:22",""
"7711823","12.9633","0.0009","7.2635","0.0005","24.2734","0.0017","90","","93.041","0.005","90","","2282.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl2 N5 O2 Pd -","- C23 H21 Cl2 N5 O2 Pd -","- C92 H84 Cl8 N20 O8 Pd4 -","4","1","","Hung, Hsiu-Yu; Hsu, Yung-Hsi; Pi, Hui-Chu; Hu, Ching-Han; Lee, Hon Man","Direct arylation reaction catalyzed by a PEPPSI-type palladium complex with an amido-functionalized triazole-based mesoionic carbene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT03118C","","x-ray","0.71073","MoKα","","0.0678","0.0446","","","0.1011","0.1128","","","","","","1.035","","","","has coordinates","279448","2022-11-21","23:53:22",""
"7711824","9.9641","0.0007","20.854","0.0016","18.8602","0.0014","90","","104.447","0.005","90","","3795.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 I N9 O2 Pd -","- C40 H38 I N9 O2 Pd -","- C160 H152 I4 N36 O8 Pd4 -","4","1","","Hung, Hsiu-Yu; Hsu, Yung-Hsi; Pi, Hui-Chu; Hu, Ching-Han; Lee, Hon Man","Direct arylation reaction catalyzed by a PEPPSI-type palladium complex with an amido-functionalized triazole-based mesoionic carbene ligand","Dalton Transactions","2022","","","","","10.1039/D2DT03118C","","x-ray","0.71073","MoKα","","0.1399","0.0776","","","0.1881","0.2191","","","","","","1.141","","","","has coordinates,has disorder","279448","2022-11-21","23:53:22",""
"7711825","13.1268","0.0016","11.2985","0.0015","18.651","0.002","90","","98.505","0.004","90","","2735.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Eu4 N12 O29 -","- C42 H30 Eu4 N12 O29 -","- C84 H60 Eu8 N24 O58 -","2","0.5","","Wang, Jie-Ru; Fu, Jin; Zhang, Yu-Juan; Liang, Jia-Chen; Zhou, Rui-Sha; Gong, Si-Min; Song, Jiang-Feng","A butterfly shaped Eu<sub>4</sub>(OH)<sub>2</sub> cluster-based luminescent metal-organic framework with Lewis basic triazole sites demonstrating turn off sensing in the presence of organic amines.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","136","146","10.1039/d2dt02792e","","","0.71073","MoKα","","0.0304","0.0248","","","0.0585","0.0601","","","","","","1.103","","","","has coordinates","283233","2023-05-05","01:40:04",""
"7711826","8.3129","0.0006","14.3595","0.0011","11.7358","0.0009","90","","91.866","0.001","90","","1400.15","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 N6 Ni O7 -","- C6 H20 N6 Ni O7 -","- C24 H80 N24 Ni4 O28 -","4","1","","Breijaert, Troy C.; Budnyak, Tetyana M.; Kessler, Vadim K.; Seisenbaeva, Gulaim A.","Tailoring a bio-based adsorbent for sequestration of late transition and rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03150g","","","0.71073","MoKα","","0.0919","0.0836","","","0.199","0.2038","","","","","","1.049","","","","has coordinates","279482","2022-11-23","00:01:17",""
"7711827","3.9893","0.0006","3.9893","0.0006","26.832","0.005","90","","90","","90","","427.02","0.12","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca2 P3 Pt7 -","- Al Ca2 P3 Pt7 -","- Al2 Ca4 P6 Pt14 -","2","0.0625","","Makhaneva, Anastasiya Yu; Zakharova, Elena Yu; Nesterenko, Sergey N.; Lyssenko, Konstantin; Kuznetsov, Alexey N.","Merging the AuCu3- and BaAl4-based structure motifs: flux-assisted synthesis, crystal, and electronic structure of Ca2Pt7XP4-δ phosphide platinides (X=Al, Ti, and Zn)","Dalton Transactions","2022","","","","","10.1039/D2DT03367D","","","0.71073","MoKα","","0.0285","0.0248","","","0.0526","0.0541","","","","","","1.069","","","","has coordinates","279518","2022-11-23","23:52:27",""
"7711828","3.9961","0.0001","3.9961","0.0001","26.9074","0.0017","90","","90","","90","","429.68","0.03","120","2","120","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ca2 P3.24 Pt7 Ti -","- Ca2 P3.24 Pt7 Ti -","- Ca4 P6.48 Pt14 Ti2 -","2","0.0625","","Makhaneva, Anastasiya Yu; Zakharova, Elena Yu; Nesterenko, Sergey N.; Lyssenko, Konstantin; Kuznetsov, Alexey N.","Merging the AuCu3- and BaAl4-based structure motifs: flux-assisted synthesis, crystal, and electronic structure of Ca2Pt7XP4-δ phosphide platinides (X=Al, Ti, and Zn)","Dalton Transactions","2022","","","","","10.1039/D2DT03367D","","","0.71073","MoKα","","0.0233","0.023","","","0.0547","0.0548","","","","","","1.171","","","","has coordinates","279518","2022-11-23","23:52:27",""
"7711829","4.002","0.0002","4.002","0.0002","26.5549","0.0017","90","","90","","90","","425.3","0.04","120","2","120","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ca2 P2.78 Pt7 Zn -","- Ca2 P2.78 Pt7 Zn -","- Ca4 P5.56 Pt14 Zn2 -","2","0.0625","","Makhaneva, Anastasiya Yu; Zakharova, Elena Yu; Nesterenko, Sergey N.; Lyssenko, Konstantin; Kuznetsov, Alexey N.","Merging the AuCu3- and BaAl4-based structure motifs: flux-assisted synthesis, crystal, and electronic structure of Ca2Pt7XP4-δ phosphide platinides (X=Al, Ti, and Zn)","Dalton Transactions","2022","","","","","10.1039/D2DT03367D","","","0.71073","MoKα","","0.0262","0.0259","","","0.0584","0.0586","","","","","","1.075","","","","has coordinates","279518","2022-11-23","23:52:27",""
"7711830","18.4987","0.0011","9.3637","0.0006","20.6165","0.001","90","","102.173","0.004","90","","3490.8","0.4","150.01","","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 P2 S -","- C36 H58 P2 S -","- C144 H232 P8 S4 -","4","0.5","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","","1.54178","CuKα","","0.0572","0.0428","","","0.1033","0.1132","","","","","","1.027","","","","has coordinates,has disorder","279519","2022-11-23","23:54:12",""
"7711831","12.9047","0.0005","20.0414","0.0008","16.354","0.0007","90","","108.973","0.003","90","","3999.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 P2 S -","- C48 H50 P2 S -","- C192 H200 P8 S4 -","4","1","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","","1.54178","CuKα","","0.0968","0.0662","","","0.1731","0.194","","","","","","1.037","","","","has coordinates,has disorder","279519","2022-11-23","23:54:12",""
"7711832","12.8943","0.0014","20.007","0.003","16.3852","0.0019","90","","108.913","0.008","90","","3998.8","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 P2 Se -","- C48 H50 P2 Se -","- C192 H200 P8 Se4 -","4","1","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","x-ray","0.71073","MoKα","","0.122","0.0484","","","0.1014","0.1136","","","","","","0.793","","","","has coordinates","279519","2022-11-23","23:54:13",""
"7711833","21.8358","0.0015","12.9906","0.0009","23.4455","0.0016","90","","95.115","0.001","90","","6624.1","0.8","149.99","","149.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H92 P2 Se -","- C78 H92 P2 Se -","- C312 H368 P8 Se4 -","4","0.5","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","","0.71073","MoKα","","0.085","0.0538","","","0.1162","0.1319","","","","","","1.034","","","","has coordinates,has disorder","279519","2022-11-23","23:54:13",""
"7711834","18.976","0.002","9.137","0.0006","20.677","0.002","90","","104.096","0.008","90","","3477.1","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 P2 Se -","- C36 H58 P2 Se -","- C144 H232 P8 Se4 -","4","0.5","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","x-ray","0.71073","MoKα","","0.0729","0.0379","","","0.0838","0.0921","","","","","","0.891","","","","has coordinates","279519","2022-11-23","23:54:13",""
"7711835","10.6443","0.0005","13.4424","0.0005","13.6754","0.0006","75.973","0.002","71.929","0.002","67.041","0.002","1696.32","0.13","150.01","","150.01","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H92 P2 Se2 -","- C78 H92 P2 Se2 -","- C78 H92 P2 Se2 -","1","0.5","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","","1.54178","CuKα","","0.0393","0.0343","","","0.0868","0.0905","","","","","","1.052","","","","has coordinates","279519","2022-11-23","23:54:13",""
"7711836","13.3067","0.0017","14.058","0.002","15.661","0.002","114.769","0.01","95.47","0.011","108.119","0.011","2440.3","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H70 O3 P2 -","- C54 H70 O3 P2 -","- C108 H140 O6 P4 -","2","1","","Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian","Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents","Dalton Transactions","2022","","","","","10.1039/D2DT03703C","","x-ray","0.71073","MoKα","","0.0866","0.0436","","","0.0972","0.1062","","","","","","0.89","","","","has coordinates","279519","2022-11-23","23:54:13",""
"7711837","11.7775","0.0008","13.4849","0.0009","14.2982","0.0009","105.076","0.002","114.08","0.002","92.307","0.002","1974.1","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","Ru-ftpy-sac-pz","","- C35.93 H24.91 N7 O6.97 Ru S2 -","- C35.931 H24.908 N7 O6.977 Ru S2 -","- C71.862 H49.816 N14 O13.954 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","","0.71073","MoKα","","0.1093","0.0671","","","0.161","0.1826","","","","","","1.01","","","","has coordinates,has disorder","279520","2022-11-23","23:56:04",""
"7711838","12.3256","0.0013","12.6904","0.0014","13.522","0.0013","82.577","0.004","77.715","0.004","61.308","0.004","1812","0.3","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","Ru-ftpy-sac-in","","- C40 H27 N7 O7 Ru S2 -","- C40 H27 N7 O7 Ru S2 -","- C80 H54 N14 O14 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","","0.71073","MoKα","","0.1124","0.0729","","","0.1299","0.1443","","","","","","1.055","","","","has coordinates","279520","2022-11-23","23:56:04",""
"7711839","9.8383","0.0004","11.6116","0.0005","16.4777","0.0007","83.727","0.001","85.119","0.001","73.683","0.001","1792.83","0.13","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Ru-pytpy-sac-pz","","- C37 H26 N8 O6 Ru S2 -","- C37 H26 N8 O6 Ru S2 -","- C74 H52 N16 O12 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","","0.71073","MoKα","","0.0502","0.0378","","","0.0845","0.0898","","","","","","1.026","","","","has coordinates,has disorder","279520","2022-11-23","23:56:04",""
"7711840","12.0404","0.0008","14.6966","0.0011","14.9939","0.001","105.898","0.002","101.054","0.002","111.592","0.002","2242.1","0.3","100","","100","2","","","","","","","","6","P -1","-P 1","2","","Ru","","- C40 H26 N7 O6 Ru S3 -","- C40 H26 N7 O6 Ru S3 -","- C80 H52 N14 O12 Ru2 S6 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","x-ray","0.71073","MoKα","","0.0922","0.0706","","","0.1851","0.2043","","","","","","1.067","","","","has coordinates,has disorder","279520","2022-11-23","23:56:04",""
"7711841","12.4757","0.0005","12.9156","0.0005","13.464","0.0005","86.073","0.001","78.222","0.001","61.278","0.001","1861.38","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ru-2pytpy-sac-in","","- C41 H28 N8 O6 Ru S2 -","- C41 H28 N8 O6 Ru S2 -","- C82 H56 N16 O12 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","","0.71073","MoKα","","0.043","0.0337","","","0.083","0.0894","","","","","","1.049","","","","has coordinates","279520","2022-11-23","23:56:04",""
"7711842","11.9146","0.0005","16.9265","0.0007","32.3157","0.0013","90","","90","","90","","6517.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-ttpy-sac-pz","","- C36 H24 N7 O6 Ru S3 -","- C36 H24 N7 O6 Ru S3 -","- C288 H192 N56 O48 Ru8 S24 -","8","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","x-ray","0.71073","MoKα","","0.0554","0.0387","","","0.0833","0.0936","","","","","","1.093","","","","has coordinates,has disorder","279520","2022-11-23","23:56:04",""
"7711843","6.3747","0.0005","9.9302","0.0008","6.4394","0.0006","90","","114.467","0.002","90","","371.02","0.05","100","","100","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0335","0.0323","","","0.0888","0.0894","","","","","","1.128","","","","has coordinates","279616","2022-11-28","23:54:18",""
"7711844","6.4912","0.0005","9.9169","0.0008","6.538","0.0006","90","","115.401","0.002","90","","380.18","0.06","273.15","","273.15","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0331","0.0319","","","0.0875","0.0881","","","","","","1.126","","","","has coordinates","279616","2022-11-28","23:54:19",""
"7711845","6.523","0.006","9.909","0.008","6.641","0.007","90","","115.98","0.04","90","","385.9","0.6","400","","400","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H16 Co O14 -","- C10 H16 Co O14 -","- C10 H16 Co O14 -","1","0.25","","Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang","Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03278c","","","0.71073","MoKα","","0.0332","0.0319","","","0.0887","0.0893","","","","","","1.115","","","","has coordinates","279616","2022-11-28","23:54:19",""
"7711846","10.4398","0.0001","11.3625","0.0001","19.0666","0.0001","90","","93.026","0.001","90","","2258.57","0.03","99.9","1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H33 Fe N2 O P -","- C24 H33 Fe N2 O P -","- C96 H132 Fe4 N8 O4 P4 -","4","2","","Shekurov, Ruslan P.; Zagidullin, Almaz A.; Khrizanforov, Mikhail N.; Islamov, Daut R.; Gerasimova, Tatiana P.; Akhmatkhanova, Farida F.; Miluykov, Vasily A.","Ferrocene-based <i>P</i>-chiral amidophosphinate: stereoselective synthesis and X-ray structural study.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02930h","","","1.54184","CuKα","","0.0415","0.0394","","","0.096","0.0969","","","","","","1.051","","","","has coordinates,has disorder","279633","2022-11-29","23:52:58",""
"7711847","10.5572","0.0001","11.5144","0.0001","18.7369","0.0002","90","","97.575","0.001","90","","2257.78","0.04","99.9","0.9","99.9","0.9","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Fe N2 O P -","- C24 H33 Fe N2 O P -","- C96 H132 Fe4 N8 O4 P4 -","4","1","","Shekurov, Ruslan P.; Zagidullin, Almaz A.; Khrizanforov, Mikhail N.; Islamov, Daut R.; Gerasimova, Tatiana P.; Akhmatkhanova, Farida F.; Miluykov, Vasily A.","Ferrocene-based <i>P</i>-chiral amidophosphinate: stereoselective synthesis and X-ray structural study.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02930h","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0795","0.0803","","","","","","1.037","","","","has coordinates","279633","2022-11-29","23:52:59",""
"7711850","9.7901","0.0013","10.5043","0.0012","16.1645","0.0017","108.141","0.007","100.768","0.007","98.913","0.009","1510.9","0.3","200","","200","","","","","","","","","3","P -1","-P 1","2","","diphenyldigermene","","- C68 H100 Ge2 -","- C68 H100 Ge2 -","- C68 H100 Ge2 -","1","0.5","","Yagura, Shogo; Hayakawa, Naoki; Kuroda, Airi; Ota, Kei; Tanishita, Rhota; Urasaki, Genya; Nakahodo, Tsukasa; Nakai, Hidetaka; Hoshino, Manabu; Hashizume, Daisuke; Matsuo, Tsukasa","A series of (<i>E</i>)-1,2-diaryldigermenes incorporating bulky Eind groups: structural characteristics and absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03427a","","","0.71073","MoKα","","0.0692","0.0569","","","0.1366","0.1467","","","","","","1.103","","","","has coordinates,has disorder","279657","2022-11-30","23:53:10",""
"7711851","10.9234","0.0003","11.2224","0.0003","15.1362","0.0005","82.149","0.003","78.332","0.003","86.759","0.002","1799.32","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","","bis(9,9-dimethyl-2-fluorenyl)digermene","","- C86 H116 Ge2 -","- C86 H116 Ge2 -","- C86 H116 Ge2 -","1","0.5","","Yagura, Shogo; Hayakawa, Naoki; Kuroda, Airi; Ota, Kei; Tanishita, Rhota; Urasaki, Genya; Nakahodo, Tsukasa; Nakai, Hidetaka; Hoshino, Manabu; Hashizume, Daisuke; Matsuo, Tsukasa","A series of (<i>E</i>)-1,2-diaryldigermenes incorporating bulky Eind groups: structural characteristics and absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03427a","","","0.71075","MoKα","","0.1512","0.0627","","","0.1205","0.1411","","","","","","1.014","","","","has coordinates,has disorder","279657","2022-11-30","23:53:11",""
"7711852","11.2966","0.0002","27.7798","0.0006","10.338","0.0002","90","","91.415","0.002","90","","3243.25","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2,2'-bithiophen-5-yl)digermene","","- C72 H100 Ge2 O0.43 S4 -","- C72 H100 Ge2 O0.4332 S4 -","- C144 H200 Ge4 O0.8664 S8 -","2","0.5","","Yagura, Shogo; Hayakawa, Naoki; Kuroda, Airi; Ota, Kei; Tanishita, Rhota; Urasaki, Genya; Nakahodo, Tsukasa; Nakai, Hidetaka; Hoshino, Manabu; Hashizume, Daisuke; Matsuo, Tsukasa","A series of (<i>E</i>)-1,2-diaryldigermenes incorporating bulky Eind groups: structural characteristics and absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03427a","","","0.71073","MoKα","","0.0936","0.0644","","","0.1506","0.1612","","","","","","1.105","","","","has coordinates,has disorder","279657","2022-11-30","23:53:11",""
"7711853","11.3963","0.0005","16.324","0.0006","18.0362","0.0007","103.576","0.003","105.459","0.003","95.039","0.003","3102.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis(thiophen-2-yl)digermene","","- C66 H100 Ge2 O0.5 S2 -","- C66 H100 Ge2 O0.5 S2 -","- C132 H200 Ge4 O S4 -","2","1","","Yagura, Shogo; Hayakawa, Naoki; Kuroda, Airi; Ota, Kei; Tanishita, Rhota; Urasaki, Genya; Nakahodo, Tsukasa; Nakai, Hidetaka; Hoshino, Manabu; Hashizume, Daisuke; Matsuo, Tsukasa","A series of (<i>E</i>)-1,2-diaryldigermenes incorporating bulky Eind groups: structural characteristics and absorption properties.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03427a","","","0.71073","MoKα","","0.1092","0.0867","","","0.2365","0.2553","","","","","","1.046","","","","has coordinates,has disorder","279657","2022-11-30","23:53:11",""
"7711854","10.34","0.002","11.774","0.003","14.088","0.003","114.476","0.003","104.967","0.004","93.218","0.004","1481.8","0.6","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H30 Cl12 Dy2 N6 O8 -","- C56 H30 Cl12 Dy2 N6 O8 -","- C56 H30 Cl12 Dy2 N6 O8 -","1","0.5","","Shao, Dong; Sahu, Prem Prakash; Tang, Wan-Jie; Zhang, Yang-Lu; Zhou, Yue; Xu, Fang-Xue; Wei, Xiao-Qin; Tian, Zhengfang; Singh, Saurabh Kumar; Wang, Xin-Yi","A single-ion magnet building block strategy toward Dy<sub>2</sub> single-molecule magnets with enhanced magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03046b","","","0.71073","MoKα","","0.0276","0.0252","","","0.0654","0.067","","","","","","1.075","","","","has coordinates","279658","2022-11-30","23:53:59",""
"7711855","12.2118","0.0012","18.1252","0.0016","21.4372","0.0018","95.612","0.003","100.36","0.003","108.591","0.003","4362.4","0.7","199","","199","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H52 Cl12 Dy2 N14 O8 -","- C82 H52 Cl12 Dy2 N14 O8 -","- C164 H104 Cl24 Dy4 N28 O16 -","2","1","","Shao, Dong; Sahu, Prem Prakash; Tang, Wan-Jie; Zhang, Yang-Lu; Zhou, Yue; Xu, Fang-Xue; Wei, Xiao-Qin; Tian, Zhengfang; Singh, Saurabh Kumar; Wang, Xin-Yi","A single-ion magnet building block strategy toward Dy<sub>2</sub> single-molecule magnets with enhanced magnetic performance.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03046b","","","0.71073","MoKα","","0.0806","0.0479","","","0.1031","0.1168","","","","","","1.027","","","","has coordinates,has disorder","279658","2022-11-30","23:53:59",""
"7711856","21.8291","0.0005","29.6847","0.0007","31.7603","0.0006","71.668","0.002","73.433","0.002","70.962","0.002","18081.2","0.7","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C121 H223.5 Cr11 Cu2 F15 N4.5 O44 -","- C121 H223.5 Cr11 Cu2 F15 N4.5 O44 -","- C484 H894 Cr44 Cu8 F60 N18 O176 -","4","2","","Alotaibi, Rajeh; Brookfield, Adam; Fowler, Jonathan M.; Whitehead, George F. S.; Lockyer, Selena J.; Timco, Grigore A.; Collison, David; Schnack, Jürgen; Winpenny, Richard E. P.","Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr<sub>11</sub>M<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","20","23","10.1039/d2dt03368b","","x-ray","0.71073","MoKα","","0.108","0.0672","","","0.1643","0.1921","","","","","","1.029","","","","has coordinates,has disorder","283231","2023-05-05","01:39:26",""
"7711857","20.266","0.0006","21.0542","0.0006","24.7966","0.0006","82.82","0.002","77.658","0.002","62.886","0.003","9195.3","0.5","150.06","0.14","150.06","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C126.8 H240.11 Cr11.27 F15.27 N4 O46.26 Zn1.74 -","- C126.796 H240.098 Cr11.283 F15.283 N4 O46.253 Zn1.718 -","- C253.592 H480.196 Cr22.566 F30.566 N8 O92.506 Zn3.436 -","2","1","","Alotaibi, Rajeh; Brookfield, Adam; Fowler, Jonathan M.; Whitehead, George F. S.; Lockyer, Selena J.; Timco, Grigore A.; Collison, David; Schnack, Jürgen; Winpenny, Richard E. P.","Templating metallocycles with a macrocycle: synthesis, structures and magnetic studies of {Cr<sub>11</sub>M<sub>2</sub>} complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","20","23","10.1039/d2dt03368b","","","1.54184","CuKα","","0.0921","0.0678","","","0.1948","0.2153","","","","","","1.014","","","","has coordinates,has disorder","283231","2023-05-05","01:39:26",""
"7711860","13.4794","0.0007","17.0612","0.001","18.2148","0.0008","90","","90","","90","","4188.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H65 Bi N2 Si -","- C42 H65 Bi N2 Si -","- C168 H260 Bi4 N8 Si4 -","4","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0755","0.0495","","","0.1141","0.1226","","","","","","1.067","","","","has coordinates,has disorder","283232","2023-05-05","01:39:52",""
"7711861","9.6926","0.0005","9.9028","0.0006","11.5941","0.0007","114.372","0.002","101.681","0.002","96.559","0.002","967.98","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H60 N4 Sb2 Si2 -","- C32 H60 N4 Sb2 Si2 -","- C32 H60 N4 Sb2 Si2 -","1","0.5","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0233","0.0219","","","0.052","0.0533","","","","","","1.144","","","","has coordinates","283232","2023-05-05","01:39:53",""
"7711862","9.8084","0.0004","9.9912","0.0004","11.6118","0.0004","114.184","0.002","100.792","0.002","98.542","0.002","986.96","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 Bi N2 Si -","- C16 H30 Bi N2 Si -","- C32 H60 Bi2 N4 Si2 -","2","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0632","0.0494","","","0.1311","0.1379","","","","","","1.145","","","","has coordinates,has disorder","283232","2023-05-05","01:39:53",""
"7711863","13.5556","0.0005","18.201","0.0006","16.9952","0.0006","90","","90","","90","","4193.1","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H65 N2 Sb Si -","- C42 H65 N2 Sb Si -","- C168 H260 N8 Sb4 Si4 -","4","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0551","0.0386","","","0.0851","0.0911","","","","","","1.027","","","","has coordinates,has disorder","283232","2023-05-05","01:39:53",""
"7711864","9.1611","0.0007","10.0853","0.0008","13.3015","0.001","87.219","0.003","79.274","0.003","72.52","0.003","1151.69","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H30 F3 N2 O3 S Sb Si -","- C17 H30 F3 N2 O3 S Sb Si -","- C34 H60 F6 N4 O6 S2 Sb2 Si2 -","2","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0931","0.0529","","","0.0928","0.1053","","","","","","1.108","","","","has coordinates,has disorder","283232","2023-05-05","01:39:53",""
"7711865","13.8907","0.0007","13.5122","0.0005","21.3741","0.0009","90","","92.234","0.002","90","","4008.7","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H50 Bi F3 N2 O3 S Si -","- C37 H50 Bi F3 N2 O3 S Si -","- C148 H200 Bi4 F12 N8 O12 S4 Si4 -","4","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0701","0.0443","","","0.063","0.0674","","","","","","1.053","","","","has coordinates,has disorder","283232","2023-05-05","01:39:53",""
"7711866","9.4183","0.0001","31.4732","0.0002","13.0007","0.0001","90","","104.668","0.001","90","","3728.12","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C89 H91 N O3 P4 Ru -","- C81 H71 N O P4 Ru -","- C162 H142 N2 O2 P8 Ru2 -","2","1","","Jago, David; Langley, Amelia R.; Eaves, Samantha G.; Walkey, Mark C.; Pulbrook, Thea; Moggach, Stephen A.; Piggott, Matthew J.; Low, Paul J.; Koutsantonis, George A.","Multifunctional switching properties of ""wire-like"" dinuclear ruthenium bis-alkynyl spiropyran complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","185","200","10.1039/d2dt03045d","","","1.54184","CuKα","","0.0359","0.0337","","","0.0822","0.0836","","","","","","1.04","","","","has coordinates","283227","2023-05-05","01:37:56",""
"7711867","9.8197","0.0003","12.7046","0.0004","54.4568","0.0017","85.315","0.003","88.454","0.003","73.248","0.003","6483.7","0.4","100.01","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C147 H131 Cl8 N O P8 Ru2 -","- C144 H125 Cl2 N O P8 Ru2 -","- C288 H250 Cl4 N2 O2 P16 Ru4 -","2","1","","Jago, David; Langley, Amelia R.; Eaves, Samantha G.; Walkey, Mark C.; Pulbrook, Thea; Moggach, Stephen A.; Piggott, Matthew J.; Low, Paul J.; Koutsantonis, George A.","Multifunctional switching properties of ""wire-like"" dinuclear ruthenium bis-alkynyl spiropyran complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","185","200","10.1039/d2dt03045d","","","1.54184","CuKα","","0.1981","0.1744","","","0.3748","0.3894","","","","","","1.067","","","","has coordinates","283227","2023-05-05","01:37:56",""
"7711874","12.5282","0.0006","29.0665","0.0014","15.1236","0.0008","90","","92.893","0.0017","90","","5500.3","0.5","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C62 H42 F6 Ir N6 P S2 -","- C62 H42 F6 Ir N6 P S2 -","- C248 H168 F24 Ir4 N24 P4 S8 -","4","1","","He, Ping; Chen, Yan; Li, Xiao-Na; Yan, Ying-Ying; Liu, Chun","AIPE-active cationic Ir(III) complexes for efficient detection of 2,4,6-trinitrophenol and oxygen.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","128","135","10.1039/d2dt03537e","","","0.71073","MoKα","","0.0374","0.0305","","","0.063","0.0645","","","","","","1.022","","","","has coordinates","283229","2023-05-05","01:38:39",""
"7711883","13.6175","0.0005","11.0711","0.0003","20.4071","0.0007","90","","105.529","0.003","90","","2964.28","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.33 H57.33 Co2.67 N2.67 O12 -","- C33.3333 H57.3333 Co2.66667 N2.66667 O12 -","- C100 H172 Co8 N8 O36 -","3","0.75","","Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","A dinuclear Co(III)/Co(II) complex based on the H<sub>2</sub>pmide ligand showing field-induced SMM behaviour.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","175","184","10.1039/d2dt03492a","","","0.71073","MoKα","","0.0934","0.0661","","","0.1935","0.2214","","","","","","1.047","","","","has coordinates,has disorder","283230","2023-05-05","01:38:57",""
"7711884","13.0921","0.0006","13.0811","0.0006","21.0745","0.0015","90.023","0.0013","90.093","0.014","90.071","0.009","3609.2","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C48 H120 Li2 O4 Sc2 Si8 -","- C48 H120 Li2 O4 Sc2 Si8 -","- C96 H240 Li4 O8 Sc4 Si16 -","2","2","","Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metal trimethylsilylmethyl ate complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","44","51","10.1039/d2dt03491c","","","0.71073","MoKα","","0.1113","0.0894","","","0.2093","0.2256","","","","","","1.037","","","","has coordinates,has disorder","283228","2023-05-05","01:38:20",""
"7711885","18.9631","0.0017","10.3876","0.001","40.329","0.004","90","","96.829","0.002","90","","7887.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H66 Li3 Si6 Y -","- C24 H66 Li3 Si6 Y -","- C192 H528 Li24 Si48 Y8 -","8","2","","Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metal trimethylsilylmethyl ate complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","44","51","10.1039/d2dt03491c","","","0.71073","MoKα","","0.0685","0.0433","","","0.0795","0.0875","","","","","","0.884","","","","has coordinates","283228","2023-05-05","01:38:20",""
"7711886","17.4785","0.0018","15.0572","0.0016","20.279","0.002","90","","112.988","0.001","90","","4913.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 La Li O5 Si4 -","- C36 H84 La Li O5 Si4 -","- C144 H336 La4 Li4 O20 Si16 -","4","1","","Mortis, Alexandros; Kracht, Felix; Berger, Tassilo; Lebon, Jakob; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metal trimethylsilylmethyl ate complexes.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","44","51","10.1039/d2dt03491c","","","0.71073","MoKα","","0.052","0.0349","","","0.0775","0.0868","","","","","","1.021","","","","has coordinates,has disorder","283228","2023-05-05","01:38:20",""
"8000564","8.0489","0.001","31.099","0.004","8.3796","0.001","90","","90.441","0.004","90","","2097.5","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H14 Br7 Cs N2 Pb2 -","- C4 H14 Br7 Cs N2 Pb2 -","- C16 H56 Br28 Cs4 N8 Pb8 -","4","1","","Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong","Two-Dimensional Dion-Jacobson Perovskite (NH<sub>3</sub>C<sub>4</sub>H<sub>8</sub>NH<sub>3</sub>)CsPb<sub>2</sub>Br<sub>7</sub> with High X-ray Sensitivity and Peak Discrimination of α-Particles.","The journal of physical chemistry letters","2022","","","1187","1193","10.1021/acs.jpclett.1c04204","","x-ray","0.71073","MoKα","","0.0655","0.058","","","0.1542","0.16","","","","","","1.095","","","","has coordinates","272541","2022-02-04","01:56:23",""
"8000565","6.6196","0.0002","12.2116","0.0003","12.732","0.0003","90","","90.157","0.002","90","","1029.2","0.05","105","4","105","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N O -","- C24 H35 N O -","- C48 H70 N2 O2 -","2","1","","Hu, Shuhe; Yao, Zhen; Ma, Xuan; Yue, Lei; Chen, Luyao; Liu, Ran; Wang, Peng; Li, Haiyan; Zhang, Shi-Tong; Yao, Dong; Cui, Tian; Zou, Bo; Zou, Guangtian","Pressure-Induced Local Excitation Promotion: New Route toward High-Efficiency Aggregate Emission Based on Multimer Excited State Modulation.","The journal of physical chemistry letters","2022","","","1290","1299","10.1021/acs.jpclett.1c04214","","x-ray","1.54184","CuKα","","0.0382","0.0362","","","0.0949","0.0963","","","","","","1.057","","","","has coordinates","272542","2022-02-04","01:56:44",""
"8000566","7.176","0.0003","11.6702","0.0003","7.2267","0.0004","90","","113.519","0.006","90","","554.93","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3.43 H2.86 N0.57 O1.14 -","- C3.42857 H2.85714 N0.571429 O1.14286 -","- C24 H20 N4 O8 -","7","1.75","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0779","0.0608","","","0.1596","0.1905","","","","","","1.139","","","","has coordinates","273311","2022-03-04","01:33:06",""
"8000567","6.3923","0.0007","7.2424","0.0009","7.4683","0.0008","103.707","0.01","114.869","0.011","106.137","0.01","275.38","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C12 H10 N2 O4 -","2","1","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0597","0.0521","","","0.1619","0.189","","","","","","1.0905","","","","has coordinates","273312","2022-03-04","01:33:31",""
"8104946","4.397","0.0003","13.8942","0.0008","22.0484","0.0014","90","","91.099","0.006","90","","1346.75","0.15","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Zhang, Sheng-Nan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-3-yl)methylene)-3, 4-dihydronaphthalen-1(2H)-one, C17H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","1","3","10.1515/ncrs-2021-0382","","","0.71073","MoKα","","0.0506","0.0412","","","0.0943","0.1003","","","","","","1.022","","","","has coordinates","274109","2022-03-30","08:10:43",""
"8104947","7.4638","0.0008","8.0392","0.0008","12.6767","0.0011","108.187","0.008","94.029","0.007","95.071","0.008","715.95","0.13","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Ma, Guang-Qun; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-7-methoxy-2-((2-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1 (2H)-one, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","5","7","10.1515/ncrs-2021-0378","","","0.71073","MoKα","","0.0742","0.0573","","","0.1292","0.146","","","","","","1.037","","","","has coordinates","274110","2022-03-30","08:13:56",""
"8104948","7.6623","0.0004","11.8206","0.0005","8.896","0.0004","90","","91.825","0.002","90","","805.33","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","0.5","","Sun, Yue; Yang, Tianyu; Wang, Wenxiang","The crystal structure of N 6,N 6′-di(pyridin-2-yl)-[2,2′-bipyridine]-6,6′-diamine, C20H16N6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","9","11","10.1515/ncrs-2021-0373","","","0.71073","MoKα","","0.0703","0.0577","","","0.1468","0.1588","","","","","","1.154","","","","has coordinates","274111","2022-03-30","08:22:33",""
"8104949","31.9723","0.0018","11.9826","0.0006","18.4722","0.0011","90","","125.038","0.002","90","","5794.4","0.6","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Br2 Cl4 N2 Ni -","- C64 H64 Br2 Cl4 N2 Ni -","- C256 H256 Br8 Cl16 N8 Ni4 -","4","0.5","","Guo, Kun-Peng","The crystal structure of {N 1,N 2-bis[2,4-dimethyl-6-(4-(tert-butyl)phenyl)(phenyl)methyl]acenaphthylene-1,2-diimino-κ2 N, N′}-dibromido-nickel(II) – dichloromethane(1/2), C64H64Br2Cl4N2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","13","15","10.1515/ncrs-2021-0371","","","0.71073","MoKα","","0.0686","0.0536","","","0.1524","0.164","","","","","","1.041","","","","has coordinates","274112","2022-03-30","08:34:55",""
"8104950","37.24213","0.00009","37.24213","0.00009","11.64828","0.00003","90","","90","","120","","13991.4","0.06","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C25.71 H32.57 N9.86 O15 P3 Ru3 S3 -","- C25.7143 H32.5714 N9.85714 O15 P3 Ru3 S3 -","- C360 H456 N138 O210 P42 Ru42 S42 -","14","2.33333","","Ebong, Wisdom; Muniz, Alexandra E.; Khan, David R.; Unruh, Daniel K.; Yarbrough, Jason C.","Synthesis and crystal structure of nonacarbonyltris[(2-thia-1,3,5-triaza-7-phosphatricylco[3.3.1.1]decane-κ1 P)-2,2-dioxide]triruthenium(0) – acetonitrile (7/6), C25.71H32.57N9.86O15P3S3Ru3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","17","21","10.1515/ncrs-2021-0359","","x-ray","1.54178","CuKα","","0.041","0.0406","","","0.1005","0.1009","","","","","","1.086","","","","has coordinates","274113","2022-03-30","08:39:59",""
"8104951","3.7375","0.0001","27.968","0.0006","10.2595","0.0002","90","","95.512","0.001","90","","1067.47","0.04","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Friedrich, Holger B.","A new polymorph of 1-(4-nitrophenyl)-1H-benzimidazole (C13H9N3O2)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","23","25","10.1515/ncrs-2021-0360","","x-ray","0.71073","MoKα","","0.0441","0.037","","","0.0924","0.0975","","","","","","1.052","","","","has coordinates","274114","2022-03-30","08:44:45",""
"8104952","6.2362","0.0002","16.3148","0.0006","20.0521","0.0007","90","","94.308","0.001","90","","2034.38","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Ndlangamandla, Nqobile; Clayton, Hadley S.","The crystal structure of 2,2′-((1E,1′E)-(naphthalene-2,3 diylbis(azanylylidene)) bis(methanylylidene))bis(4-methylphenol), C26H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","27","29","10.1515/ncrs-2021-0385","","x-ray","0.71073","MoKα","","0.0439","0.04","","","0.1047","0.1088","","","","","","1.061","","","","has coordinates","274115","2022-03-30","08:47:57",""
"8104953","11.972","0.0005","10.4991","0.0004","13.281","0.0006","90","","90","","90","","1669.36","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 I4 Os2 -","- C12 H12 I4 Os2 -","- C48 H48 I16 Os8 -","4","0.5","","Tapala, Kgaugelo C.; Clayton, Hadley S.","The crystal structure of bis(μ2-iodido)-bis(η6-benzene)-bis(iodido)-diosmium(II), C12H12I4Os2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","31","32","10.1515/ncrs-2021-0398","","x-ray","0.71073","MoKα","","0.037","0.0349","","","0.0838","0.0848","","","","","","1.19","","","","has coordinates","274116","2022-03-30","08:51:53",""
"8104954","8.6801","0.0001","10.1688","0.0002","10.729","0.0002","62.672","0.002","84.355","0.001","78.97","0.001","825.71","0.03","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B2 Cu N12 -","- C30 H44 B2 Cu N12 -","- C30 H44 B2 Cu N12 -","1","0.5","","Fujisawa, Kiyoshi; Okamura, Moemi; Tiekink, Edward R. T.","Redetermination of the crystal structure of bis{hydridotris(3,5-dimethylpyrazol-1-yl-κN 3)borato}copper(II), C30H44B2CuN12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","33","36","10.1515/ncrs-2021-0396","","","0.71073","MoKα","","0.0324","0.0318","","","0.0957","0.0961","","","","","","1.105","","","","has coordinates","274117","2022-03-30","08:55:36",""
"8104955","12.852","0.0008","10.5864","0.0008","11.2202","0.0007","90","","104.375","0.007","90","","1478.79","0.18","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","","Dong, Le; Guo, Ya-Fei; Ma, Jun-Ying; Wang, Jun-Ling; Feng, Shu-Xiao; Huo, Hui-Kang","Crystal structure of (E)-3-((4-(tert-butyl)phenyl)thio)-4-hydroxypent-3-en-2-one, C15H20O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","37","39","10.1515/ncrs-2021-0365","","x-ray","0.71073","MoKα","","0.082","0.0655","","","0.1646","0.1781","","","","","","1.042","","","","has coordinates,has disorder","274118","2022-03-30","08:59:41",""
"8104956","20.163","0.003","10.1693","0.0016","8.8032","0.001","90","","95.992","0.012","90","","1795.2","0.4","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","0.5","","Li, Yameng; Xu, Yongquan; Zhang, Ziwen; Li, Nan; Bai, Xiaofan; He, Jingyu; Wu, Haixia","Crystal structure of 2,2′-(p-tolylazanediyl)bis(1-phenylethan-1-one), C23H21NO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","41","43","10.1515/ncrs-2021-0388","","x-ray","0.71073","MoKα","","0.0999","0.0624","","","0.1177","0.1411","","","","","","1.062","","","","has coordinates,has disorder","274119","2022-03-30","09:03:40",""
"8104957","34.978","0.00015","15.02541","0.00006","30.13247","0.00012","90","","101.903","0.0004","90","","15495.9","0.11","95","","95","","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H98 I12 N34 O20 Zn6 -","- C132 H98 I12 N34 O20 Zn6 -","- C528 H392 I48 N136 O80 Zn24 -","4","1","","Eigner, Václav","Redetermination of the crystal structure of the crystal sponge the poly[tetrakis(μ3-2,4,6-tris(pyridin-4-yl)-1,3,5-triazine)-dodecaiodidohexazinc(II) nitrobenzene solvate], C72H48I12N24Zn6⋅10(C6H5NO2)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","45","49","10.1515/ncrs-2021-0367","","","1.54184","CuKα","","0.0515","0.0501","","0.1329","0.1318","0.1329","","","","","","1.0768","","","","has coordinates,has disorder","274120","2022-03-30","09:08:35",""
"8104958","11.214","0.0004","11.9932","0.0005","14.2703","0.0005","98.879","0.003","102.025","0.003","91.122","0.003","1851.97","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H45 N5 O2 -","- C44 H45 N5 O2 -","- C88 H90 N10 O4 -","2","1","","Li, Kaihao; Wu, Jinping; Lan, Hairong; Wang, Junmin; Yuan, Juan","Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(6-methylpyridin-2-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C44H45N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","51","54","10.1515/ncrs-2021-0363","","x-ray","1.54184","CuKα","","0.0716","0.0549","","","0.1456","0.1616","","","","","","1.017","","","","has coordinates,has disorder","274121","2022-03-30","09:12:30",""
"8104959","7.3632","0.0008","8.6467","0.0009","11.3278","0.0011","87.633","0.008","88.022","0.008","65.364","0.01","654.88","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F2 O -","- C17 H12 F2 O -","- C34 H24 F4 O2 -","2","1","","Song, Jia; Zhao, Feng-Lan; Wang, Qi-bao; Meng, Qing-Guo","Crystal structure of (E)-7-fluoro-2-(3-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O1","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","55","57","10.1515/ncrs-2021-0392","","","0.71073","MoKα","","0.0515","0.0369","","","0.0888","0.0987","","","","","","1.032","","","","has coordinates","274122","2022-03-30","09:17:05",""
"8104960","8.5247","0.0005","10.6658","0.0005","21.297","0.001","90","","109.472","0.002","90","","1825.63","0.16","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C26 H54 N10 O3 S3 -","- C26 H54 N10 O3 S3 -","- C52 H108 N20 O6 S6 -","2","1","","Xu, Duanjie; Wang, Baiyan; Zhu, Xin","Crystal structure of tetrabutylammonium sulfanilate – 1-(diaminomethylene)thiourea (1/2)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","59","60","10.1515/ncrs-2021-0361","","","0.71073","MoKα","","0.0465","0.0366","","","0.0866","0.0937","","","","","","0.891","","","","has coordinates,has disorder","274123","2022-03-30","09:21:24",""
"8104961","16.304","0.002","11.1675","0.0015","14.1041","0.0016","90","","109.322","0.004","90","","2423.4","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl4 Fe N4 O2 S -","- C21 H19 Cl4 Fe N4 O2 S -","- C84 H76 Cl16 Fe4 N16 O8 S4 -","4","1","","Duan, Rui; Guojun, Yu; Tian, Hui; Wang, Man; Wu, Qiong","Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ2O,O′]-isothiocyanato-κN-iron(III), C21H19Cl4FeN4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","61","63","10.1515/ncrs-2021-0374","","","0.71073","MoKα","","0.1156","0.0802","","","0.1632","0.1769","","","","","","1.224","","","","has coordinates","274124","2022-03-30","09:26:10",""
"8104962","6.5465","0.0009","8.0647","0.0011","10.8476","0.0015","90","","105.591","0.003","90","","551.63","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 Cl O2 -","- C13 H9 Cl O2 -","- C26 H18 Cl2 O4 -","2","1","","Bai, Xiao-Hui; Xing, Yan; Liu, Si-Jie","Crystal structure of (4-chlorophenyl)(4-hydroxyphenyl)methanone, C13H9ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","65","66","10.1515/ncrs-2021-0397","","","0.71073","MoKα","","0.0867","0.0532","","","0.1301","0.1507","","","","","","1.024","","","","has coordinates","274125","2022-03-30","09:31:36",""
"8104963","10.2649","0.0003","10.1903","0.0003","21.2494","0.0006","90","","100.522","0.001","90","","2185.36","0.11","169","","169","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br4 Cu N2 O2 -","- C19 H16 Br4 Cu N2 O2 -","- C76 H64 Br16 Cu4 N8 O8 -","4","1","","Duan, Rui; Man, Wang; Meifen, Huang; Ma, Xun; Wu, Qiong","Crystal structure of 6,6′-((pentane-1,3-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dibromolphenolato-κ4 N,N′,O,O′)copper(II),) C19H16Br4CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","67","69","10.1515/ncrs-2021-0377","","","0.71073","MoKα","","0.0741","0.0375","","","0.06","0.073","","","","","","1.069","","","","has coordinates","274126","2022-03-30","09:40:38",""
"8104964","9.7567","0.0017","9.7786","0.0015","11.6712","0.0018","69.227","0.002","89.459","0.002","73.849","0.001","995.1","0.3","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Mn N2 O5 -","- C20 H24 Cl Mn N2 O5 -","- C40 H48 Cl2 Mn2 N4 O10 -","2","1","","Zheng, Liping; Wang, Jialu; Jiao, Haolong; Meng, Licha; Qiao, Yongfeng","Chlorido-(2,2′-(ethane-bis(5-methoxyphenolato))-κ4 N,N′,O,O′)manganese(III) monohydrate, C19H18Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","71","73","10.1515/ncrs-2021-0380","","","0.71073","MoKα","","0.0378","0.0331","","","0.1033","0.1077","","","","","","1.146","","","","has coordinates","274127","2022-03-30","09:46:30",""
"8104965","12.0841","0.0009","16.6946","0.0012","9.3837","0.0008","90","","90","","90","","1893.1","0.3","219.99","0.1","219.99","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Guo, Wei; Zhai, Pengda; Bai, Xiaofan; Li, Nan; Wu, Haixia; Zhang, Zhihui; He, Jingyu","Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","75","77","10.1515/ncrs-2021-0394","","x-ray","0.71073","MoKα","","0.0704","0.0497","","","0.094","0.1057","","","","","","1.0532","","","","has coordinates","274159","2022-03-31","07:17:13",""
"8104966","21.01","0.003","11.3886","0.0015","7.9578","0.001","90","","100.725","0.004","90","","1870.8","0.4","170","","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C76 H72 Cl8 Cu4 N8 O8 -","4","0.5","","Duan, Rui; Ma, Xun; Huang, Meifen; Wang, Man; Wu, Qiong","Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","79","80","10.1515/ncrs-2021-0376","","","0.71073","MoKα","","0.077","0.0576","","","0.1355","0.162","","","","","","1.099","","","","has coordinates","274160","2022-03-31","07:20:33",""
"8104967","16.9808","0.0014","7.5227","0.0006","20.8027","0.0016","90","","90","","90","","2657.4","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H20 Cl2 N2 O4 S2 -","- C30 H20 Cl2 N2 O4 S2 -","- C120 H80 Cl8 N8 O16 S8 -","4","1","","Jia, Li-Mei; Luo, Peng; Pan, Wei-Gao","Crystal structure of 2-chloro-3-((thiophen-2-ylmethyl)amino)naphthalene-1,4-dione, C30H20O4N2Cl2S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","81","83","10.1515/ncrs-2021-0387","","","0.71073","MoKα","","0.1043","0.0642","","","0.1584","0.1809","","","","","","1.017","","","","has coordinates,has disorder","274161","2022-03-31","07:24:30",""
"8104968","10.5322","0.0003","10.6475","0.0004","10.989","0.0004","111.755","0.003","99.1","0.002","112.74","0.003","988.07","0.08","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B2 F18 Mn N12 -","- C30 H26 B2 F18 Mn N12 -","- C30 H26 B2 F18 Mn N12 -","1","0.5","","Ikarugi, Riko; Fujisawa, Kiyoshi; Tiekink, Edward R. T.","Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN 3}manganese(II), C30H26B2F18MnN12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","85","87","10.1515/ncrs-2021-0395","","","0.71073","MoKα","","0.0399","0.0338","","","0.088","0.0907","","","","","","1.042","","","","has coordinates","274162","2022-03-31","07:27:54",""
"8104969","9.9344","0.0011","16.7106","0.0018","11.6207","0.0013","90","","101.008","0.001","90","","1893.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F6 S -","- C21 H14 F6 S -","- C84 H56 F24 S4 -","4","1","","Jiang, Duohua","Crystal structure of 1-(2-methylphenyl)-2-(2-methylbenzo[b]thienyl)-3,3,4,4,5,5-hexafluorocyclopent-ene, C21H14F6S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","89","91","10.1515/ncrs-2021-0393","","","0.71073","MoKα","","0.0586","0.0491","","","0.1466","0.1541","","","","","","1.022","","","","has coordinates,has disorder","274163","2022-03-31","07:31:14",""
"8104970","8.7848","0.0009","9.8894","0.0011","18.802","0.0019","90","","90","","90","","1633.5","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N4 O P S2 -","- C10 H17.01 F6 N4 O P S2 -","- C40 H68.04 F24 N16 O4 P4 S8 -","4","1","","Eigner, Václav; Holakovský, Roman","Crystal structure of 2-(3-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","93","95","10.1515/ncrs-2021-0418","","x-ray","1.5418","CuKα","","0.0364","0.0348","","","0.0929","0.0943","","","","1.62","1.62","1.59","","","","has coordinates","274164","2022-03-31","07:46:03",""
"8104971","26.11","0.002","9.1149","0.0008","33.793","0.003","90","","134.138","0.003","90","","5771.7","0.9","297.93","","297.93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl4 I2 N3 -","- C21 H23 Cl4 I2 N3 -","- C168 H184 Cl32 I16 N24 -","8","2","","Xu, Xingyu; Qiu, Ping","Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","97","99","10.1515/ncrs-2021-0401","","","0.71073","MoKα","","0.1099","0.0624","","","0.1288","0.1525","","","","","","1.028","","","","has coordinates,has disorder","274165","2022-03-31","07:49:49",""
"8104972","16.23","0.0004","20.9661","0.0006","7.8269","0.0002","90","","97.225","0.0011","90","","2642.19","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br4 Co N6 O3 -","- C21 H23 Br4 Co N6 O3 -","- C84 H92 Br16 Co4 N24 O12 -","4","1","","Duan, Rui; Tian, Hui; Guojun, Yu; Wu, Qiong","Crystal structure of azido-k1 N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k5 N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C21H23Br4CoN6O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","101","103","10.1515/ncrs-2021-0375","","","0.71073","MoKα","","0.0427","0.0336","","","0.0871","0.0981","","","","","","1.131","","","","has coordinates","274166","2022-03-31","07:52:42",""
"8104973","13.0455","0.0012","12.6114","0.0012","10.7642","0.001","90","","99.546","0.008","90","","1746.4","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 F6 N4 O P S2 -","- C10 H16.99 F6 N4 O P S2 -","- C40 H67.96 F24 N16 O4 P4 S8 -","4","1","","Eigner, Václav; Holakovský, Roman","The crystal structure of 2-(4-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","105","107","10.1515/ncrs-2021-0417","","x-ray","1.5418","CuKα","","0.0495","0.0425","","","0.1129","0.1173","","","","1.96","1.96","1.86","","","","has coordinates,has disorder","274167","2022-03-31","07:55:35",""
"8104974","5.8968","0.0009","11.5554","0.0018","12.994","0.002","90","","94.577","0.002","90","","882.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C9 H14 F12 N4 P2 -","- C9 H14 F12 N4 P2 -","- C18 H28 F24 N8 P4 -","2","0.5","","Huang-Xian, Zhang; Kun, Yuan; Qi-Long, Du; Xu-Liang, Nie; Wan-Ming, Xiong","Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C9H14F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","109","111","10.1515/ncrs-2021-0400","","","0.71073","MoKα","","0.077","0.0676","","","0.1943","0.202","","","","","","1.095","","","","has coordinates,has disorder","274168","2022-03-31","07:59:00",""
"8104975","11.1883","0.0005","13.5364","0.0005","14.3412","0.0005","105.885","0.003","97.71","0.003","94.126","0.003","2056.64","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H48 N4 O2 -","- C54 H48 N4 O2 -","- C108 H96 N8 O4 -","2","1","","Wu, Jinping; Li, Kaihao; Lan, Hairong; Chu, Yixin","Crystal structure of (4′E)-6′-(diethylamino)-2-[(E)-[(pyren-1-yl)methylidene]amino]-4′-{2-[(2E)-1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-1′,2,2′,3,3′,4′-hexahydrospiro[isoindole-1,9′-xanthene]-3-one, C54H48N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","113","116","10.1515/ncrs-2021-0383","","","0.71073","MoKα","","0.1114","0.0685","","","0.1398","0.1606","","","","","","1.024","","","","has coordinates,has disorder","274169","2022-03-31","08:14:27",""
"8104976","11.038","0.002","8.9312","0.0018","16.083","0.005","90","","125.66","0.02","90","","1288.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N12 S2 -","- C24 H18 Cu N12 S2 -","- C48 H36 Cu2 N24 S4 -","2","0.5","","Li, Lu; Duan, Huajian; Qian, Jun","Crystal structure of poly[bis(μ2-2,6-bis(1-imidazoly)pyridine-κ2 N,N′)-bis(thiocyanato-κ1 N)copper(II)] dithiocyanate, C24H18CuN12S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","117","119","10.1515/ncrs-2021-0369","","","0.71073","MoKα","","0.0519","0.0416","","","0.097","0.1043","","","","","","1.053","","","","has coordinates","274170","2022-03-31","08:17:54",""
"8104977","13.1897","0.0003","13.1897","0.0003","39.5222","0.0009","90","","90","","120","","5954.4","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H33 Cl9 Fe2 N12 O9 -","- C21 H33 Cl9 Fe2 N12 O9 -","- C126 H198 Cl54 Fe12 N72 O54 -","6","0.333333","","Reiss, Guido J.; Wyshusek, Maik","Cones with a three-fold symmetry constructed from three hydrogen bonded theophyllinium cations that coat [FeCl4]− anions in the crystal structure of tris(theophyllinium) bis(tetrachloridoferrate(III)) chloride trihydrate, C21H33Cl9Fe2N12O9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","121","124","10.1515/ncrs-2021-0399","","","0.71073","MoKα","","0.0312","0.0255","","","0.0707","0.0743","","","","","","1.262","","","","has coordinates","274171","2022-03-31","08:22:01",""
"8104978","9.2618","0.0002","12.4066","0.0002","27.2256","0.0005","90","","90","","90","","3128.42","0.1","173.2","0.1","173.2","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 N3 O6 S -","- C32 H49 N3 O6 S -","- C128 H196 N12 O24 S4 -","4","1","","Liu, Si-Jie; Fan, Yuan; Shang, Ruofeng","Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C32H49N3O6S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","125","127","10.1515/ncrs-2021-0403","","x-ray","1.54184","CuKα","","0.058","0.0517","","","0.1293","0.1355","","","","","","1.04","","","","has coordinates","274172","2022-03-31","08:26:39",""
"8104979","28.776","0.0011","41.7393","0.0017","8.5929","0.0003","90","","90","","90","","10320.8","0.7","296.15","","296.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H12 Cl N3 -","- C13 H12 Cl N3 -","- C416 H384 Cl32 N96 -","32","2","","Sun, Guo-Xiang; Min, Li-Jing; Han, Liang; Liu, Xing-Hai","The crystal structure of (E)-3-chloro-2-(2-(4-methylbenzylidene)hydrazinyl)pyridine, C13H12ClN3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","129","131","10.1515/ncrs-2021-0432","","","0.71073","MoKα","","0.1144","0.0477","","","0.0822","0.0976","","","","","","0.934","","","","has coordinates","274173","2022-03-31","08:30:57",""
"8104980","9.4957","0.0003","18.2275","0.0005","9.0896","0.0003","90","","114.372","0.001","90","","1433.05","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Setshedi, Itumeleng B.; Smith, Mark G.","The crystal structure of 4-phenyl-4-[2-(pyridine-4-carbonyl)hydrazinylidene]butanoic acid, C16H15N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","133","134","10.1515/ncrs-2021-0429","","x-ray","0.71073","MoKα","","0.0433","0.038","","","0.098","0.1011","","","","","","1.073","","","","has coordinates","274174","2022-03-31","09:09:58",""
"8104981","7.4851","0.0005","9.6056","0.0006","12.4084","0.0007","109.119","0.003","99.341","0.003","92.334","0.003","827.53","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 I5 N2 O3 -","- C6 H9 I5 N2 O3 -","- C12 H18 I10 N4 O6 -","2","1","","Li, Dan-Xia; Wang, Hai-Jun; Yan, Zhen-Li; Du, Chao-Jun","The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C6H9I5N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","135","136","10.1515/ncrs-2021-0422","","","0.71073","MoKα","","0.0336","0.0234","","","0.0422","0.0449","","","","","","1.061","","","","has coordinates","274175","2022-03-31","09:13:22",""
"8104982","9.129","0.007","11.826","0.009","13.612","0.017","109.954","0.017","98.165","0.016","102.862","0.012","1308","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 O16 Sn4 -","- C44 H56 O16 Sn4 -","- C44 H56 O16 Sn4 -","1","0.5","","Gao, Zhongjun; Zhang, Haifeng","Crystal structure of bis(μ3-oxido)-bis(μ2-2-formylbenzoato-k2 O:O′)-bis(2-(dimethoxymethyl)-benzoato-κO)-oktakismethyl-tetratin(IV)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","137","139","10.1515/ncrs-2021-0404","","","0.71073","MoKα","","0.0378","0.0298","","","0.0739","0.0806","","","","","","1.04","","","","has coordinates","274195","2022-04-01","07:33:25",""
"8104983","8.6766","0.0001","5.9039","0.0001","13.3603","0.0002","90","","96.166","0.001","90","","680.432","0.017","169.98","0.11","169.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","0.5","","Jin, Ze-Sen; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of 2-((E)-(((E)-2-hydroxy-4-methylbenzylidene) hydrazineylidene)methyl)-4-methylphenol, C16H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","141","142","10.1515/ncrs-2021-0411","","x-ray","1.54184","CuKα","","0.0409","0.0395","","","0.1183","0.1195","","","","","","1.061","","","","has coordinates","274196","2022-04-01","07:36:58",""
"8104984","12.3337","0.0003","3.8701","0.0001","24.2368","0.0006","90","","97.644","0.002","90","","1146.61","0.05","170","0.11","170","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 N10 O10 -","- C14 H26 N10 O10 -","- C28 H52 N20 O20 -","2","1","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-jing; Jian, Fang-fang; Liang, Tongling","Crystal structure of (E)-amino(2-((5-methylfuran-2-yl)methylene)hydrazinyl) methaniminium nitrate monohydrate, C14H26N10O10","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","143","145","10.1515/ncrs-2021-0419","","x-ray","1.54184","CuKα","","0.0437","0.04","","","0.106","0.1092","","","","","","1.091","","","","has coordinates","274197","2022-04-01","07:41:07",""
"8104985","4.7305","0.0008","21.252","0.004","13.134","0.002","90","","96.286","0.002","90","","1312.5","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 S -","- C12 H11 Cl N2 O3 S -","- C48 H44 Cl4 N8 O12 S4 -","4","1","","Yu, Haiyan; Wang, Meng","The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C12H11ClN2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","147","148","10.1515/ncrs-2021-0407","","","0.71073","MoKα","","0.0922","0.0519","","","0.1002","0.1118","","","","","","1.073","","","","has coordinates,has disorder","274198","2022-04-01","07:44:11",""
"8104986","6.6263","0.0005","24.355","0.002","18.2418","0.0015","90","","96.433","0.002","90","","2925.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H44 Br4 N8 O8 Zn2 -","- C64 H44 Br4 N8 O8 Zn2 -","- C128 H88 Br8 N16 O16 Zn4 -","2","0.5","","Bai, Xiao-Hui; Xing, Yan; Liu, Si-Jie","Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2 N:N′)-bis(4-bromobenzoate-κ1 O)zinc(II)], C64H44Br4N8O8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","149","151","10.1515/ncrs-2021-0413","","","0.71073","MoKα","","0.065","0.04","","","0.106","0.1302","","","","","","1.032","","","","has coordinates","274199","2022-04-01","07:46:47",""
"8104987","16.4675","0.0012","11.7192","0.0008","9.6663","0.0007","90","","100.823","0.002","90","","1832.3","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 U -","- C16 H11 N O10 U -","- C64 H44 N4 O40 U4 -","4","1","","Meng, Yuning; Xie, Ziyu; Lan, Qiaofa; Niu, Fei; Zhang, Xiaolin; Yang, Youming; Cai, Bin","The crystal structure of catena-poly[(1-(4-carboxybenzyl)pyridin-1-ium-4-carboxylato-κ1O)-(μ2-oxalato-κ4 O:O′:O″:O‴)dioxidouranium(VI)], C16H11NO10U","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","153","155","10.1515/ncrs-2021-0421","","","0.71073","MoKα","","0.0357","0.0277","","","0.0632","0.0673","","","","","","1.054","","","","has coordinates","274200","2022-04-01","07:50:22",""
"8104988","22.175","0.002","5.8375","0.0006","14.8729","0.0014","90","","100.936","0.001","90","","1890.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br O2 -","- C22 H21 Br O2 -","- C88 H84 Br4 O8 -","4","1","","Yu, Haiyan; Li, Jihong","Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-phenylfuran, C22H21BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","157","159","10.1515/ncrs-2021-0412","","","0.71073","MoKα","","0.0624","0.0343","","","0.0745","0.0839","","","","","","1.01","","","","has coordinates,has disorder","274201","2022-04-01","07:53:14",""
"8104989","11.0042","0.0004","20.6209","0.0005","9.2371","0.0003","90","","90","","90","","2096.05","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H11 F4 I2 N3 -","- C21 H11 F4 I2 N3 -","- C84 H44 F16 I8 N12 -","4","0.5","","Wang, Weizhou","Halogen bonds in the crystal structure of 4,3′:5′,4″-terpyridine — 1,3-diiodotetrafluorobenzene (1/1), C21H11F4I2N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","161","163","10.1515/ncrs-2021-0424","","x-ray","0.71073","MoKα","","0.0456","0.0316","","","0.0519","0.0556","","","","","","1.168","","","","has coordinates","274202","2022-04-01","07:56:31",""
"8104990","18.1092","0.0012","8.4026","0.0006","11.6983","0.0008","90","","92.582","0.007","90","","1778.3","0.2","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Yi-Min, Feng; Xi-Shi, Tai","Crystal structure of 2-(1H-indol-3-yl)ethan-1-aminium 2-(4-acetylphenoxy)acetate, C20H22N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","165","167","10.1515/ncrs-2021-0410","","x-ray","0.71073","MoKα","","0.0617","0.0456","","","0.1028","0.1137","","","","","","1.059","","","","has coordinates","274203","2022-04-01","08:00:58",""
"8104991","7.7277","0.0004","19.636","0.0006","10.8656","0.0005","90","","102.124","0.004","90","","1611.98","0.12","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Br4 N4 Se2 -","- C12 H4 Br4 N4 Se2 -","- C48 H16 Br16 N16 Se8 -","4","1","","Wang, Weizhou","Chalcogen bonds in the crystal structure of 4,7-dibromo-2,1,3-benzoselenadiazole, C6H2Br2N2Se","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","169","171","10.1515/ncrs-2021-0425","","x-ray","0.71073","MoKα","","0.0886","0.0482","","","0.1008","0.1175","","","","","","1.026","","","","has coordinates","274204","2022-04-01","08:44:46",""
"8104992","11.2208","0.0008","6.0358","0.0004","14.6702","0.001","90","","92.565","0.001","90","","992.57","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N6 O4 -","- C20 H22 N6 O4 -","- C40 H44 N12 O8 -","2","0.5","","Jia, Aijun; Gong, Zhihai; Li, Ji","The crystal structure of 1,4-bis((1H-benzimidazol-2-yl)methyl)-piperazine-2,5-dione dihydrate, C20H22N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","173","174","10.1515/ncrs-2021-0426","","","0.71073","MoKα","","0.0821","0.0639","","","0.164","0.1726","","","","","","1.064","","","","has coordinates","274205","2022-04-01","08:48:11",""
"8104993","7.0708","0.0004","8.1261","0.0004","16.1067","0.0006","81.252","0.004","81.5","0.004","77.89","0.004","887.88","0.08","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","asperfumin","methyl 3-hydroxy-6-(2-hydroxy-6-methoxy-4-methylbenzoyl)-2,5-dimethoxybenzoate","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Lai, Bao-Long; Zhou, Hai-Ming; Chen, Zan-Hong; Chen, Hui-Ying; Zhang, Qin-Wen; Tao, Yi-Wen","The crystal structure of C19H20O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","175","177","10.1515/ncrs-2021-0405","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.1141","0.1158","","","","","","1.082","","","","has coordinates","274206","2022-04-01","08:50:59",""
"8104994","8.5701","0.0004","8.7278","0.0004","10.4082","0.0005","67.582","0.002","66.167","0.002","77.861","0.002","656.85","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- H16 K Na3 O26 Te8 -","- H16 K Na3 O26 Te8 -","- H16 K Na3 O26 Te8 -","1","0.5","","Geng, Lei","The crystal structure of KNa3Te8O18·5H2O exhibiting a ∞ 2[Te4O9]2− layer","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","179","181","10.1515/ncrs-2021-0415","","","0.71073","MoKα","","0.0186","0.018","","","0.0448","0.0452","","","","","","1.044","","","","has coordinates","274207","2022-04-01","08:54:25",""
"8105172","10.4769","0.0004","10.7829","0.0005","12.9824","0.0005","98.153","0.002","111.484","0.002","105.035","0.002","1271.43","0.1","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Br4 Cu N3 O3 -","- C23 H23 Br4 Cu N3 O3 -","- C46 H46 Br8 Cu2 N6 O6 -","2","1","","Li, Weili; Bo, Yang","Crystal structure of {2,2′-{cyclohexane-1,2-diylbis[(azanylylidene)methylylidene]}bis(2,4-dibromophenolato)-κ4 N,N′,O,O′}copper(II) ─ diethylformamide (1/1), C23H23Br4CuN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","185","187","10.1515/ncrs-2021-0379","","","0.71073","MoKα","","0.0429","0.0338","","","0.0924","0.1158","","","","","","1.136","","","","has coordinates","275259","2022-05-09","06:57:08",""
"8105173","4.8318","0.0008","26.59","0.004","11.821","0.002","90","","91.05","0.004","90","","1518.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O3 -","- C21 H14 O3 -","- C84 H56 O12 -","4","1","","Sun, An-Na; Huang, Xiao-Bo; Wu, Deng-Ze","The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","189","190","10.1515/ncrs-2021-0442","","","0.71073","MoKα","","0.0731","0.0401","","","0.0878","0.1038","","","","","","1.012","","","","has coordinates","275260","2022-05-09","07:39:31",""
"8105174","6.612","0.004","8.8","0.005","13.777","0.008","83.219","0.007","79.329","0.006","78.744","0.006","769.8","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H19 N5 -","- C18 H19 N5 -","- C36 H38 N10 -","2","1","","Gaoxiang, Meng; Yang, Yongming; Li, Qiang; Li, Zhou","Crystal structure of bis((1-methylbenzimidazol-2-yl)methyl)amine, C18H19N5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","191","193","10.1515/ncrs-2021-0430","","","0.71073","MoKα","","0.045","0.0393","","","0.0999","0.1043","","","","","","1.042","","","","has coordinates","275261","2022-05-09","07:48:06",""
"8105175","9.0752","0.0002","9.1969","0.0002","9.9519","0.0002","112.706","0.0008","92.4309","0.0008","115.278","0.0007","671.16","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(1-(2-hydroxy-4-methoxyphenyl)ethylidene)\ isonicotinohydrazide","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","Crystal structure of (E)-N′-(1-(2-hydroxy-4-methoxyphenyl)ethylidene) isonicotinohydrazide, C15H15N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","195","197","10.1515/ncrs-2021-0435","","","0.71073","MoKα","","0.0413","0.0347","","","0.106","0.1113","","","","","","1.061","","","","has coordinates","275262","2022-05-09","07:49:25",""
"8105176","9.7864","0.0002","15.5709","0.0003","18.7774","0.0004","90","","90","","90","","2861.36","0.1","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-((4-phenyl-5-(pyridin-4-yl)-4<i>H</i>-1,2,4-triazol-3-yl)thio)acetonitrile","","- C15 H11 N5 S -","- C15 H11 N5 S -","- C120 H88 N40 S8 -","8","1","","Sun, Guo-Xiang; Min, Li-Jing; Han, Liang; Liu, Xing-Hai","Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C15H11N5S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","199","200","10.1515/ncrs-2021-0431","","","0.71073","MoKα","","0.0974","0.0485","","","0.116","0.139","","","","","","1.014","","","","has coordinates","275263","2022-05-09","07:52:29",""
"8105177","6.165","0.012","7.192","0.013","7.829","0.015","74.97","0.02","81.92","0.02","79.84","0.02","328.3","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","2,2'-((1E,1'E)-hydrazine-1,2-diylidenebis(methaneylylidene))bis(4-chlorophenol)","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","1","0.5","","Fan, Xu; Liu, Ke-Xiang; Zhu, Hong-Yu; Li, Zhong-Yan; Yuan, Lin","The crystal structure of 2,2′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene))bis(4-chlorophenol), C14H10Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","201","202","10.1515/ncrs-2021-0438","","","0.71073","MoKα","","0.0354","0.0312","","","0.0823","0.0859","","","","","","1.069","","","","has coordinates","275264","2022-05-09","07:54:54",""
"8105178","10.256","0.003","17.11","0.005","7.967","0.003","90","","104.361","0.004","90","","1354.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl2 N5 Zn -","- C11 H9 Cl2 N5 Zn -","- C44 H36 Cl8 N20 Zn4 -","4","0.5","","Usman, Rabia; Khan, Arshad; Khan, Amjad; Refat, Moamen S.; Alsaedi, Amani M. R.; Rahman, Faiz-Ur","Dichlorido-{2,6-bis(4,5-dihydro-1H-pyrazol-3-yl)pyridine-κ3 N,N′,N″}zinc(II), C11H9C12N5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","203","204","10.1515/ncrs-2021-0441","","","0.71073","MoKα","","0.0342","0.027","","","0.0645","0.0659","","","","","","0.943","","","","has coordinates","275265","2022-05-09","07:59:57",""
"8105179","11.99","0.003","13.027","0.003","9.73","0.002","90","","92.163","0.004","90","","1518.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N4 Pd -","- C14 H12 Cl2 N4 Pd -","- C56 H48 Cl8 N16 Pd4 -","4","1","","Si, Xiang; Yan, Qiong","The crystal structure of dichlorido-(2-((4-phenyl-2H-1,2,3-triazol-2-yl)methyl)pyridine-κ2 N,N′)palladium(II), C14H12Cl2N4Pd","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","205","206","10.1515/ncrs-2021-0449","","","0.71073","MoKα","","0.0381","0.029","","","0.0809","0.0856","","","","","","1.083","","","","has coordinates","275266","2022-05-09","08:10:26",""
"8105180","10.0914","0.0006","11.8919","0.0007","15.5451","0.0011","90","","102.321","0.006","90","","1822.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine","","- C18 H21 N5 O2 -","- C18 H21 N5 O2 -","- C72 H84 N20 O8 -","4","1","","Al-Qawasmeh, Raed A.; Saber, Sadeekah O. W.; Al-Soud, Yaseen A.; Khanfar, Monther A.","The crystal structure of 1-(N1-benzyl-2-methyl-4-nitro-imidazol-5-yl)-4-(prop-2-yn-1-yl) piperazine, C18H21N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","207","209","10.1515/ncrs-2021-0447","","x-ray","0.71073","MoKα","","0.0973","0.0503","","","0.12","0.1419","","","","","","1.033","","","","has coordinates","275267","2022-05-09","08:14:15",""
"8105181","24.73","0.005","11.776","0.002","9.686","0.0019","90","","109.09","0.03","90","","2665.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Ag Cl N6 O4 -","- C9 H9 Ag Cl N6 O4 -","- C72 H72 Ag8 Cl8 N48 O32 -","8","1","","Wang, Hua-Rui","Crystal structure of (μ4-(1,2,4,5-tetra(1,2,4-triazol-1-ylmethyl)-benzene-κ4 N:N1:N2:N3 )disilver(I) diperchlorate","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","211","213","10.1515/ncrs-2021-0437","","","0.71073","MoKα","","0.0805","0.0646","","","0.1965","0.2177","","","","","","1.094","","","","has coordinates,has disorder","275268","2022-05-09","08:18:07",""
"8105182","11.437","0.0004","6.9921","0.0002","22.8443","0.0009","90","","90","","90","","1826.83","0.11","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br N5 O4 -","- C5 H6 Br N5 O4 -","- C40 H48 Br8 N40 O32 -","8","1","","Jiaxiang, Zhao; Pengbao, Lian; Jun, Chen; Chong, Li; Jianlong, Wang","The crystal structure of 1-(2-bromoethane)-4-amine-3,5-dinitropyrazole, C5H6Br1N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","215","216","10.1515/ncrs-2021-0459","","","0.71073","MoKα","","0.0458","0.0357","","","0.0982","0.1062","","","","","","1.049","","","","has coordinates","275269","2022-05-09","08:22:24",""
"8105183","5.075","0.004","11.147","0.008","13.319","0.009","106.064","0.01","96.091","0.011","98.189","0.01","708.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C30 H30 N2 O10 -","2","1","","Wang, Yin-Xin; Qin, Kun; Wang, Rui; Zhang, Wen-Li; Zhong, Qi-Di","Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","217","218","10.1515/ncrs-2021-0450","","","0.71073","MoKα","","0.0611","0.0444","","","0.1403","0.1581","","","","","","1.03","","","","has coordinates","275270","2022-05-09","08:34:02",""
"8105184","10.095","0.002","13.38","0.003","14.968","0.005","90","","115.16","0.02","90","","1829.9","0.9","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cd N6 O5 -","- C17 H15 Cd N6 O5 -","- C68 H60 Cd4 N24 O20 -","4","1","","Wang, Hua-Rui","The crystal structure of poly[diaqua-(μ2-1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ2N:N′)-bis(μ3-terephthalato-κ3O:O′:O′′)dicadmium(II)], C17H15N6O5Cd","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","219","221","10.1515/ncrs-2021-0427","","","0.71073","MoKα","","0.03","0.0267","","","0.0584","0.0602","","","","","","1.086","","","","has coordinates","275271","2022-05-09","08:38:34",""
"8105185","33.781","0.004","5.2087","0.0006","7.2979","0.0008","90","","90","","90","","1284.1","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C52 H44 Cl4 N8 O8 S4 -","4","1","","Li, Cui-Cui; Zhang, Li","Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","223","224","10.1515/ncrs-2021-0461","","","0.71073","MoKα","","0.0605","0.0429","","","0.1088","0.1267","","","","","","1.006","","","","has coordinates","275272","2022-05-09","08:50:12",""
"8105186","29.3826","0.0017","10.3153","0.0005","19.9407","0.0012","90","","107.263","0.006","90","","5771.6","0.6","199.99","0.1","199.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Co N4 O5 -","- C34 H26 Co N4 O5 -","- C272 H208 Co8 N32 O40 -","8","1","","Tai, Xi-Shi; Xia, Yu-Pei","The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylato-k2 N,O)cobalt(II)]-monohydrate, C36H26N4O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","225","227","10.1515/ncrs-2021-0473","","x-ray","0.71073","MoKα","","0.0425","0.0341","","","0.0728","0.0777","","","","","","1.061","","","","has coordinates","275273","2022-05-09","08:55:15",""
"8105187","9.7353","0.0013","13.779","0.0018","10.5227","0.0013","90","","97.961","0.002","90","","1397.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C56 H52 Cl4 N8 O16 -","4","1","","Xu, Xue-Li; Li, Jin","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-3-hydroxybenzo-hydrazide monohydrate, C14H13ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","229","230","10.1515/ncrs-2021-0465","","","0.71073","MoKα","","0.0466","0.0367","","","0.1106","0.1181","","","","","","1.087","","","","has coordinates","275274","2022-05-09","08:58:51",""
"8105188","9.5083","0.0017","10.744","0.002","12.188","0.002","80.109","0.004","84.876","0.004","88.758","0.003","1221.7","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N14 Ni2 S8 -","- C42 H30 N14 Ni2 S8 -","- C42 H30 N14 Ni2 S8 -","1","0.5","","Liu, Xue-Guo; Chen, Wan-Yao; Pan, Hui-Yan","Crystal structure of 1,1′-(methylene)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C42H30N14Ni2S8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","231","233","10.1515/ncrs-2021-0434","","","0.71073","MoKα","","0.0318","0.0268","","","0.0668","0.0701","","","","","","1.045","","","","has coordinates","275275","2022-05-09","09:02:44",""
"8105189","8.519","0.003","8.5956","0.0016","8.6531","0.0017","116.404","0.003","94.574","0.004","103.031","0.004","541","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N6 Ni S4 -","- C20 H14 N6 Ni S4 -","- C20 H14 N6 Ni S4 -","1","0.5","","Yan, Wei-Hong; Chen, Wan-Yao","Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C20H14N6NiS4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","235","236","10.1515/ncrs-2021-0433","","","0.71073","MoKα","","0.0611","0.0445","","","0.0992","0.1147","","","","","","1.046","","","","has coordinates","275276","2022-05-09","09:07:00",""
"8105190","14.2289","0.001","6.1881","0.0004","7.5592","0.0005","90","","90","","90","","665.59","0.08","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","0.5","","Cong, Chen; Yun, Xiao; Chong, Li; LiZhen, Chen; Jianlong, Wang","The crystal structure of 1-methyl-1H-pyrazol-2-ium nitrate, C4H7O3N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","237","238","10.1515/ncrs-2021-0474","","","0.71073","MoKα","","0.0619","0.0427","","","0.098","0.1098","","","","","","1.082","","","","has coordinates,has disorder","275277","2022-05-09","09:10:04",""
"8105191","10.4701","0.0007","10.6331","0.0007","20.4665","0.0014","92.079","0.002","97.937","0.002","95.848","0.002","2242","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 O2 Se2 -","- C46 H60 N6 O2 Se2 -","- C92 H120 N12 O4 Se4 -","2","1","","Xu, Xin-Yue; Huang, Xiao-Bo; Wu, Deng-Ze","The crystal structure of 4,4′-diselanediylbis(8-(hexyloxy)-3,6-dimethyl-1-(piperidin-1-yl)isoquinoline-7-carbonitrile), C46H60N6O2Se2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","239","242","10.1515/ncrs-2021-0456","","","0.71073","MoKα","","0.0913","0.0487","","","0.0971","0.1183","","","","","","1.021","","","","has coordinates,has disorder","275278","2022-05-09","09:13:55",""
"8105192","9.3064","0.0009","17.7311","0.0018","11.0556","0.0011","90","","105.317","0.001","90","","1759.5","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N3 P Se -","- C18 H18 N3 P Se -","- C72 H72 N12 P4 Se4 -","4","1","","Wu, Gui-Ling","The crystal structure of tris(6-methylpyridin-2-yl)phosphine selenide, C18H18N3PSe","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","243","245","10.1515/ncrs-2021-0455","","","0.71073","MoKα","","0.0449","0.0365","","","0.0886","0.0919","","","","","","1.067","","","","has coordinates","275279","2022-05-09","09:17:44",""
"8105193","9.2565","0.0011","16.629","0.002","11.2944","0.0013","90","","108.945","0.004","90","","1644.3","0.3","170","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N8 O9 -","- C11 H12 N8 O9 -","- C44 H48 N32 O36 -","4","1","","Wang, Yong; Wu, Bingheng; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen","The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","247","248","10.1515/ncrs-2021-0476","","","","","","0.1","0.0528","","","0.1121","0.1427","","","","","","1.032","","","","has coordinates","275280","2022-05-09","09:20:12",""
"8105194","7.1945","0.0002","16.1805","0.0004","17.7912","0.0005","90","","90","","90","","2071.08","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H20 N4 Ni O14 -","- C16 H16 N4 Ni O14 -","- C64 H64 N16 Ni4 O56 -","4","0.5","","Liu, Xu; Meng, Xiang-Ru","Crystal structure of [diaqua[2,2′-(1,2-phenylene)bis(1H-imidazole-4-carboxylato-5-carboxy)-κ4 N,N′,O,O′]nickel(II)] tetrahydrate, C16H12N4NiO10·4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","249","251","10.1515/ncrs-2021-0463","","","0.71073","MoKα","","0.0448","0.0353","","","0.0942","0.0997","","","","","","1.053","","","","has coordinates,has disorder","275288","2022-05-10","07:31:47",""
"8105195","16.097","0.002","9.8309","0.0013","17.349","0.002","90","","90","","90","","2745.4","0.6","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N6 -","- C13 H16 N6 -","- C104 H128 N48 -","8","1","","Wu, Gui-Ling","The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C13H16N6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","253","254","10.1515/ncrs-2021-0467","","","0.71073","MoKα","","0.0574","0.0434","","","0.1167","0.1302","","","","","","1.039","","","","has coordinates","275289","2022-05-10","07:47:19",""
"8105196","7.9032","0.0002","9.0843","0.0003","10.8051","0.0002","85.231","0.001","85.027","0.001","71.013","0.002","729.54","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Cl2 N2 O2 -","- C17 H8 Cl2 N2 O2 -","- C34 H16 Cl4 N4 O4 -","2","1","","Chen, Jie; Zhu, Hengmei; Cai, Zhigang; Hu, Jing; Shen, Lili; Zhang, Yali; Xu, Xiaoping","The crystal structure of 5,6-dichloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H8Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","255","256","10.1515/ncrs-2021-0454","","x-ray","1.54184","CuKα","","0.0425","0.0417","","","0.1043","0.1051","","","","","","1.095","","","","has coordinates","275290","2022-05-10","07:53:55",""
"8105197","8.721","0.005","12.116","0.005","13.413","0.005","88.87","0.005","86.304","0.005","80.568","0.005","1395.1","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N8 O2 -","- C32 H28 N8 O2 -","- C64 H56 N16 O4 -","2","1","","Liu, Jie; Liang, Qirui; Li, Jie; Xiao, Lufei","Crystal structure of (E)-(2-methoxy-benzylidene)-(4-[1,2,4]triazol-1-yl-phenyl)-amine, C16H14N4O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","257","259","10.1515/ncrs-2021-0479","","","0.71069","MoKα","","0.0613","0.0543","","","0.1543","0.1645","","","","","","1.036","","","","has coordinates","275291","2022-05-10","07:56:52",""
"8105198","10.8839","0.0014","14.2825","0.0018","13.0717","0.0016","90","","108.618","0.003","90","","1925.6","0.4","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H18 Br N3 O4 S -","- C18 H18 Br N3 O4 S -","- C72 H72 Br4 N12 O16 S4 -","4","1","","Feng, Yunqian; Ye, Jianghai; Wang, Peng; Tai, Shuqiong; Lang, Tianqiong","The crystal structure of (Z)-2-(4-(4-bromophenyl)thiazol-2-yl)-4-(3-hydroxybut-2-enoyl)-5-methyl -1,2-dihydro-3H-pyrazol-3-one – methanol (1/1), C18H18N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","261","263","10.1515/ncrs-2021-0451","","","0.71076","MoKα","","0.0727","0.0359","","","0.071","0.0812","","","","","","1.006","","","","has coordinates","275292","2022-05-10","08:01:09",""
"8105199","6.5913","0.0004","9.5211","0.0005","10.4936","0.0006","63.742","0.004","84.551","0.005","76.038","0.005","573.09","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","erbium nitrate pentahydrate","Tetraaqua-trinitrato(V)-erbium(III) Monohydrate","","- Er H10 N3 O14 -","- Er H10 N3 O14 -","- Er2 H20 N6 O28 -","2","1","","Klein, Wilhelm","Crystal structure of tetraaqua-tris(nitrato-κ2 O,O′) erbium(III) monohydrate, Er(NO3)3·5H2O, H10ErN3O14","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","265","266","10.1515/ncrs-2021-0484","","","0.71073","MoKα","","0.0163","0.0141","","","0.0315","0.0318","","","","","","0.971","","","","has coordinates","275293","2022-05-10","08:04:52",""
"8105200","8.4556","0.0002","7.0609","0.0003","9.5928","0.0004","90","","90.12","0.02","90","","572.73","0.04","140","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N3 O3 -","- C4 H5 N3 O3 -","- C16 H20 N12 O12 -","4","1","","Yuan, Jun; Wu, Bingheng; Wang, Yong; Wang, Jianlong; Cao, Duanlin; Chen, Lizhen","The crystal structure of 1-methyl-2-nitro-1H-imidazole 3-oxide, C4H5N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","267","268","10.1515/ncrs-2021-0481","","","","","","0.0407","0.0339","","","0.0854","0.0914","","","","","","1.084","","","","has coordinates","275294","2022-05-10","08:16:33",""
"8105201","4.0668","0.0013","11.198","0.004","6.137","0.002","90","","97.033","0.011","90","","277.38","0.16","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C8 H10 N6 O4 -","2","1","","Qiao, Yanan; Yuan, Jun; Wan, Changyuan; Li, Yuexia; Wang, Yong","The crystal structure of 1-methyl-2-nitroimidazole, C4H5N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","269","270","10.1515/ncrs-2021-0482","","","0.71073","MoKα","","0.068","0.0444","","","0.0913","0.1048","","","","","","1.027","","","","has coordinates","275295","2022-05-10","08:21:14",""
"8105202","6.3017","0.0007","6.9235","0.0007","8.2333","0.0008","100.604","0.003","90.862","0.004","108.102","0.004","334.6","0.06","170","2","170","","","","","","","","","4","P -1","-P 1","2","2-carboxyl-4-Nitroimidazol","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C8 H10 N6 O10 -","2","1","","Wan, Changyuan; Yuan, Jun; Wang, Yong; Qiao, Yanan","The crystal structure of 2-carboxyl-4-nitroimidazole monohydrate, C4H5N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","271","272","10.1515/ncrs-2021-0483","","","0.71073","MoKα","","0.1135","0.0616","","","0.1159","0.1414","","","","","","1.086","","","","has coordinates,has disorder","275296","2022-05-10","08:25:35",""
"8105203","11.52","0.001","12.196","0.001","15.385","0.002","73.2","0.01","75.18","0.01","86.81","0.01","2000.1","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H78 F12 I2 O2 P4 Pt2 -","- C86 H78 F12 I2 O2 P4 Pt2 -","- C86 H78 F12 I2 O2 P4 Pt2 -","1","0.5","","Petz, Wolfgang; Neumüller, Bernhard","Crystal structure of bis[hydrido-hexaphenylcarbodiphosphoran][tetra-trifluoromethyl-(μ-diiodo)-diplatinat]","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","273","275","10.1515/ncrs-2021-0460","","","0.71073","MoKα","","0.1148","0.0631","","","0.1525","0.1759","","","","","","0.96","","","","has coordinates","275297","2022-05-10","08:28:26",""
"8105204","6.7015","0.0005","7.5656","0.0005","14.1332","0.0008","97.08","0.005","93.159","0.005","112.125","0.007","654.71","0.08","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 N3 Na O5 S -","- C10 H14 N3 Na O5 S -","- C20 H28 N6 Na2 O10 S2 -","2","1","","Tai, Xi-Shi; Wang, Li-Hua; Xia, Yu-Pei","The crystal structure of poly[μ2-aqua- aqua-(μ3-(E)-2-(4-((2-carbamothioylhydrazineylidene)methyl)phenoxy)acetato-κ3 O:S:S)sodium(I)], C10H14N3O5SNa","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","277","279","10.1515/ncrs-2022-0006","","x-ray","0.71073","MoKα","","0.0433","0.0357","","","0.0818","0.0872","","","","","","1.08","","","","has coordinates","275298","2022-05-10","08:31:39",""
"8105205","7.4941","0.0003","12.8731","0.0004","15.8688","0.0005","90","","93.042","0.003","90","","1528.74","0.09","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 Cl6 N2 Sn -","- C10 H10 Cl6 N2 Sn -","- C40 H40 Cl24 N8 Sn4 -","4","0.5","","Reiss, Guido J.; van Megen, Martin","The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C10H10N2SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","281","284","10.1515/ncrs-2021-0443","","","0.71073","MoKα","","0.0434","0.0264","","","0.0467","0.0485","","","","","","1.033","","","","has coordinates","275299","2022-05-10","08:34:54",""
"8105206","17.2931","0.0015","10.3584","0.0005","17.5641","0.0016","90","","120.18","0.012","90","","2719.8","0.5","199.99","0.1","199.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cu N4 O4 -","- C34 H24 Cu N4 O4 -","- C136 H96 Cu4 N16 O16 -","4","0.5","","Yi-Min, Feng; Xi-Shi, Tai; Yu-Pei, Xia","The crystal structure of [(2,2′-bipyridine-k2 N,N)-bis(6-phenylpyridine-2-carboxylate-k2 N,O)copper(II)], C34H24N4O4Cu","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","285","287","10.1515/ncrs-2021-0486","","x-ray","0.71073","MoKα","","0.031","0.0282","","","0.0667","0.0681","","","","","","1.054","","","","has coordinates","275300","2022-05-10","09:12:45",""
"8105207","6.9693","0.0003","8.6514","0.0005","13.6726","0.0008","72.774","0.005","81.547","0.004","74.37","0.004","756.26","0.07","290.7","0.3","290.7","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br N O6 -","- C14 H14 Br N O6 -","- C28 H28 Br2 N2 O12 -","2","1","","Wei-Wei, Yuan","Crystal structure of trans-1,2-bis(pyridinium-4-yl) ethylene bis(2-carboxy-4-bromobenzoate) – water (1/4), C14H14BrNO6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","289","291","10.1515/ncrs-2022-0002","","x-ray","0.71073","MoKα","","0.044","0.0341","","","0.0656","0.0689","","","","","","1.0562","","","","has coordinates","275320","2022-05-11","07:40:59",""
"8105208","9.894","0.002","9.942","0.002","10.896","0.002","94.35","0.03","96.8","0.03","93.35","0.03","1058.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cd4 N12 O19 -","- C34 H32 Cd4 N12 O19 -","- C34 H32 Cd4 N12 O19 -","1","0.5","","Wang, Hua-Rui","Crystal structure of poly[diaqua-(μ3-fumarato)-(μ3-maleato)-(μ4-1,2,4,5-tetrakis((1H-1,2,4-triazol-1-yl)methyl)benzene)tetracadmium(II)] dihydrate, C34H32N12O9Cd4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","293","295","10.1515/ncrs-2021-0475","","","0.71073","MoKα","","0.0477","0.0406","","","0.0933","0.0984","","","","","","1.062","","","","has coordinates,has disorder","275321","2022-05-11","07:45:51",""
"8105209","7.3948","0.0003","24.2947","0.0009","17.3201","0.0006","90","","93.063","0.001","90","","3107.2","0.2","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,4'-dihydroxy-3,7,3'-tyimethoxy-flavone","","- C36 H32 O14 -","- C36 H32 O14 -","- C144 H128 O56 -","4","1","","Xu, Chuan-Yan; Dong, Ming-Hong; Ye, Jiang-Hai; Zhao, Chen-Liang; Zou, Juan; Zhang, Jing-Jie","Crystal structure of a second modification of Pachypodol, C18H16O7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","297","299","10.1515/ncrs-2021-0490","","","0.71076","MoKα","","0.0586","0.0427","","","0.1123","0.1241","","","","","","1.032","","","","has coordinates","275322","2022-05-11","07:49:48",""
"8105210","29.9636","0.0009","20.4","0.0003","14.2266","0.0004","90","","132.845","0.005","90","","6376","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N4 O5 -","- C34 H36 N4 O5 -","- C272 H288 N32 O40 -","8","1","","Zhang, Youlu; Ma, Fengwei; Zhang, Bo; Mi, Xia; Zhang, Jingyu","Crystal structure of methyl 2-(4-(2-(cyclopentyl-amino)-1-(N-(4-methoxyphenyl)-1-methyl-5-phenyl-1-H-pyrazole-3-carboxamido)-2-oxoethyl)phenyl)acetate, C34H36N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","301","303","10.1515/ncrs-2021-0458","","x-ray","1.54184","CuKα","","0.0668","0.0544","","","0.1597","0.1735","","","","","","1.062","","","","has coordinates,has disorder","275323","2022-05-11","07:55:17",""
"8105211","18.2546","0.0014","11.051","0.0007","16.1874","0.0015","90","","119.605","0.011","90","","2839.2","0.5","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H24 N4 O4 Zn -","- C34 H24 N4 O4 Zn -","- C136 H96 N16 O16 Zn4 -","4","0.5","","Wang, Li-Hua; Tai, Xi-Shi; Xia, Yu-Pei","The crystal structure of catena-poly[(m2-4,4′-bipyridine-κ2 N:N)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O) zinc(II)], C34H24N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","305","307","10.1515/ncrs-2022-0003","","x-ray","0.71073","MoKα","","0.0361","0.0302","","","0.0662","0.0694","","","","","","1.047","","","","has coordinates","275324","2022-05-11","07:58:24",""
"8105212","6.7755","0.0002","9.8181","0.0003","11.0775","0.0004","87.717","0.001","78.297","0.001","70.804","0.001","681.18","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H15 Mg N7 O12 -","- C3 H15 Mg N7 O12 -","- C6 H30 Mg2 N14 O24 -","2","1","","Tong, Zhang; Guangyuan, Zhang; Zishuai, Xu; Jian, Ruan; Lizhen, Chen; Jianlong, Wang","The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C3H15MgN7O12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","309","310","10.1515/ncrs-2022-0005","","","0.71073","MoKα","","0.0493","0.0382","","","0.0985","0.1083","","","","","","1.074","","","","has coordinates","275325","2022-05-11","08:01:10",""
"8105213","17.1347","0.0011","3.8441","0.0002","18.4127","0.0012","90","","97.861","0.002","90","","1201.4","0.13","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br Cl N2 -","- C14 H8 Br Cl N2 -","- C56 H32 Br4 Cl4 N8 -","4","1","","Zhang, Lilei; Cheng, Tianyu","The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C14H9BrClN2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","311","313","10.1515/ncrs-2022-0008","","","0.71073","MoKα","","0.059","0.0388","","","0.1107","0.1302","","","","","","0.9","","","","has coordinates","275326","2022-05-11","08:04:31",""
"8105214","8.9297","0.0012","10.9926","0.0015","12.6758","0.0018","104.532","0.002","96.312","0.002","112.398","0.002","1083.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N5 O4 -","- C26 H17 N5 O4 -","- C52 H34 N10 O8 -","2","1","","Li, Pei-Xuan; Hui, Wei; Jing, Qin-Qin","Crystal structure of methyl 4-{[4-(4-cyanobenzamido)phenyl]amino}benzofuro[2,3-d]pyrimidine-6-carboxylate, C26H17N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","315","317","10.1515/ncrs-2022-0013","","","0.71073","MoKα","","0.0596","0.0398","","","0.1031","0.1195","","","","","","1.023","","","","has coordinates","275327","2022-05-11","08:07:34",""
"8105215","26.2014","0.0007","7.5932","0.0001","17.9766","0.0004","90","","109.217","0.003","90","","3377.2","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl2 N4 O2 -","- C15 H16 Cl2 N4 O2 -","- C120 H128 Cl16 N32 O16 -","8","2","","Tzvetkov, Nikolay T.; Peeva, Martina I.; Tsakovska, Ivanka; Milella, Luigi; Pajeva, Ilza; Stammler, Hans-Georg","The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","319","321","10.1515/ncrs-2022-0016","","x-ray","1.54184","CuKα","","0.0608","0.0503","","","0.1356","0.1411","","","","","","1.053","","","","has coordinates,has disorder","275328","2022-05-11","08:10:33",""
"8105216","27.5427","0.0011","27.5427","0.0011","7.733","0.0004","90","","90","","120","","5080.3","0.4","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C63 H63 La O27 -","- C63 H63 La O27 -","- C189 H189 La3 O81 -","3","0.333333","","Han, Yingying; Feng, Sisi; Lu, Liping","Crystal structure of catena-poly[{μ2-3-carboxy-2,3-bis((4-methylbenzoyl)oxy)propanoato-κ2 O:O′}tris(methanol-κ1 O)lanthanum(III)], C63H63LaO27","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","323","325","10.1515/ncrs-2022-0022","","","0.71","synchrotron","","0.0368","0.0368","","","0.0959","0.0959","","","","","","1.068","","","","has coordinates","275329","2022-05-11","08:14:09",""
"8105687","10.655","0.005","5.056","0.005","28.712","0.005","90","0.005","99.034","0.005","90","0.005","1527.6","1.7","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Xiao, Lufei; Li, Jie; Liang, Qirui; Liu, Jie","Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","327","329","10.1515/ncrs-2022-0018","","","0.71069","MoKα","","0.0693","0.052","","","0.1406","0.1611","","","","","","1.026","","","","has coordinates,has disorder","277369","2022-08-24","07:31:22",""
"8105688","7.1053","0.0011","8.3014","0.0012","11.0297","0.0016","85.81","0.002","79.896","0.002","87.055","0.002","638.28","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C30 H30 N2 O6 -","2","1","","Wang, Jie; Luo, Li-Sha; Deng, Yu-Cong; Li, Zhong-Chao; Peng, Da-Yong","Crystal structure of 6-methyl-3-(pyrrolidine-1-carbonyl)-2H-chromen-2-one, C15H15N1O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","331","333","10.1515/ncrs-2022-0011","","","0.71073","MoKα","","0.0433","0.0371","","","0.1","0.1062","","","","","","1.063","","","","has coordinates","277370","2022-08-24","07:34:23",""
"8105689","19.1903","0.0007","18.4525","0.0006","9.2197","0.0003","90","","95.879","0.001","90","","3247.61","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O4 -","- C6 H11 N O4 -","- C96 H176 N16 O64 -","16","4","","Tong, Hongjuan; Tang, Wenqiang","Crystal structure of 4-methyl-4-nitropentanoic acid, C6H11NO4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","335","337","10.1515/ncrs-2022-0015","","","0.71073","MoKα","","0.0864","0.0495","","","0.1","0.1194","","","","","","1.04","","","","has coordinates","277372","2022-08-24","08:08:54",""
"8105690","3.7589","0.0005","19.493","0.002","8.418","0.001","90","","102.591","0.004","90","","601.97","0.12","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C28 H20 N4 O4 -","4","1","","Zhang, Lilei; Mi, Tianyu","The crystal structure of (E)-3-(furan-2-yl)acrylonitrile, C7H5NO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","339","340","10.1515/ncrs-2022-0036","","","0.71073","MoKα","","0.0764","0.0502","","","0.1126","0.1274","","","","","","1.099","","","","has coordinates","277373","2022-08-24","08:20:10",""
"8105691","11.6524","0.001","11.9777","0.001","15.9058","0.0013","90","","90","","90","","2220","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N4 O2 -","- C23 H26 F2 N4 O2 -","- C92 H104 F8 N16 O8 -","4","1","","Zhong, Liang; Wang, Jiu-Long; Zhu, Shuang-Shi; Chen, Shang-Xing; Peng, Da-Yong","Crystal structure of 3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanoacridin-9-yl)-1H-pyrazole-4-carboxamide monohydrate, C23H26F2N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","341","343","10.1515/ncrs-2022-0030","","","0.71073","MoKα","","0.0375","0.0305","","","0.0697","0.0751","","","","","","1.023","","","","has coordinates","277374","2022-08-24","08:23:23",""
"8105692","4.3665","0.0003","22.5576","0.0017","12.1286","0.001","90","","99.028","0.007","90","","1179.84","0.16","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br Cl N O -","- C12 H9 Br Cl N O -","- C48 H36 Br4 Cl4 N4 O4 -","4","1","","Lu, Zhi-Qiang","Crystal structure of 2-(4-bromobenzyloxy)-6-chloropyridine, C12H9BrClNO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","345","346","10.1515/ncrs-2022-0026","","x-ray","0.71073","MoKα","","0.1288","0.0595","","","0.1244","0.1451","","","","","","1.016","","","","has coordinates","277376","2022-08-24","08:45:27",""
"8105693","9.2229","0.0013","14.709","0.002","8.6472","0.0013","90","","104.851","0.003","90","","1133.9","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br Cl2 N3 -","- C10 H6 Br Cl2 N3 -","- C40 H24 Br4 Cl8 N12 -","4","1","","Zhu, Zhoujing; Liu, Bin; Xu, Xiaona","Crystal structure of N-(4-bromo-2,6-dichloro-phenyl)pyrazin-2-amine, C10H6BrCl2N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","347","349","10.1515/ncrs-2022-0017","","","0.71073","MoKα","","0.0469","0.0312","","","0.0778","0.0839","","","","","","1.04","","","","has coordinates","277377","2022-08-24","08:57:33",""
"8105694","5.4092","0.0002","23.9605","0.0008","9.4887","0.0003","90","","96.08","0.001","90","","1222.89","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Maluleka, Marole M; Mphahlele, Malose J","Crystal structure of (E)-1-(2–nitrophenyl)-3-phenylprop-2-en-1-one, C15H11NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","351","353","10.1515/ncrs-2022-0032","","x-ray","0.71073","MoKα","","0.0392","0.0358","","","0.0864","0.0888","","","","","","1.109","","","","has coordinates","277378","2022-08-24","09:00:46",""
"8105695","10.12","0.004","13.823","0.006","16.48","0.007","90","","91.744","0.008","90","","2304.3","1.7","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C96 H72 Cl8 F8 N24 -","8","2","","Zheng, Bin-Yu; Sun, Na-Bo; Chen, Xue-Song; Liu, Xing-Hai","The crystal structure of (E)-3-chloro-2-(2-(4-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","355","356","10.1515/ncrs-2021-0489","","","0.71073","MoKα","","0.0512","0.0402","","","0.0879","0.0932","","","","","","1.054","","","","has coordinates","277379","2022-08-24","09:03:30",""
"8105696","7.6977","0.0002","11.5353","0.0003","11.7533","0.0003","67.973","0.002","87.916","0.002","88.347","0.002","966.69","0.05","170.01","0.1","170.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N12 O6 S2 -","- C10 H16 N12 O6 S2 -","- C20 H32 N24 O12 S4 -","2","1","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-jing; Li, Zhuang-yu; Jian, Fang-fang; Liang, Tongling","Crystal structure of (E)-amino(2-(thiazol-2-ylmethylene)hydrazineyl)methaniminium nitrate, C10H16N12O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","357","359","10.1515/ncrs-2022-0007","","x-ray","0.71073","MoKα","","0.0318","0.029","","","0.0801","0.0818","","","","","","1.044","","","","has coordinates","277380","2022-08-24","09:05:58",""
"8105697","6.7562","0.0005","9.552","0.0006","11.4227","0.0008","97.206","0.005","102.335","0.006","108.614","0.007","667.39","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N4 O -","- C15 H18 N4 O -","- C30 H36 N8 O2 -","2","1","","Zhang, Qiu Yu; Yu, Yu","Crystal structure of 9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrido [1′,2′:1,6]pyrazino[2,3-b]quinoxaline, C15H18N4O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","361","363","10.1515/ncrs-2022-0012","","x-ray","0.71073","MoKα","","0.0586","0.048","","","0.1255","0.1388","","","","","","1.048","","","","has coordinates","277381","2022-08-24","09:08:39",""
"8105698","12.3887","0.0011","15.7405","0.0013","13.4254","0.0011","90","","97.364","0.002","90","","2596.4","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 N6 Ni3 O10 S4 -","- C48 H56 N6 Ni3 O10 S4 -","- C96 H112 N12 Ni6 O20 S8 -","2","1","","Yang, Liguo; Wang, Xin; Zou, Kun; Hu, Shuige; Liu, Xiaozhen","The crystal structure bis(dimethylsulfoxide-κ1O)-dipyridine-κ1 N-bis(m2-(Z)-3-methyl-2-oxido-N-((Z)-oxido(phenyl)methylene)benzohydrazonato-κ5)trinickel(II) - dimethylsulfoxide (1/2), C48H56N6Ni3O10S4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","365","367","10.1515/ncrs-2022-0014","","","0.71073","MoKα","","0.0625","0.053","","","0.1238","0.1316","","","","","","1.04","","","","has coordinates","277382","2022-08-24","09:11:43",""
"8105699","13.6807","0.0007","18.5116","0.0011","19.321","0.001","78.17","0.002","70.1007","0.0018","70.5341","0.0019","4314.7","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H60 Fe5 N2 O14 P4 Te4 -","- C86 H60 Fe5 N2 O14 P4 Te4 -","- C172 H120 Fe10 N4 O28 P8 Te8 -","2","1","","Kim, Kang-Woo; Yang, Hyoyi","Crystal structure of bis(bis(triphenylphosphine)iminium) tetradecacarbonyltetratelluridopentaferrate(2-), (PPN)2[Fe5Te4(CO)14]","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","369","372","10.1515/ncrs-2021-0491","","","0.71073","MoKα","","0.0659","0.0411","","","0.0992","0.1234","","","","","","1.091","","","","has coordinates","277383","2022-08-24","09:14:54",""
"8105700","13.5881","0.0011","7.3129","0.0009","13.3284","0.0011","90","","96.125","0.007","90","","1316.9","0.2","288","","288","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Wen, Ya-Xin; Guo, Ya-Fei; Dong, Le; Ma, Jun-Ying; Fan, Bing-You","Crystal structure of 4-Hydroxy-3-(naphthalen-2-ylthio)pent-3-en-2-one, C15H14O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","373","375","10.1515/ncrs-2022-0064","","x-ray","0.71073","MoKα","","0.0808","0.057","","","0.1281","0.1402","","","","","","1.083","","","","has coordinates","277384","2022-08-24","09:28:12",""
"8105701","10.586","0.0009","10.6497","0.0006","26.4492","0.0015","90","","90","","90","","2981.8","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 N4 Ni O5 -","- C36 H26 N4 Ni O5 -","- C144 H104 N16 Ni4 O20 -","4","1","","Wang, Li-Hua; Tai, Xi-Shi; Ren, Xiu-Jie","The crystal structure of [(1,10-phenanthroline-κ2 N,N)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)nickel(II)] monohydrate, C36H26N4O5Ni","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","377","379","10.1515/ncrs-2022-0046","","x-ray","0.71073","MoKα","","0.0383","0.0341","","","0.0684","0.0703","","","","","","1.077","","","","has coordinates","277385","2022-08-24","09:31:09",""
"8105702","9.8515","0.0012","16.508","0.002","29.817","0.003","90","","90","","90","","4849.1","1","104.27","","104.27","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 B2 F8 N5 -","- C19 H27 B2 F8 N5 -","- C152 H216 B16 F64 N40 -","8","1","","Ywaya, David O.; Friedrich, Holger B.; Bala, Muhammad D.; Soobramoney, Lynette; Ibrahim, Halliru","Crystal structure of 3,3′-(pyridine-2,6-diylbis(methylene))bis(1-propyl-1H-imidazol-3-ium) ditetrafluoroborate, C19H27B2F8N5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","381","383","10.1515/ncrs-2022-0078","","","0.71073","MoKα","","0.052","0.0409","","","0.1007","0.1082","","","","","","1.028","","","","has coordinates,has disorder","277386","2022-08-24","09:34:55",""
"8105703","5.9233","0.0003","14.5788","0.0009","14.7095","0.0009","90","","99.073","0.002","90","","1254.34","0.13","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Zhang, Jingxiao; Lv, Jinyu; Wang, Jiajia","The crystal structure of (E)-1-(4-aminophenyl)-3-(p-tolyl)prop-2-en-1-one, C16H15NO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","385","387","10.1515/ncrs-2022-0039","","","0.71073","MoKα","","0.1147","0.06","","","0.1201","0.1512","","","","","","1.056","","","","has coordinates","277430","2022-08-29","08:45:14",""
"8105704","10.22","0.002","10.685","0.002","10.777","0.002","84.18","0.03","72.02","0.03","75.28","0.03","1082.3","0.4","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cd2 N14 O10 -","- C38 H36 Cd2 N14 O10 -","- C38 H36 Cd2 N14 O10 -","1","0.5","","Wang, Hua-Rui","The crystal structure of poly[(μ2-terephthalato-κ4 O,O′: O″,O‴)-(μ4-terephthalato-κ4 O:O′:O″:O‴)-{μ4-(1,2,4,5-tetrakis(1,2,4-triazol-1-ylmethyl)-benzene-κ4 O:O′:O″,O‴)}dicadmium(II)] – water – acetronitrile (1/2/2), C38H36N14O10Cd2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","389","391","10.1515/ncrs-2022-0053","","","0.71073","MoKα","","0.0289","0.0268","","","0.0666","0.0732","","","","","","1.103","","","","has coordinates,has disorder","277431","2022-08-29","08:55:36",""
"8105705","10.923","0.0006","11.1166","0.0008","22.8312","0.0015","90","","93.404","0.006","90","","2767.4","0.3","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Co N3 O9 -","- C27 H31 Co N3 O9 -","- C108 H124 Co4 N12 O36 -","4","1","","Gao, Xiang; Tai, Xi-Shi","The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)cobalt(II)–water–N,N-dimethylformamide(1/2/1), C27H31N3O9Co","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","393","395","10.1515/ncrs-2022-0067","","x-ray","0.71073","MoKα","","0.0437","0.0349","","","0.0838","0.0893","","","","","","1.062","","","","has coordinates","277432","2022-08-29","08:59:30",""
"8105706","13.427","0.004","10.069","0.003","12.751","0.004","90","","116.124","0.007","90","","1547.8","0.8","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-3-Methoxybenzoic Acid 4,4'-Bipyridine","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Angevine, Devin J.; Benedict, Jason B.","The co-crystal structure of 4-hydroxy-3-methoxybenzoic acid – 4,4′-bipyridine, C8H8O4·C10H8N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","397","398","10.1515/ncrs-2022-0088","","","0.71073","MoKα","","0.0572","0.0426","","","0.1068","0.1152","","","","","","1.038","","","","has coordinates","277433","2022-08-29","09:06:01",""
"8105707","6.5529","0.0011","24.375","0.004","18.379","0.003","90","","97.491","0.003","90","","2910.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br2 Co N4 O4 -","- C32 H22 Br2 Co N4 O4 -","- C128 H88 Br8 Co4 N16 O16 -","4","1","","Zhuo, Xin","Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2 N:N′)-bis(4-bromobenzoate-κ1 O)cobalt(II)], C32H22Br2CoN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","399","401","10.1515/ncrs-2022-0035","","","0.71073","MoKα","","0.0743","0.0404","","","0.097","0.1268","","","","","","1.033","","","","has coordinates","277434","2022-08-29","09:21:05",""
"8105708","7.272","0.0014","11.631","0.002","17.031","0.003","90","","95.12","0.03","90","","1434.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N5 O S -","- C12 H17 N5 O S -","- C48 H68 N20 O4 S4 -","4","1","","Jia, Huijuan; Dong, Zhen; Qin, Xiaoyan; Song, Yiying; Zhou, Zhibin; Yuan, Caixia","Crystal structure of (E)-5-propyl-4-((pyridin-2-ylmethylene)amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione – methanol (1/1), C11H13N5S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","403","405","10.1515/ncrs-2022-0041","","","0.71073","MoKα","","0.0367","0.0353","","","0.0941","0.0953","","","","","","1.081","","","","has coordinates","277449","2022-08-30","07:16:27",""
"8105709","15.164","0.007","11.798","0.005","7.359","0.003","90","","90.792","0.005","90","","1316.4","1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-((3-bromobenzylidene)amino)-2-(hydroxymethyl)propane-1,3-diol hydrate","","- C11 H16 Br N O5 -","- C11 H16 Br N O5 -","- C44 H64 Br4 N4 O20 -","4","1","","Qin, Hai-Bo; Liu, Ke-Xiang; Fan, Xu; Li, Zhong-Yan; Yuan, Lin","The crystal structure of (Z)-4-bromo-6-(((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)methylene)cyclohexa-2,4-dien-1-one monohydrate, C11H16BrNO5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","407","408","10.1515/ncrs-2022-0037","","","0.71073","MoKα","","0.0446","0.0322","","","0.074","0.0797","","","","","","1.024","","","","has coordinates","277450","2022-08-30","07:21:50",""
"8105710","15.3276","0.001","19.0577","0.0015","15.398","0.0011","90","","97.947","0.003","90","","4454.7","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 N2 Se9 Sn4 -","- C24 H56 N2 Se9 Sn4 -","- C96 H224 N8 Se36 Sn16 -","4","1","","Kim, Kang-Woo","Crystal structure of bis(tetrapropylammonium) nonaselenidotetrastannate(IV), (Pr4N)2[Sn4Se9]","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","409","411","10.1515/ncrs-2022-0091","","","0.71073","MoKα","","0.0596","0.0313","","","0.0591","0.0686","","","","","","1.075","","","","has coordinates","277451","2022-08-30","07:25:38",""
"8105711","14.152","0.002","22.112","0.003","6.0109","0.0007","90","","90","","90","","1881","0.4","149.99","0.1","149.99","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H25 Cl O -","- C21 H25 Cl O -","- C84 H100 Cl4 O4 -","4","1","","Ding, Yue; Wang, Hongying; Zheng, Qin; Guo, Jiaojie; Zhang, Guangbo; Wang, Jing; Wang, Xiumin; Guo, Haibo","Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","413","415","10.1515/ncrs-2022-0056","","x-ray","0.71073","MoKα","","0.0936","0.0586","","","0.1039","0.1227","","","","","","1.034","","","","has coordinates","277452","2022-08-30","07:29:03",""
"8105712","22.9142","0.0018","7.3271","0.0006","14.7386","0.0011","90","","90","","90","","2474.5","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H27 Cu N3 O7 -","- C27 H27 Cu N3 O7 -","- C108 H108 Cu4 N12 O28 -","4","1","","Xu, Xingman; Sun, Renqiang","Crystal structure of (2,2′-((naphthalen-1-ylmethyl)azanediyl)diacetato-κ3 N,O,O′)-(1,10-phenanthroline-κ2 N,N′)-copper(II) trihydrate, CuC27H27N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","417","419","10.1515/ncrs-2022-0050","","","0.71073","MoKα","","0.0603","0.0443","","","0.0923","0.099","","","","","","1.021","","","","has coordinates","277453","2022-08-30","07:36:13",""
"8105713","8.6503","0.0007","11.1188","0.0008","13.2711","0.0011","79.185","0.007","71.97","0.007","87.951","0.006","1191.85","0.17","200.01","0.18","200.01","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Co N5 O5 -","- C27 H23 Co N5 O5 -","- C54 H46 Co2 N10 O10 -","2","1","","Xiang, Gao; Xi-Shi, Tai","The crystal structure of tetrakis(6-phenylpyridine-2-carboxylato-κ2N,O)-bis(1H-pyrazol-3-ylamine-κ2 N:N)dicobalt(II) dihydrate, C27H23N5O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","421","423","10.1515/ncrs-2022-0065","","x-ray","0.71073","MoKα","","0.054","0.045","","","0.1051","0.1143","","","","","","1.053","","","","has coordinates","277454","2022-08-30","07:57:23",""
"8105714","10.488","0.007","10.139","0.007","22.76","0.015","90","","99.705","0.007","90","","2386","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol Zinc Complex","","- C22 H26 Cl2 N2 O2 Zn -","- C22 H26 Cl2 N2 O2 Zn -","- C88 H104 Cl8 N8 O8 Zn4 -","4","1","","Yang, Qian-Zhi; Yang, Yu-Xin; Kuang, Jin-Hao; Li, Zhong-Yan; Lin Yuan,","The crystal structure of bis((E)-2-((tert-butylimino)methyl)-4-chlorophenolato-κ2 N,O)zinc(II), C22H26Cl2N2O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","425","427","10.1515/ncrs-2022-0049","","","0.71073","MoKα","","0.0444","0.0395","","","0.1019","0.1053","","","","","","1.088","","","","has coordinates","277455","2022-08-30","08:02:04",""
"8105715","7.2659","0.0003","11.7245","0.0003","12.6837","0.0004","77.466","0.003","73.915","0.003","75.794","0.003","993.5","0.06","290.7","0.3","290.8","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cu3 N8 O20 -","- C38 H30 Cu3 N8 O20 -","- C38 H30 Cu3 N8 O20 -","1","0.5","","Hong, Dong-Feng; Chen, Ye; Zhu, Wen-Li","The crystal structure of poly[diaqua-(μ3-5-nitrobenzene-1,2,3-tricarboxylato-κ 3 O:O′:O′)-(μ2-4,4′-dipyridylamine-κ 2 N:N′)copper(II)], C38H30Cu3N8O20","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","429","431","10.1515/ncrs-2022-0040","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0817","0.0842","","","","","","1.072","","","","has coordinates","277456","2022-08-30","08:17:25",""
"8105716","28.3217","0.0011","5.7477","0.0002","10.3071","0.0003","90","","90","","90","","1677.84","0.1","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H18 Fe O -","- C23 H18 Fe O -","- C92 H72 Fe4 O4 -","4","1","","Zhang, Jingxiao; Gao, Fengge; Qi, Linyue; Yin, Xia","The crystal structure of (E)-1-ferrocenyl-3-(naphthalen-1-yl)prop-2-en-1-one, C23H18FeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","433","435","10.1515/ncrs-2022-0058","","","0.71073","MoKα","","0.059","0.0372","","","0.0595","0.0713","","","","","","1.082","","","","has coordinates","277457","2022-08-30","08:21:17",""
"8105717","10.204","0.003","5.7956","0.0016","14.591","0.004","90","","97.876","0.01","90","","854.7","0.4","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 Fe O -","- C22 H22 Fe O -","- C44 H44 Fe2 O2 -","2","1","","Zhang, Jingxiao; Hu, Xiangjie; Liu, Xianghui; He, Yifan","The crystal structure of (E)-1-ferrocenyl-3-(4-isopropylphenyl)prop-2-en-1-one, C22H22FeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","437","439","10.1515/ncrs-2022-0063","","","0.71073","MoKα","","0.1194","0.0676","","","0.1359","0.1647","","","","","","1.032","","","","has coordinates","277458","2022-08-30","08:24:24",""
"8105718","9.464","0.006","10.302","0.007","10.589","0.007","90","","114.174","0.011","90","","941.9","1.1","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Tang, Wenqiang; Xu, Xiaona; Gao, Yanrong; Tong, Hongjuan; Zhu, Zhoujing; Liu, Bin","Crystal structure of 6-hydroxy-2,2-dimethyl-4Hbenzo[d][1,3]dioxin-4-one, C10H10O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","441","443","10.1515/ncrs-2022-0054","","","0.71073","MoKα","","0.0541","0.0453","","","0.1334","0.1394","","","","","","1.027","","","","has coordinates","277478","2022-08-31","07:44:53",""
"8105719","5.8577","0.0003","11.216","0.0005","24.1507","0.0011","90","","92.803","0.002","90","","1584.8","0.13","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Fe O -","- C21 H18 Fe O -","- C84 H72 Fe4 O4 -","4","1","","Zhang, Jingxiao; Huang, Xuezhen","The crystal structure of (2E,4E)-1-ferrocenyl-5-phenylpenta-2,4-dien-1-one, C21H18FeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","445","447","10.1515/ncrs-2022-0048","","","0.71073","MoKα","","0.0633","0.0383","","","0.0631","0.0755","","","","","","1.097","","","","has coordinates","277479","2022-08-31","07:49:52",""
"8105720","5.487","0.002","7.611","0.003","19.629","0.008","90","","101.269","0.011","90","","803.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N3 O5 V -","- C3 H10 N3 O5 V -","- C12 H40 N12 O20 V4 -","4","1","","Zhang, Heng-Qiang; Juan, Xia; Ning, Xu; Fang, Fu-Jian; Yang, Xin; Zheng, Xiu-Jun","Crystal structure of alaninato-κ2 N,O-bis(hydroxylamido-κ2 N,O)-oxido-vanadium(V), C3H10N3O5V","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","449","451","10.1515/ncrs-2022-0071","","","0.71073","MoKα","","0.0583","0.0375","","","0.079","0.0866","","","","","","1.044","","","","has coordinates,has disorder","277480","2022-08-31","07:54:40",""
"8105721","14.1337","0.0005","5.8568","0.0002","21.2295","0.0006","90","","105.074","0.003","90","","1696.87","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cu N6 O5 -","- C18 H14 Cu N6 O5 -","- C72 H56 Cu4 N24 O20 -","4","0.5","","Hong, Dong-Feng; Li, Meng-Fei; Chu, Tian-Tian","Crystal structure of catena-poly[aqua-bis[μ 2-6-(1H-imidazol-1-yl)nicotinato-κ2 N,O]copper(II)], C18H14N6O5Cu","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","453","454","10.1515/ncrs-2022-0059","","x-ray","0.71073","MoKα","","0.0251","0.0239","","","0.0598","0.0603","","","","","","1.115","","","","has coordinates","277481","2022-08-31","08:21:56",""
"8105722","9.309","0.003","14.191","0.005","14.918","0.005","69.221","0.004","82.384","0.005","72.805","0.004","1759.3","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N2 O4 -","- C42 H42 N2 O4 -","- C84 H84 N4 O8 -","2","1","","Fan, Shuai; Zhang, Qian; Lv, Xu-Dong; Jin, Yuan-Yuan; Yang, Zhao-Yong","Crystal structure of diethyl 4,6-diphenyl-1,9-di-p-tolylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,5(2H)-dicarboxylate, C42H42N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","455","457","10.1515/ncrs-2022-0029","","","0.71073","MoKα","","0.1449","0.0699","","","0.1538","0.1806","","","","","","1.139","","","","has coordinates","277482","2022-08-31","08:31:25",""
"8105723","17.5779","0.0006","9.0747","0.0003","9.4946","0.0003","90","","96.636","0.003","90","","1504.38","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cd7.46 Co12.54 H40 O80 P16 -","- Cd7.464 Co12.536 H40 O80 P16 -","- Cd7.464 Co12.536 H40 O80 P16 -","1","0.125","","Zhang, Xiu-Hua; Mi, Jin-Xiao; Hu, Zhi-Biao; Qiu, Ze-Hai; Chen, Wu-Hua","The crystal structure of cobalt cadmium bis(hydrogenphosphate) bis(phosphate(V)) tetrahydrate, H10O20P4Co3.14Cd1.86","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","459","461","10.1515/ncrs-2022-0068","","","0.71073","MoKα","","0.0301","0.0273","","","0.0632","0.0646","","","","","","1.102","","","","has coordinates","277483","2022-08-31","08:35:27",""
"8105724","11.1158","0.0019","11.302","0.002","12.634","0.002","72.109","0.002","77.41","0.002","82.648","0.003","1471","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 N2 O4 -","- C38 H34 N2 O4 -","- C76 H68 N4 O8 -","2","1","","Wang, Yin-Xin; Geng, Si-Qi; Qin, Jia-Rui; Zhang, Wen-Li; Zhong, Qi-Di","Crystal structure of dimethyl 1,4,6,9-tetraphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta[b]pyridine-3,7(2H)-dicarboxylate, C38H34N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","463","465","10.1515/ncrs-2022-0038","","","0.71073","MoKα","","0.0611","0.0473","","","0.1553","0.1738","","","","","","1.035","","","","has coordinates","277484","2022-08-31","08:40:05",""
"8105725","12.7439","0.0009","11.8391","0.0008","13.4459","0.0007","90","","99.803","0.005","90","","1999","0.2","173","10","173","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I N3 O2 -","- C22 H18 I N3 O2 -","- C88 H72 I4 N12 O8 -","4","1","","Li, Zhang; Qiong, Wu; Jin, Tong-Yin; Zhang, Ya-Zhai; Wang, Xiao-Zhong; Zhang, Heng-Qiang","Crystal structure of (Z)-4-(furan-2-yl((4-iodophenyl)amino)methylene)-5-methyl-2(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one, C21H16I N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","467","469","10.1515/ncrs-2022-0077","","","0.71073","MoKα","","0.0545","0.0365","","","0.0799","0.0905","","","","","","1.064","","","","has coordinates","277485","2022-08-31","09:01:41",""
"8105726","7.556","0.002","37.198","0.012","8.113","0.002","90","","90","","90","","2280.3","1.1","170","","170","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Zhang, Lilei; Hu, Jiamin; Qiao, Yumeng","Crystal structure of (E)-1-(4-(3,5-dimethoxystyryl)phenyl)-7-ethylheptanedioate, C25H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","471","473","10.1515/ncrs-2022-0079","","","0.71073","MoKα","","0.0858","0.061","","","0.1418","0.1634","","","","","","1.036","","","","has coordinates,has disorder","277486","2022-08-31","09:08:31",""
"8105727","9.2173","0.0006","20.7174","0.0014","6.9035","0.0004","90","","99.332","0.003","90","","1300.83","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br Cl O2 -","- C15 H10 Br Cl O2 -","- C60 H40 Br4 Cl4 O8 -","4","1","","Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 6-bromo-2-(4-chlorophenyl)chroman-4-one (6-bromo-4′-chloroflavanone), C15H10BrClO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","475","477","10.1515/ncrs-2022-0104","","x-ray","0.71073","MoKα","","0.0488","0.0467","","","0.1196","0.121","","","","","","1.076","","","","has coordinates","277487","2022-08-31","09:26:23",""
"8105728","8.1644","0.0003","14.5766","0.0006","12.9462","0.0004","90","","91.902","0.003","90","","1539.87","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Lu, Zhi-Qiang","The crystal structure of 2-(benzhydryloxy)-3-nitropyridine, C18H14N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","479","480","10.1515/ncrs-2022-0100","","","0.71073","MoKα","","0.0674","0.0499","","","0.1527","0.1673","","","","","","1","","","","has coordinates","277488","2022-08-31","09:31:00",""
"8105729","8.218","0.007","10.384","0.009","19.908","0.017","96.402","0.012","91.216","0.012","101.161","0.012","1655","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 F12 N2 P2 -","- C36 H24 F12 N2 P2 -","- C72 H48 F24 N4 P4 -","2","1","","Hu, Xia; Zeng, Fei","The crystal structure of 1,3(4,1)-dipyridin-1-iuma-2(1,8)-diethynylanthracena-5(1,3)-benzenacyclohexaphane-11,31-diium bis(hexafluoridophosphate), C36H24F12N2P2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","481","483","10.1515/ncrs-2022-0080","","","0.71073","MoKα","","0.1372","0.0685","","","0.1783","0.2188","","","","","","1.019","","","","has coordinates,has disorder","277489","2022-08-31","09:35:05",""
"8105730","11.651","0.002","7.0023","0.0014","18.716","0.004","90","","97.5","0.002","90","","1513.9","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C39 H34 I N -","- C39 H34 I N -","- C78 H68 I2 N2 -","2","0.5","","Hu, Xin; Jia, Guo-Kai; Ding, Man-Hua","Crystal structure of 3,6-di-tert-butyl-1-iodo-9-methyl-8-(pyren-1-ylethynyl)-9H-carbazole, C39H34IN","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","485","487","10.1515/ncrs-2022-0094","","","0.71073","MoKα","","0.0749","0.041","","","0.0926","0.1056","","","","","","1.002","","","","has coordinates","277490","2022-08-31","09:37:46",""
"8105731","9.722","0.002","10.805","0.002","10.947","0.002","67.938","0.004","66.25","0.004","72.978","0.004","961.8","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","2","","Cui, Jianqiang; Men, Jing; Liu, Bin","The cocrystal 2-(dimethylammonio)-5-nitrobenzoate – 2-(dimethylamino)-5-nitrobenzoic acid, C9H10N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","489","491","10.1515/ncrs-2022-0101","","","0.71073","MoKα","","0.053","0.0421","","","0.1222","0.1339","","","","","","1.042","","","","has coordinates","277491","2022-08-31","09:40:18",""
"8105732","9.1778","0.0016","7.027","0.001","12.518","0.002","90","","92.93","0.006","90","","806.3","0.2","297.98","","297.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 N3 O3 -","- C8 H5 N3 O3 -","- C32 H20 N12 O12 -","4","1","","Shi, Lei; Wang, Yu-Jiang; An, Jun-Chao; Li, Bin; Hu, Ji","Crystal structure of 5-nitroquinazolin-4(3H)-one, C8H5N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","493","495","10.1515/ncrs-2022-0085","","","0.71073","MoKα","","0.0753","0.0469","","","0.1194","0.1353","","","","","","1.138","","","","has coordinates","277492","2022-08-31","09:44:30",""
"8105733","10.849","0.0008","13.2892","0.0009","14.7199","0.001","89.161","0.003","79.991","0.002","85.746","0.002","2084.2","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","2","","Gao, Li-Na; Gu, Ye; Jin, Feng; Hao, Duo; Zhang, Xin-Ru","Crystal structure of N-((3s,5s,7s)-adamantan-1-yl)-2-(3-benzoylphenyl)propanamide, C26H29NO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","497","499","10.1515/ncrs-2022-0107","","","0.71073","MoKα","","0.145","0.0641","","","0.1106","0.1449","","","","","","1.051","","","","has coordinates","277536","2022-09-01","07:51:49",""
"8105734","12.684","0.005","12.827","0.005","19.1","0.007","84.641","0.004","81.178","0.004","85.471","0.004","3051","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl2 N12 Ni3 O6 -","- C60 H56 Cl2 N12 Ni3 O6 -","- C120 H112 Cl4 N24 Ni6 O12 -","2","1","","Xin, Wang; Liguo, Yang; Yizhuo, Dong; Yanlin, Ye; Yifan, Wang","The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidopropylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)-octakis(pyridine-κ1 N)trinickel(II) C60H56Cl2N12Ni3O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","501","504","10.1515/ncrs-2022-0023","","","0.71073","MoKα","","0.0314","0.0267","","","0.0697","0.0735","","","","","","1.033","","","","has coordinates","277537","2022-09-01","07:59:21",""
"8105735","5.5648","0.0005","17.6062","0.0015","21.5033","0.0019","90","","90","","90","","2106.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N0 O2 -","- C25 H23 Cl O2 -","- C100 H92 Cl4 O8 -","4","1","","Zheng, Jun; Liu, Sen; Zhang, Yaru; Huang, Xianqiang","The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","505","507","10.1515/ncrs-2022-0110","","","0.71073","MoKα","","0.1249","0.0529","","","0.1127","0.1371","","","","","","0.889","","","","has coordinates","277538","2022-09-01","08:03:12",""
"8105736","9.0066","0.0002","15.4924","0.0004","18.511","0.0004","90","","95.487","0.002","90","","2571.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl2 O P -","- C27 H22 Br Cl2 O P -","- C108 H88 Br4 Cl8 O4 P4 -","4","1","","Liu, Fen; Sun, Longgen; Huang, Haiyang","The crystal structure of 2,4,4-triphenyl-4H-benzo[b][1,4]oxaphosphinin-4-ium bromide – dichloromethane (1/1), C27H22BrCl2OP","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","509","511","10.1515/ncrs-2022-0123","","x-ray","1.54184","CuKα","","0.0606","0.0509","","","0.1399","0.1494","","","","","","1.028","","","","has coordinates","277539","2022-09-01","08:08:35",""
"8105737","21.069","0.004","8.7963","0.0017","23.757","0.005","90","","90","","90","","4402.9","1.5","296.15","","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 I2 N2 -","- C22 H24 I2 N2 -","- C176 H192 I16 N16 -","8","2","","Tang, Lin-Li; Zeng, Fei","The crystal structure of 2-(3,6-di-tert-butyl-1,8-diiodo-9H-carbazol-9-yl)acetonitrile, C22H24I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","513","515","10.1515/ncrs-2022-0083","","","0.71073","MoKα","","0.0676","0.053","","","0.1452","0.1569","","","","","","1.041","","","","has coordinates","277540","2022-09-01","08:12:31",""
"8105738","5.7576","0.0002","7.7223","0.0004","41.671","0.0016","90","","90","","90","","1852.77","0.14","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","","Wang, Li-li; Xue, De-dong","Crystal structure of 3-phenylpropyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","517","519","10.1515/ncrs-2022-0114","","","0.71073","MoKα","","0.0726","0.0442","","","0.0882","0.1068","","","","","","1.074","","","","has coordinates","277541","2022-09-01","08:17:41",""
"8105739","12.0648","0.0009","8.3896","0.0005","10.5727","0.0009","90","","104.204","0.008","90","","1037.44","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","","Gao, Yanrong; Ran, Hui; Tang, Wenqiang","The crystal structure of (4-fluorophenyl)(5-(hydroxymethyl)furan-2-yl)methanol, C12H11FO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","521","523","10.1515/ncrs-2022-0105","","x-ray","0.71073","MoKα","","0.0791","0.0614","","","0.1401","0.1516","","","","","","1.073","","","","has coordinates","277576","2022-09-02","07:06:39",""
"8105740","7.8359","0.0002","8.6966","0.0003","12.9907","0.0004","92.047","0.002","92.041","0.002","96.087","0.002","879.02","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H27 N5 O4 S -","- C11 H27 N5 O4 S -","- C22 H54 N10 O8 S2 -","2","1","","Tan, Xiaoke; Zhu, Xin","Crystal structure of the dihydrate of tetraethylammonium 1,3,5-thiadiazole-5-amido-2-carbamate, C11H27N5O4S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","525","526","10.1515/ncrs-2022-0128","","","0.71073","MoKα","","0.0484","0.0412","","","0.119","0.1265","","","","","","1.026","","","","has coordinates","277577","2022-09-02","07:10:11",""
"8105741","7.659","0.0007","11.8598","0.0012","12.4954","0.0014","92.027","0.009","99.837","0.009","93.597","0.008","1114.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Wei, Wei; Wu, Qiong; Jin, Tong-Yin; Zhang, Ya-Zhai; Xuan, Zhao-Kun; Zhang, Heng-Qiang","Crystal structure of (Z)-4-[(p-tolylamino)(furan-2-yl)methylene]-3-phenyl-1-1-p-tolyl-1H-phenyl-1H-pyrazol-5(4H)-one, C28H23N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","527","529","10.1515/ncrs-2022-0086","","","0.71073","MoKα","","0.0813","0.0508","","","0.1136","0.1317","","","","","","1.044","","","","has coordinates","277578","2022-09-02","07:12:47",""
"8105742","10.2693","0.0005","11.2568","0.0006","20.893","0.001","80.35","0.002","76.964","0.001","86.921","0.002","2319.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cl Fe O -","- C19 H15 Cl Fe O -","- C114 H90 Cl6 Fe6 O6 -","6","3","","Zhang, Lilei; Xie, Mengru","The crystal structure of (E)-3-(2-chlorophenyl)-1-ferrocenylprop-2-en-1-one, C19H15ClFeO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","531","533","10.1515/ncrs-2022-0042","","","0.71073","MoKα","","0.1143","0.0534","","","0.0747","0.0968","","","","","","1.044","","","","has coordinates","277579","2022-09-02","07:17:38",""
"8105743","14.0477","0.0004","8.914","0.0002","27.6199","0.0006","90","","93.06","0.002","90","","3453.67","0.15","290","2","290","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C10 H16 Cl6 N2 Sn -","- C10 H16 Cl6 N2 Sn -","- C80 H128 Cl48 N16 Sn8 -","8","2","","Wolke, Marie Barbara; Reiss, Guido J.","The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","535","538","10.1515/ncrs-2022-0010","","","0.71073","MoKα","","0.0545","0.0395","","","0.0755","0.0858","","","","","","1.08","","","","has coordinates","277580","2022-09-02","07:21:35",""
"8105744","5.6814","0.0005","13.0181","0.0012","22.833","0.002","90","","96.473","0.002","90","","1678","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","2","","Wang, Guangdi; Qian, Shihao; Yan, Sun; Wen, Tingchi","Crystal structure of (2-(1-hydroxyheptyl)octahydro-8aH-chromene-5,8,8a-triol), C16H30O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","539","541","10.1515/ncrs-2022-0092","","","0.71073","MoKα","","0.0988","0.0508","","","0.1099","0.1346","","","","","","0.989","","","","has coordinates","277581","2022-09-02","07:29:05",""
"8105745","11.1235","0.0005","15.3724","0.0005","8.111","0.0003","90","","109.398","0.001","90","","1308.21","0.09","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Zhang, Jingxiao; Zhao, Xiaoxiao; Cai, Chenyu","The crystal structure of N-cyclohexyl-3-hydroxy-4-methoxybenzamide, C14H19NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","543","545","10.1515/ncrs-2022-0066","","","0.71073","MoKα","","0.0334","0.03","","","0.0676","0.0703","","","","","","1.055","","","","has coordinates","277582","2022-09-02","07:33:22",""
"8105746","11.355","0.005","15.084","0.007","20.078","0.009","90","","90","","90","","3439","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol","","- C44 H40 O8 -","- C44 H40 O8 -","- C176 H160 O32 -","4","1","","Liu, Mei-Feng; Zhang, Xing-Yu; Du, Yi-Mei; Chen, Yan","Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","547","549","10.1515/ncrs-2021-0485","","","0.71073","MoKα","","0.0481","0.0382","","","0.092","0.0994","","","","","","1.036","","","","has coordinates","277583","2022-09-02","07:36:57",""
"8105747","11.6502","0.0008","13.8752","0.0008","7.9644","0.0005","90","","106.051","0.002","90","","1237.25","0.14","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Zhang, Jingxiao; Guo, Shubin; Guo, Yongnan; Yang, Yanliang","The crystal structure of N-cyclopentyl-3-hydroxy-4-methoxybenzamide, C13H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","551","553","10.1515/ncrs-2022-0070","","","0.71073","MoKα","","0.0605","0.0425","","","0.0898","0.1023","","","","","","1.101","","","","has coordinates","277584","2022-09-02","07:39:52",""
"8105748","13.8987","0.0003","15.0321","0.0005","8.1727","0.0002","90","","99.337","0.002","90","","1684.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Wang, De-Xing; Cao, Peng","The crystal structure of 2,5,5-triphenyl-3,5-dihydro-4H-imidazol-4-one, C21H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","555","556","10.1515/ncrs-2022-0082","","x-ray","1.54184","CuKα","","0.05","0.0411","","","0.1067","0.1137","","","","","","1.036","","","","has coordinates","277585","2022-09-02","07:43:46",""
"8105749","13.4643","0.0013","6.2866","0.001","9.1138","0.0009","90","","90","","90","","771.43","0.16","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","PC-5–Py-Trz+NO3","","- C5 H5 N5 O3 -","- C5 H5 N5 O3 -","- C20 H20 N20 O12 -","4","0.5","","Zhou, Meng-Shu; Fu, Hong-Ru","Crystal structure of 1H-1,2,3-Triazolo[4,5-b]-pyridin-4-ium nitrate, C5H5N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","557","558","10.1515/ncrs-2022-0145","","x-ray","0.71073","MoKα","","0.068","0.0517","","","0.1225","0.1317","","","","","","1.19","","","","has coordinates","277586","2022-09-02","07:46:31",""
"8105750","9.5191","0.0014","23.056","0.003","10.0556","0.0015","90","","95.47","0.003","90","","2196.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N3 O2 -","- C26 H18 Br N3 O2 -","- C104 H72 Br4 N12 O8 -","4","1","","Li, Zhang; Wu, Qiong; Zhang, Ya-Zhai; Zhang, Wei-Ya; Chen, Hong-Li; Zhang, Heng-Qiang","Crystal structure of (Z)-4-(((4-bromophenyl)amino)(furan-2-yl)methylene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one, C26H18BrN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","559","561","10.1515/ncrs-2022-0141","","","0.71073","MoKα","","0.1165","0.064","","","0.1424","0.1645","","","","","","1.031","","","","has coordinates","277587","2022-09-02","07:49:59",""
"8105751","9.1869","0.0011","27.94","0.003","9.6992","0.0011","90","","107.422","0.002","90","","2375.4","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-([1,1'-biphenyl]-2-yl)-1,2-diphenylbenzophosphole-1-oxide","","- C32 H23 O P -","- C32 H23 O P -","- C128 H92 O4 P4 -","4","1","","Yuan, Chengxiong; Huang, Mingqing; Liu, Fen; Huang, Haiyang","The crystal structure of 3-([1,1′-biphenyl]-2-yl)-1,2-diphenylbenzo[b]phosphole-1-oxide, C32H23OP","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","565","567","10.1515/ncrs-2022-0120","","","0.71073","MoKα","","0.0675","0.0488","","","0.1192","0.1287","","","","","","1.106","","","","has coordinates","277588","2022-09-02","08:00:33",""
"8105752","11.4188","0.0004","3.7968","0.0002","30.232","0.0018","90","","96.037","0.006","90","","1303.44","0.11","293.27","0.1","293.27","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","0.5","","Jian-Ge, Wang; Hua-Rui, Wang","The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","569","570","10.1515/ncrs-2022-0138","","x-ray","0.71073","MoKα","","0.0725","0.0656","","","0.2003","0.2073","","","","","","1.14","","","","has coordinates,has disorder","277589","2022-09-02","08:04:31",""
"8105753","7.732","0.0011","12.8686","0.0019","5.0657","0.0008","90","","90","","90","","504.04","0.13","296","2","296","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate","","- C5 H10 N8 O4 S -","- C5 H10 N8 O4 S -","- C10 H20 N16 O8 S2 -","2","0.5","","Zhang, Guo-Tao; Wang, Hua; Li, Hong-Ya; Yan, Biao","Crystal structure of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane sulfate, C5H10N8O4S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","571","572","10.1515/ncrs-2022-0133","","","0.71073","MoKα","","0.0325","0.0298","","","0.0673","0.0748","","","","","","1.159","","","","has coordinates","277590","2022-09-02","08:14:44",""
"8107157","13.3987","0.0017","8.7084","0.0011","14.5063","0.0018","90","","95.849","0.002","90","","1683.8","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N3 O P -","- C18 H18 N3 O P -","- C72 H72 N12 O4 P4 -","4","1","","Wu, Gui-Ling","The crystal structure of tris(6-methylpyridin-2-yl)phosphine oxide, C18H18N3OP","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","577","578","10.1515/ncrs-2022-0137","","","0.71073","MoKα","","0.0509","0.0423","","","0.1311","0.1409","","","","","","1.058","","","","has coordinates","283639","2023-05-10","06:37:16",""
"8107158","9.3479","0.0003","23.0805","0.0008","13.7819","0.0005","90","","102.462","0.001","90","","2903.45","0.17","300","2","299.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N O2 P -","- C37 H34 N O2 P -","- C148 H136 N4 O8 P4 -","4","1","","Jian, Jinzhen; Ye, Jianghai; Luo, Guoyong; Lang, Tianqiong","The crystal structure of N-(2′-hydroxymethyl-5′-phenyl-3′,4′-dihydro-[1,1′:3′,1″-terphenyl]- 1′(2′H)-yl)-P,P-diphenylphosphinic amide, C37H34NO2P","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","579","581","10.1515/ncrs-2022-0157","","","0.71073","MoKα","","0.0608","0.0458","","","0.1207","0.1309","","","","","","1.033","","","","has coordinates","283641","2023-05-10","06:40:24",""
"8107159","5.874","0.003","16.526","0.007","20.147","0.008","67.14","0.005","83.287","0.006","86.91","0.006","1789.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","2","","Bai, Su-Fen; Liu, Jia-Xuan; Li, Shan-Shan; Tian, Chun-Yu; La, Xiao-Jin","Crystal structure of (E)-4-(6-(4-(2-(pyridin-4-yl)vinyl)phenoxy)pyrimidin-4-yl)morpholine, C21H20N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","583","585","10.1515/ncrs-2022-0045","","","0.71073","MoKα","","0.1384","0.0614","","","0.1302","0.1675","","","","","","1","","","","has coordinates","283642","2023-05-10","06:43:29",""
"8107160","6.9678","0.0008","10.7614","0.0014","13.0503","0.0014","76.87","0.003","88.004","0.004","87.275","0.004","951.6","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H22 F3 N3 O S -","- C20 H22 F3 N3 O S -","- C40 H44 F6 N6 O2 S2 -","2","2","","Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Al-Omary, Fatmah A. M.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","587","591","10.1515/ncrs-2022-0144","","","0.71073","MoKα","","0.067","0.0629","","","0.1596","0.1626","","","","","","1.107","","","","has coordinates","283643","2023-05-10","06:59:27",""
"8107161","9.7097","0.001","10.6037","0.0011","10.1735","0.001","90","","96.58","0.004","90","","1040.55","0.18","101","2","101","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","1","","Ma, Zhao-Yu; Lu, Wan; Guo, Yu-Chao; Li, Ying-Jiao","Crystal structure of 2,2-dichloro-1-(4-chloro-1H-indol-1-yl)ethan-1-one, C10H6Cl3NO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","593","594","10.1515/ncrs-2022-0117","","","0.71073","MoKα","","0.0233","0.0214","","","0.0563","0.0574","","","","","","1.072","","","","has coordinates","283644","2023-05-10","07:15:49",""
"8107162","8.0085","0.0004","13.6578","0.0007","14.1964","0.0006","96.95","0.004","105.376","0.004","106.772","0.005","1400.32","0.13","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Br2 F6 N4 O2 -","- C28 H16 Br2 F6 N4 O2 -","- C56 H32 Br4 F12 N8 O4 -","2","1","","Lu, Zhi-Qiang","The crystal structure of 4-(((3-bromo-5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)benzonitrile, C28H16Br2F6N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","595","597","10.1515/ncrs-2022-0140","","x-ray","0.71073","MoKα","","0.1332","0.057","","","0.1086","0.1268","","","","","","1.006","","","","has coordinates","283645","2023-05-10","07:18:39",""
"8107163","9.9071","0.0014","11.195","0.0019","13.315","0.002","90","","90","","90","","1476.8","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","","Ma, Hang; Tian, Qiang; Wan, Banglong","The crystal structure of 1H-benzimidazole-2-carboxamide, C8H7N3O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","599","600","10.1515/ncrs-2022-0159","","x-ray","1.34139","Synchrotron","GaKα","0.0425","0.0356","","","0.1007","0.1034","","","","","","1.034","","","","has coordinates","283646","2023-05-10","07:23:38",""
"8107164","7.4928","0.0012","14.86","0.003","11.0593","0.0018","90","","109.465","0.005","90","","1161","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C40 H44 N12 O24 -","4","1","","Kolev, Tsonko; Peeva, Martina I.; Bogdanov, Ivan P.; Ognyanov, Iliyan V.; Atanasov, Atanas G.; Tzvetkov, Nikolay T.","The crystal structure of Histidinium hydrogensquarate, C10H11N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","601","603","10.1515/ncrs-2022-0181","","","0.71073","MoKα","","0.0676","0.0439","","","0.0972","0.106","","","","","","1.046","","","","has coordinates,has disorder","283647","2023-05-10","07:26:36",""
"8107165","7.4522","0.0004","7.4741","0.0005","8.3144","0.0005","90.036","0.003","99.808","0.003","117.724","0.002","402.25","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 I N2 O2 -","- C6 H7 I N2 O2 -","- C12 H14 I2 N4 O4 -","2","1","","Cui, Mengbing; Li, Yong; Chen, Heng; Wang, Hui; Zeng, Yan","The crystal structure of 3-amino-5-carboxypyridin-1-ium iodide, C6H7IN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","605","606","10.1515/ncrs-2022-0168","","","0.71073","MoKα","","0.0171","0.0156","","","0.0362","0.0367","","","","","","1.104","","","","has coordinates","283648","2023-05-10","07:29:49",""
"8107166","17.7836","0.0008","9.4796","0.0004","15.874","0.0008","90","","97.093","0.005","90","","2655.6","0.2","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N5 O5.5 -","- C10 H16 N5 O5.5 -","- C80 H128 N40 O44 -","8","1","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang; Liang, Tongling","Crystal structure of (E)-amino(2-(3-ethoxy-4-hydroxybenzylidene)hydrazineyl)methaniminium nitrate hemihydrate C10H16N5O5.5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","607","609","10.1515/ncrs-2022-0090","","x-ray","0.71073","MoKα","","0.0613","0.0469","","","0.1213","0.1289","","","","","","1.046","","","","has coordinates","283649","2023-05-10","08:11:43",""
"8107167","6.7563","0.0009","7.2512","0.0012","25.884","0.003","90","","90","","90","","1268.1","0.3","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N8 O8 -","- C8 H6 N8 O8 -","- C32 H24 N32 O32 -","4","1","","Yong, Wang; Bingheng, Wu; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen","Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","611","612","10.1515/ncrs-2022-0150","","","0.71073","MoKα","","0.071","0.0473","","","0.0984","0.117","","","","","","1.08","","","","has coordinates,has disorder","283650","2023-05-10","08:20:03",""
"8107168","7.0839","0.0003","13.1211","0.0004","8.9854","0.0003","90","","112.359","0.005","90","","772.39","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Mn N6 O6 -","- C14 H12 Mn N6 O6 -","- C28 H24 Mn2 N12 O12 -","2","0.5","","Hong, Dong-Feng; Li, Meng-Fei; Chu, Tian-Tian","The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)manganese(II), C14H12N6O6Mn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","613","614","10.1515/ncrs-2022-0143","","x-ray","0.71073","MoKα","","0.0296","0.0274","","","0.0711","0.0725","","","","","","1.122","","","","has coordinates","283651","2023-05-10","08:24:22",""
"8107169","9.0154","0.0003","17.7168","0.0008","12.8449","0.0005","90","","98.537","0.004","90","","2028.91","0.14","288.32","0.1","288.32","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N2 O7 -","- C20 H20 Cd N2 O7 -","- C80 H80 Cd4 N8 O28 -","4","1","","Zhang, Lilei; Chang, Deming; Dun, Mengdan","The crystal structure of catena-poly[aqua-2,2′bipyridine-κ2 N,N′-(μ2-5-ethoxyisophthalato-κ 4 O,O′:Oʺ,O′ʺ)cadmium(II)] monohydrate, C20H20CdN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","615","617","10.1515/ncrs-2022-0057","","x-ray","0.71073","MoKα","","0.0379","0.032","","","0.0682","0.0715","","","","","","1.06","","","","has coordinates","283652","2023-05-10","08:30:23",""
"8107170","8.6797","0.0003","9.8809","0.0003","24.7824","0.0008","90","","90","","90","","2125.42","0.12","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl N2 O3 -","- C22 H27 Cl N2 O3 -","- C88 H108 Cl4 N8 O12 -","4","1","","Zhang, Jingxiao; Gu, Miao; Bai, Xinyu","The crystal structure of (1S,3R)-1-(4-isopropylphenyl)-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-iumchloride monohydrate, C22H27ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","619","621","10.1515/ncrs-2022-0069","","","0.71073","MoKα","","0.0788","0.0478","","","0.093","0.1082","","","","","","1.087","","","","has coordinates","283653","2023-05-10","08:34:32",""
"8107171","9.5677","0.0016","8.1755","0.0015","14.846","0.003","90","","93.783","0.004","90","","1158.7","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N5 -","- C11 H15 N5 -","- C44 H60 N20 -","4","1","","Wang, Yanjiao; Tang, Xiaoqin; Liu, Bin","Crystal structure of 1-isopropyl-3-(prop-1-en-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, C11H15N5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","623","625","10.1515/ncrs-2022-0095","","","0.71073","MoKα","","0.0615","0.0473","","","0.1311","0.1425","","","","","","1.064","","","","has coordinates","283654","2023-05-10","08:51:40",""
"8107172","29.433","0.0018","10.412","0.0006","20.0207","0.0012","90","","107.246","0.006","90","","5859.6","0.6","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Mn N4 O5 -","- C34 H26 Mn N4 O5 -","- C272 H208 Mn8 N32 O40 -","8","1","","Tai, Xi-Shi; Wang, Li-Hua","The crystal structure of (2,2′-bipyridine-κ2 N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2 N,O)manganese(II)] monohydrate, C34H26N4O5Mn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","627","630","10.1515/ncrs-2022-0125","","x-ray","0.71073","MoKα","","0.0505","0.038","","","0.0796","0.0865","","","","","","1.065","","","","has coordinates","283655","2023-05-10","08:55:15",""
"8107173","11.376","0.004","7.966","0.002","19.076","0.006","90","","90","","90","","1728.7","0.9","296","2","296.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N9 O8 -","- C12 H17 N9 O8 -","- C48 H68 N36 O32 -","4","1","","Liu, Penghua; Xing, Jiangtao; Wang, Zhiqiang; Wang, Baomin","Crystal structure of the cocrystal 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ─ 2,3-dihydroindole (1/1), C12H17N9O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","631","633","10.1515/ncrs-2022-0175","","","0.71073","MoKα","","0.042","0.0373","","","0.0879","0.0908","","","","","","1.05","","","","has coordinates","283656","2023-05-10","08:59:58",""
"8107174","7.041","0.003","9.339","0.004","15.614","0.006","90","","103.03","","90","","1000.3","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","","Xiong, Zhi-Qiang; Yang, Ling; Xiao, Shu-Zhen; Yang, Chen-Yu; Nie, Xu-Liang","Crystal structure of 3-acetyl-6-hydroxy-2H-chromen-2-one monohydrate, C11H10O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","635","637","10.1515/ncrs-2022-0113","","","0.71073","MoKα","","0.0399","0.0337","","","0.0908","0.0994","","","","","","1.082","","","","has coordinates","283657","2023-05-10","09:03:26",""
"8107175","7.5749","0.0004","10.0368","0.0005","17.9111","0.001","87.224","0.004","83.678","0.004","85.414","0.004","1348.05","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N5 O9 S -","- C24 H27 N5 O9 S -","- C48 H54 N10 O18 S2 -","2","1","","Mirocki, Artur","Crystal structure of 6,9-diamino-2-ethoxyacridinium 3,5-dinitrobenozate — dimethylsulfoxide — water (1/1/1), C24H27N5O9S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","639","641","10.1515/ncrs-2022-0174","","","0.71073","MoKα","","0.0844","0.0562","","","0.132","0.1477","","","","","","1.026","","","","has coordinates,has disorder","283677","2023-05-11","07:00:20",""
"8107176","6.917","0.0009","26.012","0.003","12.7449","0.0017","90","","91.896","0.004","90","","2291.9","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C104 H96 N8 O32 -","4","1","","Angevine, Devin J.; Benedict, Jason B.","The crystal structure of 4,4′-bipyridinium bis-(2-hydroxy-3-methoxybenzoate), 2(C8H7.68O4)·C10H8.64N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","643","645","10.1515/ncrs-2022-0126","","","0.71073","MoKα","","0.071","0.0471","","","0.1178","0.132","","","","","","1.026","","","","has coordinates,has disorder","283678","2023-05-11","07:05:58",""
"8107177","8.7335","0.0018","9.967","0.002","11.968","0.003","70.677","0.004","86.259","0.004","65.759","0.004","893.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Wu, Qiong; Zhang, Li; Gao, Jun-Jie; Yang, Liu; Zhang, Heng-Qiang; Fan, Li-Li; Zhang, Ya-Zhai","Crystal structure of (Z)-4-(((4-fluorophenyl)amino)(furan-2-yl)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","647","649","10.1515/ncrs-2022-0173","","","0.71073","MoKα","","0.075","0.0543","","","0.144","0.1677","","","","","","1.037","","","","has coordinates","283679","2023-05-11","07:09:25",""
"8107178","7.8555","0.0003","21.6645","0.0007","23.7584","0.0008","90","","90","","90","","4043.3","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl4 N2 O3 V -","- C18 H16 Cl4 N2 O3 V -","- C144 H128 Cl32 N16 O24 V8 -","8","1","","Wei, Wei; Zhang, Ya-Zhai; Zhang, Heng-Qiang; Zhang, Qi-Ying; Xuan, Zhao-Kun; Chen, Hong-Li","The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C18H16Cl4N2O3V","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","651","653","10.1515/ncrs-2022-0179","","","0.71073","MoKα","","0.0389","0.0296","","","0.0739","0.0799","","","","","","1.038","","","","has coordinates","283680","2023-05-11","07:12:42",""
"8107179","6.62197","0.00014","11.764","0.0002","11.8485","0.0002","90","","95.0757","0.0019","90","","919.39","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O2 -","- C21 H27 Br O2 -","- C42 H54 Br2 O4 -","2","1","","Ji, Xiao-Liang; Xie, Feng; Li, Yi-Biao","The crystal structure of 17-(bromoethynyl)-17-hydroxy-10, 13-dimethyl- 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, C21H27BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","655","657","10.1515/ncrs-2022-0165","","x-ray","1.54184","CuKα","","0.0265","0.0264","","","0.0693","0.0695","","","","","","1.055","","","","has coordinates","283682","2023-05-11","07:20:43",""
"8107180","7.4664","0.0008","8.27","0.0007","10.0709","0.0011","76.991","0.008","88.403","0.009","63.619","0.01","540.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F N2 O -","- C13 H9 F N2 O -","- C26 H18 F2 N4 O2 -","2","1","","Lu, Zhi-Qiang","The crystal structure of 4-((6-fluoropyridin-2-yloxy)methyl)benzonitrile, C13H9FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","659","660","10.1515/ncrs-2022-0177","","x-ray","0.71073","MoKα","","0.0776","0.0534","","","0.1441","0.1644","","","","","","1.039","","","","has coordinates","283683","2023-05-11","07:24:44",""
"8107181","7.4928","0.0012","14.86","0.003","11.0593","0.0018","90","","109.465","0.005","90","","1161","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O6 -","- C10 H11 N3 O6 -","- C40 H44 N12 O24 -","4","1","","Jia, Guo-Kai; Yuan, Xian-You","Crystal structure of (Z)-2-(1-bromo-2-phenylvinyl)-5-ethyl-2-methyl-1,3-dioxane-5-carboxylic acid, C15H17Br1O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","661","662","10.1515/ncrs-2022-0180","","","0.71073","MoKα","","0.0676","0.0439","","","0.0972","0.106","","","","","","1.046","","","","has coordinates,has disorder","283684","2023-05-11","08:04:16",""
"8107182","10.638","0.004","17.168","0.007","18.399","0.005","90","","120.573","0.016","90","","2893.1","1.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl2 N O4 Sn -","- C29 H31 Cl2 N O4 Sn -","- C116 H124 Cl8 N4 O16 Sn4 -","4","1","","Gao, Zhongjun; Zhang, Haifeng","Crystal structure of catena-poly[tribenzyl-κ1 C-(μ2-6-oxidopyridin-1-ium-3-carboxylato-κ2 O:O’)tin(IV)-dichloromethane-methanol (1/1/1), C29H31Cl2NO4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","663","665","10.1515/ncrs-2022-0147","","","0.71073","MoKα","","0.0383","0.0314","","","0.0821","0.0875","","","","","","1.061","","","","has coordinates","283711","2023-05-12","07:32:32",""
"8107183","12.0198","0.0004","28.0212","0.0009","12.0655","0.0004","90","","110.727","0.002","90","","3800.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 N4 O4 Zn -","- C40 H46 N4 O4 Zn -","- C160 H184 N16 O16 Zn4 -","4","1","","Zhao, Ji-Xing; Wu, Lei-Fang; Chen, Da-Qun","Crystal structure of bis{2-(tert-butyl)-6-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}zinc(II), C40H46N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","667","669","10.1515/ncrs-2022-0135","","","0.71073","MoKα","","0.0599","0.0442","","","0.0968","0.1076","","","","","","1.044","","","","has coordinates","283712","2023-05-12","07:35:55",""
"8107184","11.3326","0.0004","12.7652","0.0004","13.2629","0.0004","102.266","0.002","97.689","0.002","105.63","0.003","1767.93","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H19 Eu F8 N4 O9 -","- C40 H19 Eu F8 N4 O9 -","- C80 H38 Eu2 F16 N8 O18 -","2","1","","Zhang, Xiao-Yu; Liu, Xin-Fang; Zhao, Bei-Bei; Huang, Shi-Jie","Crystal structure of diaqua-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(phenanthroline-κ2 N,N′)-bis(μ2-3,4,5,6-tetrafluorophthalato-κ3 O:O,O′)dieuropium(III) – phenanthroline (1/2), C40H19EuF8N4O9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","671","674","10.1515/ncrs-2022-0089","","x-ray","0.71073","MoKα","","0.0378","0.0329","","","0.0619","0.0648","","","","","","1.035","","","","has coordinates","283713","2023-05-12","07:38:43",""
"8107185","10.8917","0.0009","11.2673","0.0016","23.077","0.003","90","","93.319","0.01","90","","2827.3","0.6","250","0.1","250","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Mn N3 O9 -","- C27 H31 Mn N3 O9 -","- C108 H124 Mn4 N12 O36 -","4","1","","Wang, Li-Hua; Tai, Xi-Shi","The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","675","677","10.1515/ncrs-2022-0119","","x-ray","0.71073","MoKα","","0.1035","0.0735","","","0.1709","0.1938","","","","","","1.062","","","","has coordinates","283714","2023-05-12","07:42:11",""
"8107186","15.6054","0.0008","7.0441","0.0003","12.6301","0.0006","90","","108.55","0.005","90","","1316.25","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu N6 O4 -","- C14 H8 Cu N6 O4 -","- C56 H32 Cu4 N24 O16 -","4","0.5","","Hong, Dong-Feng; Chen, Ye; Zhu, Wen-Li","The crystal structure of bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ 2 N,O)-copper(ii), C14H8N6O4Cu","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","679","680","10.1515/ncrs-2022-0178","","x-ray","0.71073","MoKα","","0.037","0.0317","","","0.0751","0.0778","","","","","","1.074","","","","has coordinates","283715","2023-05-12","07:46:12",""
"8107187","9.0143","0.0003","9.2122","0.0003","11.8205","0.0004","82.9","0.003","74.593","0.003","83.612","0.003","935.9","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cu N6 O5 -","- C19 H16 Cu N6 O5 -","- C38 H32 Cu2 N12 O10 -","2","1","","Liu, Guang-Zhen; Wang, Xiu-Jin; Wei, Wen-Hui","Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2 N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3 O:O′:N)]copper(II) hydrate, C19H16CuN6O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","681","683","10.1515/ncrs-2022-0106","","x-ray","0.71073","MoKα","","0.0301","0.0284","","","0.0684","0.0692","","","","","","1.046","","","","has coordinates","283716","2023-05-12","07:49:01",""
"8107188","9.5","0.0004","13.9989","0.0007","14.1423","0.0005","91.355","0.004","108.542","0.004","98.958","0.004","1756.02","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 F4 N O4 -","- C21 H11 F4 N O4 -","- C84 H44 F16 N4 O16 -","4","2","","Liu, Xin-Fang; Song, Jun-Ya; Zhao, Bei-Bei; Huang, Shi-Jie","Crystal structure of acrinidinium tetrafluorohydrogenphthalate, C21H11F4NO4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","685","687","10.1515/ncrs-2022-0081","","x-ray","0.71073","MoKα","","0.0734","0.0494","","","0.104","0.1157","","","","","","1.05","","","","has coordinates","283717","2023-05-12","08:21:23",""
"8107189","37.5562","0.0005","37.5562","0.0005","9.2031","0.0002","90","","90","","90","","12980.7","0.4","300","2","300","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>)pyridine-κ^2^<i>N</i>-bis(2-(2,4-\ difluorophenyl)pyridinato-κ^2^<i>C</i>,<i>N</i>)iridium(III) sesquihydrate","","- C30 H18 F4 Ir N5 -","- C30 H18 F4 Ir N5 -","- C480 H288 F64 Ir16 N80 -","16","1","","Abdul Latiff, Aqilah; Chong, Yan Yi; Mark-Lee, Wun Fui; Kassim, Mohammad B.","Crystal structure of 2-(1H-pyrazol-3-yl-κN)pyridine-κN-bis(2-(2,4-difluorophenyl)pyridinato-κ 2 C,N)iridium(III) sesquihydrate, C30H18F4IrN5·1.5[H2O]","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","689","692","10.1515/ncrs-2022-0076","","","0.71073","MoKα","","0.0371","0.0312","","","0.1052","0.1166","","","","","","1.259","","","","has coordinates","283718","2023-05-12","08:24:53",""
"8107190","11.416","0.007","13.86","0.008","8.215","0.005","90","","99.607","0.006","90","","1281.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C48 H52 N4 O28 -","4","1","","Jia, Guo-Kai; Yuan, Xian-You","Crystal structure of 2-(2-hydroxy-5-nitrophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13N1O7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","693","694","10.1515/ncrs-2022-0198","","","0.71073","MoKα","","0.0513","0.0433","","","0.1192","0.1274","","","","","","1.061","","","","has coordinates","283719","2023-05-12","08:27:58",""
"8107191","5.317","0.0004","12.8711","0.0008","11.6788","0.0007","90","","100.888","0.002","90","","784.86","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 N2 O8 -","- C12 H14 Cl2 N2 O8 -","- C24 H28 Cl4 N4 O16 -","2","0.5","","Qiu, Qi-Ming; Song, Jian-Biao; Yan, Li; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan","The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","695","696","10.1515/ncrs-2022-0190","","","1.54178","CuKα","","0.0484","0.0434","","","0.116","0.1211","","","","","","1.073","","","","has coordinates","283720","2023-05-12","08:55:17",""
"8107192","10.7134","0.0007","10.7573","0.001","26.6304","0.0018","90","","90","","90","","3069.1","0.4","219.99","0.1","219.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mn N4 O5 -","- C36 H26 Mn N4 O5 -","- C144 H104 Mn4 N16 O20 -","4","1","","Hua-Xiang, Zhang; Xi-Shi, Tai","The crystal structure of [(1,10-phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)manganese(II)] monohydrate, C36H26N4O5Mn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","697","699","10.1515/ncrs-2022-0164","","x-ray","0.71073","MoKα","","0.0605","0.0454","","","0.082","0.089","","","","","","1.027","","","","has coordinates","283721","2023-05-12","08:58:59",""
"8107193","9.0857","0.0018","9.7412","0.0019","24.213","0.005","94.25","0.03","95.26","0.03","117.58","0.03","1874.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H114 Si18 Te2 -","- C38 H114 Si18 Te2 -","- C38 H114 Si18 Te2 -","1","0.5","","Qi, Fan; Xiao, Xu-Qiong","Crystal structure of 1,2-bis(2,2,3,3,5,5,5-heptamethyl-1,1,4,4- tetrakis(trimethylsilyl)pentasilan-1-yl)ditellane, C38H114Si18Te2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","701","703","10.1515/ncrs-2022-0216","","","0.71073","MoKα","","0.0837","0.0425","","","0.1346","0.158","","","","","","0.909","","","","has coordinates","283722","2023-05-12","09:02:50",""
"8107194","8.6588","0.0003","8.7538","0.0003","11.7312","0.0004","78.23","0.001","82.06","0.001","76.031","0.001","841.05","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N9 O9 -","- C11 H13 N9 O9 -","- C22 H26 N18 O18 -","2","1","","Jun, Yuan; Bingheng, Wu; Yong, Wang; Jianlong, Wang; Duanlin, Cao; Lizhen, Chen","Crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane – dimethylformamide (1/1), C11H13N9O9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","705","706","10.1515/ncrs-2022-0161","","","0.71073","MoKα","","0.0492","0.0376","","","0.0914","0.1006","","","","","","0.989","","","","has coordinates","283723","2023-05-12","09:06:46",""
"8107195","8.249","0.0011","15.886","0.002","16.218","0.002","90","","99.465","0.002","90","","2096.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Liu, Tianhao; Lv, Menglan","Crystal structure of (Z)-3-((tert-butylamino) methylene)-2-(2-hydroxynaphthalen-1-yl) chroman-4-one, C24H23NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","707","709","10.1515/ncrs-2022-0097","","","0.71073","MoKα","","0.0932","0.0545","","","0.1503","0.1688","","","","","","0.981","","","","has coordinates","283724","2023-05-12","09:09:29",""
"8107196","7.1425","0.0007","9.2733","0.0008","14.3161","0.0013","90","","93.592","0.004","90","","946.36","0.15","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Zhao, Ji-Xing; Chen, Da-Qun; Wu, Lei-Fang","Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-ethyl oxime, C21H26N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","711","713","10.1515/ncrs-2022-0134","","","0.71073","MoKα","","0.0698","0.0461","","","0.1028","0.1148","","","","","","1.033","","","","has coordinates","283725","2023-05-12","09:21:07",""
"8107197","5.6348","0.0008","19.485","0.003","11.5316","0.0017","90","","101.013","0.002","90","","1242.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate","","- C8 H11 N8 O6 -","- C8 H11 N8 O6 -","- C32 H44 N32 O24 -","4","1","","Zhang, Guo-tao; Wang, Hua; Li, Hong-ya; Yan, Biao","Crystal structure of the double salt bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane hydrogen oxalate hemioxalate, C8H11N8O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","715","717","10.1515/ncrs-2022-0188","","","0.71073","MoKα","","0.0504","0.0396","","","0.0976","0.1039","","","","","","1.06","","","","has coordinates","283726","2023-05-12","09:29:04",""
"8107198","9.292","0.0004","11.3648","0.0005","11.9954","0.0004","96.478","0.003","104.766","0.003","103.901","0.004","1168.41","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Co0.5 N4 O4 -","- C25 H25 Co0.5 N4 O4 -","- C50 H50 Co N8 O8 -","2","1","","Guang-Zhen, Liu; Li, Ya-Di","Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-[(4-pyridinylmethyl)amino]benzoato-κ2 N:O)cobalt(II)]–1,2bi(4-pyridyl)ethene–water (1/1/1), C50H50N8O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","719","721","10.1515/ncrs-2022-0127","","x-ray","0.71073","MoKα","","0.0443","0.0393","","","0.1379","0.1431","","","","","","1.079","","","","has coordinates","283763","2023-05-15","07:16:01",""
"8107199","5.176","0.0005","17.5652","0.0019","21.734","0.002","90","","94.69","0.003","90","","1969.4","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O6 -","- C22 H15 Br N2 O6 -","- C88 H60 Br4 N8 O24 -","4","1","","Jiang, Dong-Li; Fan, Lian-Lian; Yin, Peng; Liang, Di; Li, Rui","Crystal structure of 3-(3-bromophenyl)-1′,3′-dimethyl-2′H,3H,4H-spiro[furo[3, 2-c]chromene-2,5′-pyrimidine]-2′,4,4′,6′(1′H,3′H) tetraone, C22H15BrN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","723","724","10.1515/ncrs-2022-0099","","","0.71073","MoKα","","0.1221","0.0569","","","0.095","0.1206","","","","","","1.066","","","","has coordinates","283764","2023-05-15","07:34:20",""
"8107200","17.2262","0.001","7.3474","0.0003","21.1086","0.0011","90","","111.498","0.006","90","","2485.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cu N5 O8 -","- C26 H21 Cu N5 O8 -","- C104 H84 Cu4 N20 O32 -","4","1","","Li, Gui-Lian; Liu, Meng-Ni; Du, Gao-Jing; Zhang, Jin-Yuan","The crystal structure of poly[aqua-(μ2-4,4′- bis(imidazolyl)biphenyl-κ2 N:N′)-(μ2-3-nitrobenzene-1,2-dicarboxylato-κ2 O:O′)]copper (II) hydrate, C26H21N5O8Cu","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","725","727","10.1515/ncrs-2022-0163","","x-ray","0.71073","MoKα","","0.0787","0.0629","","","0.1369","0.1433","","","","","","1.084","","","","has coordinates","283765","2023-05-15","07:46:55",""
"8107201","6.9775","0.0004","9.0785","0.0006","16.8942","0.001","103.688","0.002","92.778","0.002","106.206","0.002","990.91","0.11","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 F2 N8 O14 -","- C36 H52 F2 N8 O14 -","- C36 H52 F2 N8 O14 -","1","0.5","","Jiang, Cheng-Jun; Xia, Ying-Fan","The crystal structure of bis(4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2- yl)piperazin-1-ium) adipate tetrahydrate, C36H52F2N8O14","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","729","731","10.1515/ncrs-2022-0162","","","0.71073","MoKα","","0.053","0.0397","","","0.1001","0.1088","","","","","","1.025","","","","has coordinates","287935","2023-12-01","15:08:13",""
"8107202","7.685","0.0001","10.803","0.0001","25.9262","0.0002","90","","90","","90","","2152.42","0.04","100","0.4","100","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N Na O12 S -","- C21 H22 N Na O12 S -","- C84 H88 N4 Na4 O48 S4 -","4","1","","Chen, Hai-Lin; Huang, Xiu-Xiang; Lan, Jian-Jing; Yao, Dong-Mei; Wang, Yan-Ping; Liu, Qiu-Ping","Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4 O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","733","735","10.1515/ncrs-2022-0208","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0817","0.0818","","","","","","1.072","","","","has coordinates,has disorder","283767","2023-05-15","08:15:57",""
"8107203","14.4426","0.0009","8.3311","0.0005","16.4128","0.001","90","","109.269","0.001","90","","1864.2","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F6 N2 P Ru -","- C17 H16 Cl F6 N2 P Ru -","- C68 H64 Cl4 F24 N8 P4 Ru4 -","4","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 6-toluene)(2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluorophosphate, C17H16ClN2RuPF6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","737","739","10.1515/ncrs-2022-0210","","","0.71073","MoKα","","0.0449","0.0309","","","0.0642","0.0697","","","","","","1.027","","","","has coordinates","283768","2023-05-15","08:20:36",""
"8107204","11.18","0.002","12.32","0.003","12.754","0.003","98.263","0.002","97.524","0.002","99.47","0.002","1693.1","0.6","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H49 Cl N4 Ni O12 -","- C27 H49 Cl N4 Ni O12 -","- C54 H98 Cl2 N8 Ni2 O24 -","2","1","","Wang, Qiong; Ou, Guang-Chuan","Crystal structure of catena-poly[(5,5,7,12,12,14-hexamethyl -1,4,8,11-tetraazacyclotetradecane- κ 4 N,N′,Nʺ,N‴)nickel(II)-(μ2-perchlorato-κ 2 O:O′)] 3,5-dicarboxybenzoate – methanol (1/2), C27H49ClN4NiO12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","745","747","10.1515/ncrs-2022-0206","","","0.71073","MoKα","","0.0524","0.0423","","","0.1164","0.1238","","","","","","1.032","","","","has coordinates","283769","2023-05-15","08:24:33",""
"8107205","20.3965","0.0007","7.8164","0.0003","4.5015","0.0002","90","","90","","90","","717.66","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H6 Cl N -","- C8 H6 Cl N -","- C32 H24 Cl4 N4 -","4","0.5","","Miao, Mingzhi; Li, Ji","The crystal structure of 4-(chloromethyl)benzonitrile, C8H6ClN","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","749","750","10.1515/ncrs-2022-0196","","x-ray","1.34139","Synchrotron","GaKα","0.0275","0.0265","","","0.065","0.067","","","","","","1.087","","","","has coordinates","283770","2023-05-15","08:43:26",""
"8107206","10.149","0.002","12.338","0.003","15.898","0.003","90","","97.58","0.03","90","","1973.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Wang, Xia; Dong, Yani; Zeng, Wulan; Zhang, Xiaolong; Zhou, Mengying; Chen, Keyu","The crystal structure of dimethylammonium 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate, C19H25NO8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","751","753","10.1515/ncrs-2022-0200","","","0.71073","MoKα","","0.0687","0.0581","","","0.1681","0.1842","","","","","","1.081","","","","has coordinates","283771","2023-05-15","08:46:03",""
"8107207","28.914","0.005","7.9349","0.0014","13.062","0.002","90","","114.867","0.003","90","","2719","0.8","296.15","","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","(N-acetyl-5-bromo-4-chloro-3-indoxyl)-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","","- C24 H26 Br Cl N O11.5 -","- C24 H26 Br Cl N O11.5 -","- C96 H104 Br4 Cl4 N4 O46 -","4","1","","Liu, Yucong; Wang, Pingqiao; Ding, Haixin","Crystal structure of (2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-((1-acetyl-5-bromo-4-chloro-1H-indol-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate hemihydrate C24H25BrClNO11","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","755","757","10.1515/ncrs-2022-0132","","","0.71073","MoKα","","0.0552","0.034","","","0.0738","0.0804","","","","","","0.995","","","","has coordinates","283772","2023-05-15","08:48:44",""
"8107208","14.8676","0.0004","17.6664","0.0004","20.8357","0.0006","106.43","0.002","107.192","0.002","100.898","0.002","4787.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H116 O13 Si Sn4 -","- C103 H116 O13 Si Sn4 -","- C206 H232 O26 Si2 Sn8 -","2","1","","Aksu, Yilmaz; Irran, Elisabeth; Aksu, Sevil","The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","759","763","10.1515/ncrs-2022-0224","","","0.71073","MoKα","","0.0487","0.0367","","","0.0834","0.0893","","","","","","0.99","","","","has coordinates","283773","2023-05-15","08:53:30",""
"8107209","9.93","0.003","6.9807","0.0018","18.954","0.005","90","","93.08","0.004","90","","1312","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Wang, Tiantian; Su, Yizi; Feng, Yunyun; Deng, Xin; Tan, Yuxing","Crystal structure of methyl 3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoate, C16H13NO4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","765","766","10.1515/ncrs-2022-0241","","","0.71073","MoKα","","0.0528","0.04","","","0.1066","0.1142","","","","","","1.081","","","","has coordinates","283774","2023-05-15","09:07:05",""
"8107210","5.4588","0.0005","29.629","0.003","8.1217","0.0008","90","","93.157","0.001","90","","1311.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Guo, Chun-Mei; Chen, Sha; Chu, Mei-Jun; Wan, Min; Nie, Xu-Liang","Crystal structure of ethyl (Z)-3-amino-2-cyano-3-(2-oxo-2H-chromen-3-yl)acrylate, C15H12N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","767","768","10.1515/ncrs-2022-0234","","","0.71073","MoKα","","0.0417","0.0346","","","0.0877","0.0925","","","","","","1.05","","","","has coordinates","283775","2023-05-15","09:13:50",""
"8107211","8.0909","0.0006","24.4463","0.0018","12.698","0.001","90","","96.602","0.001","90","","2494.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","2","","Peng, Wei; Yang, Jicai; Yue, Yu; Deng, Xin; Jiang, Wujiu","Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","769","771","10.1515/ncrs-2022-0237","","","0.71073","MoKα","","0.0626","0.047","","","0.1199","0.1273","","","","","","1.052","","","","has coordinates","283776","2023-05-15","09:16:37",""
"8107212","15.759","0.0018","11.6981","0.0015","9.121","0.0012","90","","121.227","0.007","90","","1437.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H28 Co F4 N8 O6 -","- C26 H28 Co F4 N8 O6 -","- C52 H56 Co2 F8 N16 O12 -","2","0.25","","Huang, Xiao-Zhou; Lu, Jiu-Fu","Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)cobalt(II)] tetrafluoroterephthalate, C26H28N8O6F4Co","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","773","774","10.1515/ncrs-2022-0108","","","0.71073","MoKα","","0.0361","0.0323","","","0.0904","0.0923","","","","","","1.068","","","","has coordinates","283777","2023-05-15","09:22:33",""
"8107213","9.8966","0.0005","9.436","0.0004","16.7115","0.0007","90","","92.245","0.004","90","","1559.39","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(1-(2-((5-Methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4- dione","1-[-1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]-2-(4-methoxybenziylidene) hydrazine","","- C17 H14 N2 O3 S -","- C17 H14 N2 O3 S -","- C68 H56 N8 O12 S4 -","4","1","","Radulović, Niko S.; Sejmanović, Dragana M.; Ristić, Milenko N.; Dekić, Vidoslav S.; Krüger, Biljana; Kahlenberg, Volker; Rodić, Marko V.","The crystal structure of 3-(1-(2-((5-methylthiophen-2-yl)methylene)hydrazinyl)ethylidene)chroman-2,4-dione, C17H14N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","775","777","10.1515/ncrs-2022-0225","","x-ray","0.71073","MoKα","","0.0411","0.0358","","","0.0962","0.1013","","","","","","1.053","","","","has coordinates","283815","2023-05-17","07:04:21",""
"8107214","10.2106","0.0004","10.8139","0.0004","11.1963","0.0004","93.765","0.002","90.418","0.001","94.324","0.002","1229.98","0.08","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Cl F6 N2 O P Ru -","- C22 H26 Cl F6 N2 O P Ru -","- C44 H52 Cl2 F12 N4 O2 P2 Ru2 -","2","1","","Gichumbi, Joel M.; Zamisa, Sizwe J.; Friedrich, Holger B.","Crystal structure of chlorido-(η 6-toluene)(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)ruthenium(II) hexafluoridophosphate(V) ─ acetone (1/1) C22H26ClN2ORuPF6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","779","781","10.1515/ncrs-2022-0219","","","0.71073","MoKα","","0.0266","0.0251","","","0.0673","0.0683","","","","","","1.112","","","","has coordinates","283816","2023-05-17","07:41:25",""
"8107215","13.7983","0.0008","7.3771","0.0003","14.3578","0.0007","90","","101.73","0.005","90","","1430.98","0.13","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H33 Cl N6 O3 -","- C30 H33 Cl N6 O3 -","- C60 H66 Cl2 N12 O6 -","2","1","","Yao, Han; Yan, Ming; Li, Xingshu; Hu, Jinhui","Crystal structure of 4-(((2-(3-(1-(3-(3-cyanophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)phenyl) pyrimidin-5-yl)oxy)methyl)-1-methylpiperidin-1-ium chloride monohydrate, C30H33N6O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","783","785","10.1515/ncrs-2022-0087","","x-ray","1.54184","CuKα","","0.0589","0.0525","","","0.1201","0.1285","","","","","","1.033","","","","has coordinates","283817","2023-05-17","08:32:10",""
"8107216","7.918","0.002","12.766","0.003","13.767","0.004","90","","103.413","0.009","90","","1353.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N3 O2 -","- C13 H9 Cl2 N3 O2 -","- C52 H36 Cl8 N12 O8 -","4","1","","Zhu, Jian-Liang; Liu, Xing-Hai","The crystal structure of 2-chloro-N-((2-chlorophenyl)carbamoyl)nicotinamide, C13H9Cl2N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","787","788","10.1515/ncrs-2022-0255","","","0.71073","MoKα","","0.0549","0.0382","","","0.0944","0.1019","","","","","","1.052","","","","has coordinates","283818","2023-05-17","08:41:03",""
"8107217","10.447","0.002","20.13","0.004","14.772","0.003","90","","113.001","0.003","90","","2859.5","1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N10 O3 -","- C30 H32 N10 O3 -","- C120 H128 N40 O12 -","4","1","","Song, Zhi-Qiang; Hou, Ying-Jie; Sun, Hai-Yang; Zhong, Qi-Di","Crystal structure of 9-(t-butyl)-3,11-dihydro-6H-pyrazolo [1,5-a]pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidin-6-one hemihydrate, C30H32N10O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","789","791","10.1515/ncrs-2022-0265","","","0.71073","MoKα","","0.0966","0.0556","","","0.143","0.1663","","","","","","1.057","","","","has coordinates,has disorder","283819","2023-05-17","08:45:46",""
"8107218","8.0964","0.0003","13.4889","0.0005","14.0543","0.0005","90","","95.19","0.003","90","","1528.6","0.1","173","","173","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","[di-μ-hydroxidotetrakis(6-methylpyridine-2-carboxylato)-di-iron(III)]- hydrate","","- C28 H32 Fe2 N4 O13 -","- C28 H32 Fe2 N4 O13 -","- C56 H64 Fe4 N8 O26 -","2","0.5","","Cui, Hong-Meng","Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","793","795","10.1515/ncrs-2022-0240","","","0.71073","MoKα","","0.0643","0.0405","","","0.0908","0.0972","","","","","","1.035","","","","has coordinates","283820","2023-05-17","08:49:56",""
"8107219","10.0223","0.0005","9.3406","0.0005","18.6978","0.001","90","","99.322","0.006","90","","1727.27","0.16","249.99","0.1","249.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Mn N3 O5 -","- C20 H15 Mn N3 O5 -","- C80 H60 Mn4 N12 O20 -","4","1","","Huang, Guang; Chen, Xinyun","Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","797","799","10.1515/ncrs-2022-0182","","x-ray","0.71073","MoKα","","0.0502","0.0376","","","0.0794","0.0873","","","","","","1.03","","","","has coordinates","283821","2023-05-17","08:54:23",""
"8107220","8.7712","0.0005","24.6087","0.0012","9.6083","0.0004","90","","96.952","0.005","90","","2058.68","0.18","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<b>[catena-(bis(isothiocyano)-bis(μ~2~-(E)-N'-(pyridin-4-ylmethylene)\ isonicotinohydrazide))-iron(II)]-methanol(1/2)-(1,4-dioxane)(1/2)</b>","","- C36 H44 Fe N10 O8 S2 -","- C36 H44 Fe N10 O8 S2 -","- C72 H88 Fe2 N20 O16 S4 -","2","0.5","","Cui, Hong-Meng","Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","801","803","10.1515/ncrs-2022-0274","","","0.71073","MoKα","","0.1031","0.0664","","","0.1174","0.1318","","","","","","1.101","","","","has coordinates,has disorder","283822","2023-05-17","08:57:11",""
"8107221","4.9561","0.0017","31.458","0.011","9.764","0.003","90","","93.581","0.006","90","","1519.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C64 H60 Cl4 N8 O12 -","4","1","","Li, Zhaoyan","Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","805","806","10.1515/ncrs-2022-0262","","","0.71073","MoKα","","0.0844","0.0497","","","0.1162","0.1359","","","","","","1.049","","","","has coordinates","283914","2023-05-22","07:04:03",""
"8107222","10.6499","0.0005","11.0111","0.0005","11.038","0.0006","85.03","0.004","81.502","0.004","68.925","0.004","1193.77","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H36 Er2 N6 O14 -","- C52 H36 Er2 N6 O14 -","- C52 H36 Er2 N6 O14 -","1","0.5","","Li, Zhang; Hai-yan, Yu; Ying-lei, Wang; Ru-lin, Li; Ying-han, Cao","Crystal structure of bis(μ2-benzoato-k2O:O′)-bis(μ2-benzoato-k3O,O′:O′)dinitrato-k2O,O′-bis(phenanthroline-k2 N,N′)dierbium(III), C52H36Er2N6O14","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","807","809","10.1515/ncrs-2022-0169","","","0.71073","MoKα","","0.0316","0.0263","","","0.0581","0.0592","","","","","","1.008","","","","has coordinates","283915","2023-05-22","07:07:30",""
"8107223","12.2777","0.0003","9.4312","0.0002","12.9412","0.0002","90","","107.945","0.002","90","","1425.61","0.05","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C56 H48 N16 O12 S4 -","4","1","","El-Emam, Ali A.; Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.","Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","811","814","10.1515/ncrs-2022-0272","","","1.54184","CuKα","","0.0307","0.0305","","","0.0835","0.0837","","","","","","1.053","","","","has coordinates","283916","2023-05-22","07:10:19",""
"8107224","10.5248","0.0007","12.6248","0.0007","16.8913","0.0009","90","","90","","90","","2244.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one","","- C27 H39 N O -","- C27 H39 N O -","- C108 H156 N4 O4 -","4","1","","Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","815","817","10.1515/ncrs-2022-0266","","","0.71076","MoKα","","0.0763","0.0435","","","0.093","0.1033","","","","","","1.046","","","","has coordinates","283917","2023-05-22","07:21:51",""
"8107225","7.9423","0.0005","4.4163","0.0003","16.8127","0.001","90","","94.534","0.004","90","","587.87","0.06","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br2 -","- C12 H16 Br2 -","- C24 H32 Br4 -","2","0.5","","Song, Wenqi; Zhao, Mingxu; Zhu, Yanfang; Gao, Jianjing; Zhao, Yuzhen","Crystal structre of 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene, C12H16Br2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","819","820","10.1515/ncrs-2022-0233","","x-ray","1.34139","GaKα","","0.0484","0.0376","","","0.0957","0.1016","","","","","","1.062","","","","has coordinates","283918","2023-05-22","07:26:37",""
"8107226","11.7553","0.0008","6.4876","0.0004","22.3442","0.0015","90","","91.263","0.007","90","","1703.64","0.19","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O5 -","- C18 H18 N4 O5 -","- C72 H72 N16 O20 -","4","1","","Al-Wahaibi, Lamya H.; Blacque, Olivier; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","821","823","10.1515/ncrs-2022-0263","","x-ray","1.54184","CuKα","","0.0871","0.0531","","","0.1216","0.1376","","","","","","0.953","","","","has coordinates","283919","2023-05-22","07:29:34",""
"8107227","13.5787","0.0012","6.5393","0.0005","16.3645","0.0014","90","","94.598","0.008","90","","1448.4","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Deng, Xin; Zhang, Zhijian","Crystal structure of (E)-N′-benzylidene-4-nitrobenzohydrazide – methanol (1/1), C15H15N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","825","827","10.1515/ncrs-2022-0242","","","0.71073","MoKα","","0.0604","0.0465","","","0.1037","0.1106","","","","","","1.073","","","","has coordinates","283920","2023-05-22","07:33:03",""
"8107228","9.6229","0.0007","21.7953","0.0016","10.9104","0.0006","90","","109.33","0.007","90","","2159.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br O2 -","- C25 H23 Br O2 -","- C100 H92 Br4 O8 -","4","1","","Liu, Wanxing; Dai, Yifan; Shen, Guodong","The crystal structure of 3-(2-bromophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","829","831","10.1515/ncrs-2022-0250","","","1.54184","CuKα","","0.0822","0.0499","","","0.1155","0.1385","","","","","","0.971","","","","has coordinates","283921","2023-05-22","07:36:57",""
"8107229","7.4191","0.0009","24.458","0.003","25.81","0.003","90","","92.426","0.003","90","","4679.2","1","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H16 Br2 N2 O4 Zn -","- C24 H16 Br2 N2 O4 Zn -","- C192 H128 Br16 N16 O32 Zn8 -","8","1","","Yang, Xiuyan; Luo, Yingchun","Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","833","835","10.1515/ncrs-2022-0122","","","0.71073","MoKα","","0.0899","0.0514","","","0.1443","0.171","","","","","","1.08","","","","has coordinates","283922","2023-05-22","07:39:11",""
"8107230","8.5063","0.0013","12.3254","0.0019","21.843","0.003","90","","96.55","0.002","90","","2275.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N6 S4 Zn -","- C20 H14 N6 S4 Zn -","- C80 H56 N24 S16 Zn4 -","4","0.5","","Liu, Xue-Guo; Chen, Wan-Yao","Crystal structure of 1,1′-(1,2-ethanediyl)bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)zinc(II), C20H14N6ZnS4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","837","839","10.1515/ncrs-2022-0212","","","0.71073","MoKα","","0.036","0.0288","","","0.0713","0.0751","","","","","","1.047","","","","has coordinates","283923","2023-05-22","07:49:13",""
"8107231","15.4423","0.0007","9.8615","0.0005","18.0727","0.0008","90","","90.038","0.001","90","","2752.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Fe2 O5 P S2 -","- C27 H23 Fe2 O5 P S2 -","- C108 H92 Fe8 O20 P4 S8 -","4","1","","Bi, Lu-Yan; Liu, Xu-Feng","Crystal structure of pentacarbonyl-(μ2-propane-1,3-dithiolato-κ4 S:S,S′:S′)-(diphenyl(o-tolyl)phosphine-κ1 P)diiron (Fe-Fe), C27H23Fe2O5PS2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","841","843","10.1515/ncrs-2022-0268","","","0.71073","MoKα","","0.0391","0.0296","","","0.0664","0.0703","","","","","","1.046","","","","has coordinates","283924","2023-05-22","07:52:10",""
"8107232","30.162","0.0013","3.8559","0.0002","27.3897","0.0013","90","","117.61","0.004","90","","2822.7","0.3","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O6 -","- C14 H15 N3 O6 -","- C112 H120 N24 O48 -","8","1","","Jiang, Cheng-Jun; Xia, Ying-Fan; Xie, Yan-Song","The crystal structure of the cocrystal 4-hydroxy-3,5-dimethoxybenzoic acid–pyrazine-2-carboxamide(1/1), C14H15N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","845","847","10.1515/ncrs-2022-0288","","","0.71073","MoKα","","0.0351","0.0332","","","0.0885","0.0904","","","","","","1.027","","","","has coordinates","283925","2023-05-22","07:56:03",""
"8107233","20.235","0.002","6.5462","0.0008","27.386","0.003","90","","90","","90","","3627.6","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H34 Cl4 N8 Zn -","- C30 H34 Cl4 N8 Zn -","- C120 H136 Cl16 N32 Zn4 -","4","1","","Liu, Hui-Jin","The crystal structure of dichlorido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Cl4N8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","849","851","10.1515/ncrs-2022-0226","","","0.71073","MoKα","","0.0844","0.0477","","","0.0974","0.1128","","","","","","0.968","","","","has coordinates","283926","2023-05-22","08:27:00",""
"8107234","7.1782","0.0003","16.68","0.0006","12.107","0.0005","90","","92.03","0.002","90","","1448.69","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N7 O3 -","- C12 H15 N7 O3 -","- C48 H60 N28 O12 -","4","1","","Christabel, Madeline; Zhou, Ruixue; Yan, Tianhao; Zhang, Haifei; Ding, Lifeng; Wang, Ruiyao","Crystal structure of the cocrystal 2,4,6-triamino-1,3,5-triazine – 1H-isoindole-1,3(2H)-dione – methanol (1/1/1), C12H15N7O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","853","855","10.1515/ncrs-2022-0261","","","1.54178","CuKα","","0.0537","0.0449","","","0.1162","0.122","","","","","","1.05","","","","has coordinates","283927","2023-05-22","08:31:33",""
"8107235","7.3985","0.0002","16.6978","0.0005","16.5137","0.0005","90","","96.699","0.003","90","","2026.15","0.1","89.9","0.4","89.9","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O3 -","- C23 H28 O3 -","- C92 H112 O12 -","4","1","","Zhai, Pengda; Guan, Hui; Wang, Junna; Zhang, Yongkang; Wu, Haixia; Jia, Yifan; Li, Siye; Shan, Juchuan; Ding, Yue","The crystal structure of methyl 4-((3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl) benzoate, C23H28O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","857","859","10.1515/ncrs-2022-0283","","x-ray","0.71073","MoKα","","0.0573","0.0428","","","0.1041","0.1116","","","","","","1.06","","","","has coordinates","283928","2023-05-22","08:35:05",""
"8107236","8.3179","0.0003","16.68","0.0005","9.0138","0.0003","90","","103.839","0.004","90","","1214.3","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Ag N7 O3 -","- C9 H8 Ag N7 O3 -","- C36 H32 Ag4 N28 O12 -","4","1","","Yang, Jing; Wang, Xin-Ling; Du, Jun-Ya; Song, Ning","Crystal structure of (poly[µ2-(1H-pyrazol-1-yl)methyl]-1H-benzotriazole-κ 2 N:N)-(nitrato-κ 2 O:O′) silver(I), C9H8AgN7O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","861","863","10.1515/ncrs-2022-0243","","x-ray","1.54184","CuKα","","0.0493","0.0423","","","0.101","0.1065","","","","","","1.071","","","","has coordinates","283929","2023-05-22","08:39:12",""
"8107237","6.1132","0.0007","7.127","0.0009","12.311","0.0013","80.701","0.001","88.137","0.002","73.653","0.001","507.88","0.1","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","tetraaquabis[4-(1H-1,2,4-triazol-1-yl)benzoato]-cadmium","","- C18 H20 Cd N6 O8 -","- C18 H20 Cd N6 O8 -","- C18 H20 Cd N6 O8 -","1","0.5","","Feng, Yi-Min; Xia, Yu-Pei","Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","865","866","10.1515/ncrs-2022-0205","","","0.71073","MoKα","","0.0292","0.0285","","","0.0737","0.0744","","","","","","1.058","","","","has coordinates","283930","2023-05-22","08:42:04",""
"8107238","6.3975","0.0003","11.6712","0.0005","11.7199","0.0005","90","","96.677","0.004","90","","869.15","0.07","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N6 Ni O8 -","- C14 H16 N6 Ni O8 -","- C28 H32 N12 Ni2 O16 -","2","0.5","","Hong, Deng-Feng; Li, Meng-Fei; Chu, Tian-Tian","The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","867","868","10.1515/ncrs-2022-0264","","x-ray","0.71073","MoKα","","0.0433","0.034","","","0.0748","0.0789","","","","","","1.07","","","","has coordinates","283931","2023-05-22","09:09:41",""
"8107239","10.7333","0.0011","13.6796","0.0011","16.751","0.002","113.982","0.002","90.578","0.002","105.731","0.001","2142.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 Co2 N11 O12 -","- C44 H43 Co2 N11 O12 -","- C88 H86 Co4 N22 O24 -","2","1","","Wang, Qin; Gao, Jia-Hao; Zhang, Sheng-Rui; Gao, Yan-Hong; Lu, Jiu-Fu","Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","869","872","10.1515/ncrs-2022-0215","","","0.71073","MoKα","","0.0815","0.046","","","0.1015","0.1243","","","","","","1.016","","","","has coordinates","283932","2023-05-22","09:13:04",""
"8107240","9.6795","0.001","14.8391","0.0012","18.0298","0.0014","90.71","0.003","92.506","0.003","96.274","0.003","2571.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Cl N11 O2 -","- C60 H54 Cl N11 O2 -","- C120 H108 Cl2 N22 O4 -","2","1","","Zhou, Ruixue; Yan, Tianhao; Wang, Hongbo; Zhang, Haifei; Ding, Lifeng; Wang, Ruiyao","Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","873","876","10.1515/ncrs-2022-0259","","","0.71073","MoKα","","0.1992","0.0856","","","0.1871","0.2386","","","","","","1.014","","","","has coordinates,has disorder","283933","2023-05-22","09:15:46",""
"8107241","14.5762","0.0006","6.6791","0.0003","17.424","0.0007","90","","103.582","0.001","90","","1648.89","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O8 -","- C18 H16 O8 -","- C72 H64 O32 -","4","1","","Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Luo, Shuntong; Lang, Tianqiong","The crystal structure of Chrysosplenol D, C18H16O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","877","879","10.1515/ncrs-2022-0257","","","0.71076","MoKα","","0.0547","0.0436","","","0.114","0.1218","","","","","","1.028","","","","has coordinates","283934","2023-05-22","09:18:07",""
"8107242","7.6398","0.0007","9.9043","0.0005","20.116","0.0013","87.3","0.005","81.868","0.006","67.555","0.007","1392.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[deca-aqua-di(μ~4~-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- di(μ~5~-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid)-pentamanganese(II) dihydrate]","","- C44 H42 Mn5 N12 O36 -","- C44 H42 Mn5 N12 O36 -","- C44 H42 Mn5 N12 O36 -","1","0.5","","An, Yan-Yan; Yan, Juan-Zhi; Zhan, Dan","Crystal structure of poly[deca aqua-bis(μ 4-2-(triazol-1-yl)-benzene-1,3,5-tricarboxylato)- bis(μ 5-2-(triazol-1-yl)-benzene-1,3-dicarboxylato-5-carboxyl acid) pentamanganese(II)] dihydrate, C44H42Mn5N12O36","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","881","883","10.1515/ncrs-2022-0136","","","1.54184","CuKα","","0.0756","0.0554","","","0.1298","0.1446","","","","","","1.017","","","","has coordinates,has disorder","283935","2023-05-22","09:21:40",""
"8107243","14.5088","0.0004","17.4849","0.0006","7.1398","0.0002","90","","97.933","0.001","90","","1793.93","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Zhao, Ji-Xing; Wang, Xiao-Jun","Synthesis and crystal structure of (E)-1-(4-(((E)-3-(tert-butyl)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C20H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","885","887","10.1515/ncrs-2022-0282","","","0.71073","MoKα","","0.0757","0.0561","","","0.1431","0.1596","","","","","","1.048","","","","has coordinates","283936","2023-05-22","09:24:04",""
"8107244","21.2891","0.0012","39.532","0.003","5.1686","0.0003","90","","90","","90","","4349.9","0.5","140","","140","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H6 Cl2 N8 O14 -","- C14 H6 Cl2 N8 O14 -","- C112 H48 Cl16 N64 O112 -","8","0.5","","Xiao, Li; GuoLiang, Jin; JinFeng, He; JiHui, Zhang; Lizhen, Chen; JianLong, Wang","The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","889","891","10.1515/ncrs-2022-0310","","","0.71073","MoKα","","0.0753","0.0469","","","0.078","0.1051","","","","","","1.177","","","","has coordinates","283937","2023-05-22","09:26:44",""
"8107245","15.2448","0.0011","8.2189","0.0005","16.735","0.0016","90","","103.133","0.007","90","","2042","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H34 N2 -","- C23 H34 N2 -","- C92 H136 N8 -","4","0.5","","Wallach, Christoph; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of N 2,N 4-dimesitylpentane-2,4-diamine, C23H34N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","893","895","10.1515/ncrs-2022-0276","","","0.71073","MoKα","","0.0651","0.0438","","","0.1189","0.1277","","","","","","1.043","","","","has coordinates","283938","2023-05-22","09:29:17",""
"8107246","18.7986","0.0012","8.3431","0.0006","22.4638","0.0016","90","","100.554","0.005","90","","3463.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C56 H107 K2 N11 O12 -","- C56 H107 K2 N11 O12 -","- C112 H214 K4 N22 O24 -","2","1","","Wallach, Christoph; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","897","901","10.1515/ncrs-2022-0275","","","0.71073","MoKα","","0.0997","0.0712","","","0.1815","0.2226","","","","","","1.016","","","","has coordinates","283952","2023-05-23","07:38:08",""
"8107247","9.2652","0.0002","11.7642","0.0003","14.6692","0.0004","106.929","0.002","99.753","0.002","98.675","0.002","1473.15","0.07","170.01","0.11","170.01","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl4 N6 O6 -","- C25 H30 Cl4 N6 O6 -","- C50 H60 Cl8 N12 O12 -","2","1","","Zhan, An; Liu, E.; Jian, Fangfang; Liang, Tongling","The crystal structure of N′,N″,2-tris((E)-5-chloro-2-hydroxybenzylidene)hydrazine-1-carbohydrazonhydrazide hydrochloride – methanol (1/3), C25H30Cl4N6O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","903","905","10.1515/ncrs-2022-0308","","x-ray","1.54184","CuKα","","0.0301","0.0292","","","0.0832","0.0839","","","","","","1.072","","","","has coordinates,has disorder","283953","2023-05-23","07:44:19",""
"8107248","8.2887","0.0007","8.419","0.0012","13.1164","0.0015","93.634","0.011","90.609","0.009","118.201","0.011","804.17","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C38 H34 Br2 O6 -","2","1","","Zhang, Yu-Long; Liu, Shu-Lian; Hou, Gui-Ge; Wang, Lei; Zhang, Xiao-Fan","Crystal structure of (E)-7-bromo-2-(3,5-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H17BrO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","907","909","10.1515/ncrs-2022-0316","","","0.71073","MoKα","","0.0862","0.0738","","","0.1561","0.1614","","","","","","1.153","","","","has coordinates","283954","2023-05-23","08:11:44",""
"8107249","4.9709","0.0011","31.691","0.007","8.512","0.002","90","","92.376","0.004","90","","1339.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C60 H52 Cl4 N8 O12 -","4","1","","Li, Zhaoyan","Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","911","912","10.1515/ncrs-2022-0312","","","0.71073","MoKα","","0.0922","0.0559","","","0.1469","0.1676","","","","","","1.008","","","","has coordinates","283955","2023-05-23","08:16:34",""
"8107250","12.4534","0.0003","10.8106","0.0003","16.0339","0.0004","90","","94.045","0.001","90","","2153.25","0.1","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Fe N5 O5 -","- C18 H20 Br2 Fe N5 O5 -","- C72 H80 Br8 Fe4 N20 O20 -","4","1","","Yu, Guojun; Yang, Jiao; Yang, Qiuling; Wu, Qiong","{2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","913","915","10.1515/ncrs-2022-0295","","","0.71073","MoKα","","0.0393","0.0276","","","0.059","0.0644","","","","","","1.061","","","","has coordinates","283956","2023-05-23","08:23:16",""
"8107251","11.017","0.005","12.14","0.005","23.346","0.01","90","","90","","90","","3122","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","","Li, Chongyu","Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","917","919","10.1515/ncrs-2022-0330","","","0.71073","MoKα","","0.0771","0.0498","","","0.1219","0.145","","","","","","1.046","","","","has coordinates,has disorder","283957","2023-05-23","08:27:21",""
"8107252","9.4698","0.001","10.9797","0.0012","14.0366","0.0015","90","","96.807","0.001","90","","1449.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N4 O8 -","- C32 H30 N4 O8 -","- C64 H60 N8 O16 -","2","0.5","","Lu, Zhi-Qiang","Crystal structure of 5,5′-(1,4-phenylene)bis(1H-imidazol-3-ium) bis(2-(2-(carboxymethyl)phenyl)acetate), C32H30N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","921","922","10.1515/ncrs-2022-0281","","x-ray","0.71073","MoKα","","0.0526","0.0392","","","0.1032","0.1087","","","","","","1.002","","","","has coordinates","283958","2023-05-23","08:30:17",""
"8107253","12.4919","0.001","19.401","0.0015","13.2741","0.0011","90","","103.319","0.002","90","","3130.5","0.4","300","2","300.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 N5 O2 -","- C41 H29 N5 O2 -","- C164 H116 N20 O8 -","4","1","","Zhao, Wen-Ze","Crystal structure of N 2,N 6-bis(2-(((E)-naphthalen-1-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C41H29N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","923","925","10.1515/ncrs-2022-0290","","","0.71073","MoKα","","0.1056","0.0557","","","0.1476","0.1746","","","","","","1.044","","","","has coordinates","283959","2023-05-23","08:34:06",""
"8107254","5.6068","0.0002","10.0191","0.0004","18.3799","0.0008","90","","90","","90","","1032.49","0.07","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N9 O6 -","- C5 H5 N9 O6 -","- C20 H20 N36 O24 -","4","1","","Huipeng, Zhao; Pengbao, Lian; Yumin, Yan; Lizhen, Chen; Jianlong, Wang","The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","927","928","10.1515/ncrs-2022-0321","","","0.71073","MoKα","","0.0423","0.034","","","0.0728","0.0776","","","","","","1.108","","","","has coordinates","283961","2023-05-23","08:51:34",""
"8107255","7.7316","0.0006","24.8021","0.0019","26.074","0.002","90","","90","","90","","4999.9","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl2 N6 O4 -","- C26 H20 Cl2 N6 O4 -","- C208 H160 Cl16 N48 O32 -","8","1","","Tong, Jian-Ying; Sun, Na-Bo; Han, Liang; Liu, Xing-Hai","Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","929","931","10.1515/ncrs-2022-0270","","","0.71073","MoKα","","0.1146","0.0674","","","0.1437","0.1625","","","","","","1.066","","","","has coordinates","283963","2023-05-23","09:08:39",""
"8107256","7.403","0.003","8.275","0.003","14.571","0.004","106.115","0.015","98.239","0.016","95.054","0.019","841","0.5","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N2 O12 -","- C40 H32 N2 O12 -","- C40 H32 N2 O12 -","1","0.5","","Cheng, Gui-Lin; Jiang, Cheng-Jun; Xia, Ying-Fan","The crystal structure of 4,4′-bipyridine-5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one-water(1/2/2), C40H32N2O12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","933","935","10.1515/ncrs-2022-0286","","","0.71073","MoKα","","0.0384","0.0353","","","0.0949","0.098","","","","","","1.049","","","","has coordinates","283964","2023-05-23","09:20:02",""
"8107257","4.7005","0.0002","10.2279","0.0003","10.9917","0.0003","63.151","0.001","83.369","0.002","83.014","0.002","466.88","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","- C20 H22 F2 N2 O4 -","1","0.5","","Zhao, Ji-Xing; Wang, Xiao-Jun","Crystal structure of N,N'-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane, C20H22F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","937","938","10.1515/ncrs-2022-0317","","","1.54178","CuKα","","0.0397","0.0361","","","0.0983","0.1018","","","","","","1.04","","","","has coordinates","283965","2023-05-23","09:22:38",""
"8107258","14.6017","0.001","6.8095","0.0004","13.0101","0.0008","90","","113.075","0.007","90","","1190.1","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Li, Wu-Wu; Zheng, Min-Yan; Han, Ning-Ning; Yang, Meng; Li, Jiao; Cao, Sha-Sha","Crystal structure of 3-(1,3-dinitropropan-2-yl)-4H-chromen-4-one, C12H10N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","939","940","10.1515/ncrs-2022-0309","","","0.71073","MoKα","","0.0506","0.0405","","","0.0901","0.0976","","","","","","1.065","","","","has coordinates","283966","2023-05-23","09:26:02",""
"8107259","5.6574","0.0009","9.7821","0.0016","24.251","0.004","90","","93.265","0.004","90","","1339.9","0.4","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Xu, Bofan; Ren, Yuxing; Zuo, Zhenyu","The crystal structure of (4-(2-bromoethoxy)-phenyl)(phenyl)methanone, C15H13BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","941","943","10.1515/ncrs-2022-0320","","","0.71073","MoKα","","0.0699","0.0428","","","0.0851","0.093","","","","","","1.037","","","","has coordinates","283967","2023-05-23","09:29:36",""
"8107260","9.1704","0.0009","16.5309","0.0013","10.3528","0.0012","90","","112.368","0.012","90","","1451.3","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Zhang, Yu-Long; Liu, Shu-Lian; Hou, Gui-Ge; Zhang, Xiao-Fan; Wang, Lei; Xin, Wen-Yu","Crystal structure of (E)-7-bromo-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C18H15BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","945","947","10.1515/ncrs-2022-0315","","","0.71073","MoKα","","0.0713","0.0405","","","0.0582","0.0677","","","","","","0.959","","","","has coordinates","283968","2023-05-23","09:32:00",""
"8107261","8.9686","0.0015","13.554","0.002","15.365","0.003","92.113","0.003","99.047","0.003","106.492","0.003","1762.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Cd Cl10 N12 O4 -","- C60 H68 Cd Cl10 N12 O4 -","- C60 H68 Cd Cl10 N12 O4 -","1","0.5","","Zhang, Yanjun; Li, Mei","Crystal structure of dichlorido-tetrakis((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)cadmium(II), C60H68O4N12Cl10Cd","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","949","951","10.1515/ncrs-2022-0322","","","0.71073","MoKα","","0.0571","0.0436","","","0.1041","0.113","","","","","","1.018","","","","has coordinates","283969","2023-05-23","09:34:59",""
"8107262","11.3924","0.0005","12.7091","0.0004","13.2583","0.0005","102.496","0.003","97.955","0.004","105.588","0.004","1765.36","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H38 Dy2 F16 N8 O18 -","- C80 H38 Dy2 F16 N8 O18 -","- C80 H38 Dy2 F16 N8 O18 -","1","0.5","","Zhang, Xiao-Yu; Zhao, Bei-Bei; Huang, Shi-Jie; Song, Jun-Ya; Liu, Xin-Fang","Crystal structure of diaqua-diphenanthroline-κ2 N,N′-bis(μ2-2-carboxy-3,4,5,6-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-tetrafluorophthalato-κ3 O,O′:O′)didysprosium(III) – phenanthroline (1/2), C80H38Dy2F16N8O18","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","953","955","10.1515/ncrs-2022-0289","","x-ray","0.71073","MoKα","","0.0337","0.0298","","","0.0583","0.0606","","","","","","1.062","","","","has coordinates","284059","2023-05-30","07:58:44",""
"8107263","10.3151","0.0007","15.8747","0.0011","11.502","0.0008","90","","98.471","0.003","90","","1862.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N2 O12 Ti2 -","- C36 H38 N2 O12 Ti2 -","- C72 H76 N4 O24 Ti4 -","2","0.5","","Youzhu, Yu; Hui, Wang; Leilei, Li; Yuhua, Guo; Jing, Feng; Yichao, Li","Crystal structure of bis(μ2-2-oxido-2-phenylacetato-κ3 O,O′:O′)-bis(N-oxido-benzamide-κ2 O,O′)-bis(propan-2-olato-κ1 O)dititanium(IV), C36H38N2O12Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","957","959","10.1515/ncrs-2022-0326","","","0.71073","MoKα","","0.0494","0.0386","","","0.0992","0.1075","","","","","","1.038","","","","has coordinates","284060","2023-05-30","08:01:53",""
"8107264","7.9645","0.0005","9.2934","0.0006","10.0409","0.0006","66.8554","0.0008","72.9671","0.0008","83.4968","0.0009","653.41","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Eu N3 O9 -","- C9 H10 Eu N3 O9 -","- C18 H20 Eu2 N6 O18 -","2","1","","Zhang, Tian; Li, Hua Bing","Crystal structure of poly[diaqua-(μ2-1H-benzo[d][1,2,3]triazole-5-carboxylato-κ2 O:O′)(μ2-oxalato-κ4O,O:O″,O′″)europium(III)] monohydrate, C9H10N3O9Eu","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","961","963","10.1515/ncrs-2022-0336","","","0.71073","MoKα","","0.0216","0.021","","","0.0519","0.0522","","","","","","1.072","","","","has coordinates","284061","2023-05-30","08:05:49",""
"8107265","10.0452","0.0006","16.9053","0.0008","14.6374","0.0008","90","","108.029","0.006","90","","2363.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H76 N4 O16 Ti4 -","- C34 H76 N4 O16 Ti4 -","- C68 H152 N8 O32 Ti8 -","2","0.5","","Youzhu, Yu; Hui, Wang; Leilei, Li; Yuhua, Guo; Qianqian, Fu; Jingtao, Dai","Crystal structure of bis((N-methyl-2-oxyethyl)amine)-bis(μ 2-N,N,N-tris(2-oxoethyl)amine)-bis(isopropoxy)-bis(μ 3-oxo)tetratitanium(IV)– isopropanol (1/2), C34H76N4O16Ti4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","965","967","10.1515/ncrs-2022-0325","","","0.71073","MoKα","","0.0841","0.0678","","","0.1948","0.2126","","","","","","1.071","","","","has coordinates","284062","2023-05-30","08:14:30",""
"8107266","5.7004","0.0002","6.8909","0.0003","19.6509","0.0008","100.035","0.004","94.465","0.003","99.447","0.004","745.27","0.05","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 I N O2 -","- C16 H16 I N O2 -","- C32 H32 I2 N2 O4 -","2","1","","Lv, Chun-Jie","Synthesis and crystal structure of ethyl 4-((4-iodobenzyl)amino)benzoate, C16H16INO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","969","970","10.1515/ncrs-2022-0341","","","0.71073","MoKα","","0.0393","0.0321","","","0.0561","0.0595","","","","","","1.062","","","","has coordinates","284063","2023-05-30","08:18:09",""
"8107267","14.8062","0.0002","15.8918","0.0002","20.0121","0.0003","90","","90","","90","","4708.79","0.11","296.2","0.5","296.2","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H34 N2 -","- C26 H34 N2 -","- C208 H272 N16 -","8","1","","Liu, Yingfan; Zhao, Zhiqiang","Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","971","974","10.1515/ncrs-2022-0307","","x-ray","1.54184","CuKα","","0.0608","0.0548","","","0.1618","0.1701","","","","","","1.057","","","","has coordinates,has disorder","284064","2023-05-30","08:20:42",""
"8107268","11.1483","0.0009","10.5789","0.0008","11.8538","0.001","90","","115.883","0.002","90","","1257.76","0.18","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(dimethylammonium) (μ-1,1'-(1,4-phenylenebis(methylene)) bis(1H-pyrazole-3,5-dicarboxylato))-di-manganese(II)]","","- C22 H26 Mn N6 O8 -","- C22 H26 Mn N6 O8 -","- C44 H52 Mn2 N12 O16 -","2","0.5","","Xia, Yu-Pei; Han, Lu-Lu","Crystal structure of dimethylammonium poly[μ4-1,1′-(1,4- phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato-κ6 N,O:O′:N′,O″:O‴) manganese(II)], C22H26MnN6O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","975","976","10.1515/ncrs-2022-0340","","","0.71073","MoKα","","0.0895","0.0585","","","0.1485","0.1614","","","","","","0.929","","","","has coordinates","284065","2023-05-30","08:35:33",""
"8107269","7.1407","0.0005","12.5905","0.0008","24.6662","0.0017","103.442","0.006","93.551","0.005","101.219","0.005","2102.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 Cl4 O4 -","- C48 H40 Cl4 O4 -","- C96 H80 Cl8 O8 -","2","1","","Li, Zhen; Liu, Wanxing; Wang, Baolei; Yang, Yanbing; Liu, Dong; Dai, Yifan","The crystal structure of 1,5-bis(4-chlorophenyl)-3-(3-methylphenyl)pentane- 1,5-dione, C48H40Cl4O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","977","979","10.1515/ncrs-2022-0335","","","1.54184","CuKα","","0.1129","0.0595","","","0.1303","0.1641","","","","","","1.064","","","","has coordinates","284086","2023-05-31","08:16:02",""
"8107270","7.6619","0.0015","18.47","0.004","19.113","0.004","90","","90.53","0.03","90","","2704.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 N6 Ni O7 -","- C31 H18 N6 Ni O7 -","- C124 H72 N24 Ni4 O28 -","4","1","","Tang, Zhiwei; Wu, Dewu; Wen, Decai","Crystal structure of (bis(1,10-phenanthroline-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C31H18N6NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","981","983","10.1515/ncrs-2022-0332","","","0.71073","MoKα","","0.1042","0.0608","","","0.144","0.1656","","","","","","1.064","","","","has coordinates","284087","2023-05-31","08:20:54",""
"8107271","8.4062","0.0002","10.9987","0.0003","11.8247","0.0003","97.969","0.001","103.217","0.001","110.601","0.001","967.04","0.04","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F2 N2 O4 Zn -","- C20 H20 F2 N2 O4 Zn -","- C40 H40 F4 N4 O8 Zn2 -","2","1","","Zhao, Ji-Xing; Wang, Xiao-Jun","Crystal structure of {N,N′-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane-κ4 O,N,N′,O′}zinc(II), C20H20F2N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","985","986","10.1515/ncrs-2022-0323","","","1.54178","CuKα","","0.0424","0.0415","","","0.116","0.1167","","","","","","1.115","","","","has coordinates","284088","2023-05-31","08:38:22",""
"8107272","7.0191","0.0005","10.8476","0.0007","19.0237","0.0012","90","","95.564","0.002","90","","1441.65","0.17","148","2","148","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N3 Ni O S -","- C12 H14 Br N3 Ni O S -","- C48 H56 Br4 N12 Ni4 O4 S4 -","4","1","","Huang, Meifen; Chen, Zhizheng; Xu, Jiajun; Wu, Qiong","[5-Bromo-2-(2-(dimethylamino)ethyliminomethyl)phenolato-κ3 N,N′,O]-isothiocyanato-nickel(II), C12H14BrN3NiOS","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","987","989","10.1515/ncrs-2022-0305","","","0.71073","MoKα","","0.0625","0.0416","","","0.0926","0.1007","","","","","","0.931","","","","has coordinates,has disorder","284089","2023-05-31","08:41:12",""
"8107273","10.5097","0.0007","6.699","0.0005","23.5623","0.0015","90","","92.038","0.006","90","","1657.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N4 O -","- C18 H15 Br N4 O -","- C72 H60 Br4 N16 O4 -","4","1","","Li, Wenxuan; Wang, Lei; Jiang, Nan; Hou, Guige; Liu, Yongjun","Crystal structure of 9-bromo-4-(6-methoxypyridin-2-yl)-5,6-dihydrobenzo[h]quinazolin- 2-amine, C18H15BrN4O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","991","993","10.1515/ncrs-2022-0339","","","0.71073","MoKα","","0.0575","0.0393","","","0.079","0.0863","","","","","","1.029","","","","has coordinates","284090","2023-05-31","08:45:23",""
"8107274","7.2479","0.0002","7.2479","0.0002","21.6138","0.0008","90","","90","","90","","1135.42","0.06","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H5 N3 O3 -","- C3 H5 N3 O3 -","- C24 H40 N24 O24 -","8","1","","Xiao, Li; Hongxia, Pan; Qiang, Liu; Lei, Gong; Lizhen, Chen; Jianlong, Wang","The crystal structure of imidazolium nitrate, C3H5O3N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","995","996","10.1515/ncrs-2022-0348","","x-ray","1.54184","CuKα","","0.0353","0.0344","","","0.0893","0.0903","","","","","","1.103","","","","has coordinates","284091","2023-05-31","09:10:10",""
"8107275","18.909","0.004","16.149","0.003","26.05","0.005","90","","90","","90","","7955","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cd3 I2 N4 O8 -","- C36 H36 Cd3 I2 N4 O8 -","- C288 H288 Cd24 I16 N32 O64 -","8","1","","Hu, Jin; Lu, Xin-Hua","Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","997","999","10.1515/ncrs-2022-0313","","","0.71073","MoKα","","0.0458","0.0439","","","0.0746","0.0752","","","","","","1.335","","","","has coordinates,has disorder","284092","2023-05-31","09:18:34",""
"8107276","9.333","0.007","19.038","0.013","7.042","0.005","90","","111.989","0.01","90","","1160.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Mn N12 O12 -","- C14 H18 Mn N12 O12 -","- C28 H36 Mn2 N24 O24 -","2","0.5","","Zhang, Ya-Ping; Li, Zu-Tian","Crystal structure of [diaqua-bis(2-((1H-tetrazol-1-yl)methyl)-5-carboxy-1H-imidazole-4-carboxylato-κ2 N,O) manganese(II)] dihydrate, C14H18MnN12O12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1001","1003","10.1515/ncrs-2022-0304","","","0.71073","MoKα","","0.0337","0.0301","","","0.0781","0.0809","","","","","","1.056","","","","has coordinates","284093","2023-05-31","09:21:26",""
"8107277","13.2154","0.0004","16.9075","0.0006","13.9347","0.0005","90","","90","","90","","3113.56","0.18","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Fe N4 O10 -","- C13 H14 Fe N4 O10 -","- C104 H112 Fe8 N32 O80 -","8","1","","Zhang, Ya-Ping; Pu, Lu-Yu; Sun, De-Mei","Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1005","1007","10.1515/ncrs-2022-0298","","","0.71073","MoKα","","0.0528","0.0362","","","0.0871","0.0971","","","","","","1.018","","","","has coordinates,has disorder","284094","2023-05-31","09:24:40",""
"8107278","13.131","0.003","8.2018","0.0016","20.973","0.004","90","","103.59","0.03","90","","2195.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cd2 N2 O8 -","- C20 H22 Cd2 N2 O8 -","- C80 H88 Cd8 N8 O32 -","4","1","","Guo, Xiao-Yu; Liu, Yun-Chao; Yin, Peng-Hui","Crystal structure of poly[dimethanol-κ1O-(µ2-(E)-2-((2-oxidobenzylidene)amino)acetato)-(µ3-(E)-2-((2-oxidobenzylidene)amino)acetato)dicadmium(II)], C20H22Cd2N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1009","1011","10.1515/ncrs-2022-0172","","","0.71073","MoKα","","0.0279","0.026","","","0.0596","0.0609","","","","","","1.069","","","","has coordinates","284095","2023-05-31","09:30:30",""
"8107279","12.3871","0.0018","19.114","0.003","13.243","0.0016","90","","103.236","0.004","90","","3052.2","0.8","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N7 O2 -","- C39 H27 N7 O2 -","- C156 H108 N28 O8 -","4","1","","Zhao, Wen-Ze","Crystal structure of N 2,N 6-bis(2-(((E)-quinolin-8-ylmethylene)amino)phenyl)pyridine-2,6-dicarboxamide, C39H27N7O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1013","1015","10.1515/ncrs-2022-0338","","","0.71073","MoKα","","0.081","0.0516","","","0.1136","0.1313","","","","","","1.095","","","","has coordinates","284096","2023-05-31","09:34:28",""
"8107280","9.28478","0.00014","12.2214","0.0002","13.4088","0.0002","76.2062","0.0014","88.2421","0.0013","89.4102","0.0013","1476.95","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 I3 N4 O3 -","- C7 H11 I3 N4 O3 -","- C28 H44 I12 N16 O12 -","4","2","","Reiss, Guido J.; Wyshusek, Maik; Rheinländer, Jana C.","An I 6 2 − ${μathrm{I}}_{6}^{2-}$ anion in the crystal structure of theophyllinium triiodide monohydrate, C7H11I3N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1017","1020","10.1515/ncrs-2022-0358","","","0.71073","MoKα","","0.0243","0.0197","","","0.0469","0.0493","","","","","","1.052","","","","has coordinates","284119","2023-06-01","06:44:57",""
"8107281","15.045","0.0011","5.8526","0.0004","17.9672","0.0013","90","","92.768","0.002","90","","1580.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B6 N2 O9 -","- C10 H10 B6 N2 O9 -","- C40 H40 B24 N8 O36 -","4","1","","Qiu, Qi-Ming; Yan, Li; Song, Jian-Biao","The crystal structure of poly[6,6′-oxybis(4-(pyridin-1-ium-1-yl)-1,3,5,2,4,6-trioxatriborinan-2-olate)], [B6O9](C5H5N)2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1021","1022","10.1515/ncrs-2022-0365","","","0.71073","MoKα","","0.0604","0.0396","","","0.0855","0.0956","","","","","","1.018","","","","has coordinates","284120","2023-06-01","06:48:18",""
"8107282","19.8694","0.0011","12.5765","0.0007","8.699","0.0005","90","","90","","90","","2173.8","0.2","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H132 N4 O20 P12 Rh4 -","- C60 H132 N4 O20 P12 Rh4 -","- C60 H132 N4 O20 P12 Rh4 -","1","0.125","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","The crystal structure of (carbonato κ2 O,O′)(2-oxopyridin-1(2H)-olato-κN)tris(trimethylphosphine)rhodium(III) water solvate, C15H33NO5P3Rh","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1023","1025","10.1515/ncrs-2022-0345","","","0.71073","MoKα","","0.0537","0.0394","","","0.0841","0.0941","","","","","","1.14","","","","has coordinates","284121","2023-06-01","06:52:21",""
"8107283","28.5","0.006","6.6384","0.0013","20.522","0.004","90","","108.376","0.004","90","","3684.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Br2 Cl2 N8 Zn -","- C30 H34 Br2 Cl2 N8 Zn -","- C120 H136 Br8 Cl8 N32 Zn4 -","4","0.5","","Liu, Hui-Jin","The crystal structure of dibromido-bis((RS)-2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile-κ1 N)zinc(II), C30H34Br2Cl2N8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1027","1028","10.1515/ncrs-2022-0342","","","0.71073","MoKα","","0.0774","0.0485","","","0.1288","0.1452","","","","","","1.024","","","","has coordinates","284122","2023-06-01","06:57:16",""
"8107284","17.855","0.004","18.214","0.004","14.193","0.003","90","","124.32","0.03","90","","3812","2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N4 O11 -","- C19 H14 N4 O11 -","- C152 H112 N32 O88 -","8","1","","Chen, Hai-Lin; Yao, Dong-Mei; Luo, Ze-Ping; Wang, Yan-Ping; Luo, Li-Sheng","Synthesis and crystal structure of 3-(((7-hydroxy-3-(4-hydroxy-3,5-dinitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)(nitroso)amino)propanoic acid, C19H14N4O11","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1029","1031","10.1515/ncrs-2022-0352","","x-ray","1.54184","CuKα","","0.0672","0.0639","","","0.1867","0.1897","","","","","","1.081","","","","has coordinates","284123","2023-06-01","07:00:21",""
"8107285","5.671","0.004","18.225","0.013","17.99","0.02","90","","90.18","0.04","90","","1859","3","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate","","- C18 H20 Cl N O5 S -","- C18 H20 Cl N O5 S -","- C72 H80 Cl4 N4 O20 S4 -","4","1","","Li, Yong; Wu, Yundeng; Wang, Jingjing","The crystal structure of 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate, C18H20ClNO5S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1033","1036","10.1515/ncrs-2022-0376","","","0.71073","MoKα","","0.0392","0.0316","","","0.0759","0.0813","","","","","","1.05","","","","has coordinates,has disorder","284124","2023-06-01","07:03:58",""
"8107286","13.5004","0.0004","13.5677","0.0003","14.2006","0.0004","90","","90","","90","","2601.12","0.12","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C36 H26 Te -","- C36 H26 Te -","- C144 H104 Te4 -","4","1","","Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto","Crystal structure of di([1,1′:3′,1″-terphenyl]-2′-yl)tellane, C36H26Te","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1037","1039","10.1515/ncrs-2022-0367","","x-ray","0.71073","MoKα","","0.0313","0.0247","","","0.0509","0.053","","","","","","1.039","","","","has coordinates","284125","2023-06-01","07:10:57",""
"8107287","7.0347","0.0006","12.8467","0.0007","9.0017","0.0006","90","","112.525","0.009","90","","751.45","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N6 O6 Zn -","- C14 H12 N6 O6 Zn -","- C28 H24 N12 O12 Zn2 -","2","0.5","","Kong, Yang; Wang, Chang-Zhao","The crystal structure of diaqua-bis(pyrazolo[1,5-a]-pyrimidine-3-carboxylato-κ2 N,O)zinc(II), C14H12N6O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1041","1042","10.1515/ncrs-2022-0357","","x-ray","0.71073","MoKα","","0.0357","0.0289","","","0.0703","0.0736","","","","","","1.082","","","","has coordinates","284126","2023-06-01","07:16:09",""
"8107288","23.938","0.002","9.1931","0.0008","12.6327","0.001","90","","91.828","0.007","90","","2778.6","0.4","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C31 H32 N4 O4 -","- C31 H32 N4 O4 -","- C124 H128 N16 O16 -","4","1","","Zhang, Zhijian; Jiang, Wujiu; Zhang, Fuxing; Li, Aodian","Crystal structure of N′,N‴-((1E,2E)-1,2-diphenylethane-1,2-diylidene)bis(4-methylbenzohydrazide) – water – methanol (1/1/1), C31H32N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1043","1045","10.1515/ncrs-2022-0375","","","0.71073","MoKα","","0.0869","0.0544","","","0.1228","0.1388","","","","","","1.027","","","","has coordinates","284127","2023-06-01","07:19:21",""
"8107289","11.6567","0.0003","4.8048","0.0001","28.1051","0.0007","90","","101.336","0.002","90","","1543.4","0.06","250.01","0.1","250.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-((2,4-dichlorobenzyl)thio)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo [4,3-c]pyrimidine","","- C14 H9 Cl2 F3 N4 S -","- C14 H9 Cl2 F3 N4 S -","- C56 H36 Cl8 F12 N16 S4 -","4","1","","Lan, Wen-Jun; Liu, Chun-Yi; Luo, Yan-Bi; Fei, Qiang; Wu, Wen-Neng","Crystal structure of 3-((2,4-dichlorobenzyl)thio)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo [4,3-c]pyrimidine, C14H9Cl2F3N4S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1047","1048","10.1515/ncrs-2022-0360","","x-ray","1.54184","CuKα","","0.0374","0.0358","","","0.1","0.1014","","","","","","1.106","","","","has coordinates","284128","2023-06-01","07:39:10",""
"8107290","7.3855","0.0002","28.1424","0.0009","8.5863","0.0003","90","","98.404","0.001","90","","1765.46","0.1","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,6,7-tetramethoxy-3',4'-methylenedioxy-flavone","","- C20 H18 O8 -","- C20 H18 O8 -","- C80 H72 O32 -","4","1","","Gu, Ming; Li, Ji-Xin; Ye, Jiang-Hai; Zou, Juan; Liu, Ya-Hua","Crystal structure of 3,5,6,7-tetramethoxy-3′,4′-methylenedioxy-flavone, C20H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1049","1050","10.1515/ncrs-2022-0337","","","0.71073","MoKα","","0.0805","0.0545","","","0.1467","0.1641","","","","","","1.039","","","","has coordinates","284129","2023-06-01","07:51:22",""
"8107291","10.6468","0.0011","11.6739","0.0009","14.5312","0.0009","93.976","0.005","102.005","0.007","111.827","0.008","1618.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-[(5,5'-dimethyl-2,2'-bipyridine-κ^2^ N, N')-(μ~3~-hydrogen 1,1',1''-(1,3,5-triazine-2,4,6-triyl)tris(piperidine-4-carboxylato)-κ^6^ O, O, O', O'', O''')-cadmium(II)]","","- C33 H40 Cd N8 O6 -","- C33 H40 Cd N8 O6 -","- C66 H80 Cd2 N16 O12 -","2","1","","Zhang, Hua-Xiang","Crystal structure of catena-poly[(5,5′-dimethyl-2,2′-bipyridine-κ 2 N,N′)-(μ 3-hydrogen-1,1′,1″-(1,3,5-triazine-2,4,6-triyl)tris(piperidine-4-carboxylato)- κ 5 O:O,O′:O″,O‴)-cadmium(II)], C33H40CdN8O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1051","1053","10.1515/ncrs-2022-0351","","","0.71073","MoKα","","0.0728","0.048","","","0.0937","0.1102","","","","","","1.046","","","","has coordinates,has disorder","284147","2023-06-02","08:28:44",""
"8107292","9.5601","0.0003","9.521","0.0003","10.7651","0.0003","90","","94.564","0.003","90","","976.75","0.05","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 -","- C9 H17 N3 -","- C36 H68 N12 -","4","1","","Fujisawa, Kiyoshi; Ageishi, Keigo; Okano, Mitsuki; Tiekink, Edward R. T.","The crystal structure of 3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C9H17N3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1055","1057","10.1515/ncrs-2022-0362","","","0.71073","MoKα","","0.0548","0.0432","","","0.1143","0.1223","","","","","","1.016","","","","has coordinates","284148","2023-06-02","08:31:50",""
"8107293","5.2259","0.0001","9.996","0.0002","17.0076","0.0003","102.134","0.0015","92.916","0.0016","90.755","0.0013","867.21","0.03","94.98","0.14","95","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 Br2 N5 S2 -","- C13 H19 Br2 N5 S2 -","- C26 H38 Br4 N10 S4 -","2","1","","Eigner, Václav","The crystal structure of 2,2′-((pyridine-2,6-diylbis(methylene))bis(sulfanediyl))-bis(4,5-dihydro-1H-imidazol-3-ium) bromide, C13H19Br2N5S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1061","1063","10.1515/ncrs-2022-0397","","x-ray","1.54184","CuKα","","0.0214","0.0205","","","0.0726","0.0737","","","","1.6137","1.6137","1.6139","","","","has coordinates","284149","2023-06-02","08:49:13",""
"8107294","8.9215","0.0015","10.0013","0.0015","10.5713","0.0015","62.517","0.002","75.325","0.002","68.993","0.001","776.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","1","","Zhu, Nina; Zhao, Jimin; Zhang, Lihui","Crystal structure of E-2-chloro-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)benzohydrazide, C16H14Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1065","1066","10.1515/ncrs-2022-0413","","","0.71073","MoKα","","0.0487","0.0417","","","0.1321","0.1414","","","","","","1.06","","","","has coordinates","284150","2023-06-02","08:52:18",""
"8107295","28.5901","0.001","6.4383","0.0004","20.06","0.001","90","","99.682","0.004","90","","3639.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O2 S -","- C20 H24 N4 O2 S -","- C160 H192 N32 O16 S8 -","8","1","","Al-Wahaibi, Lamya H.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of 3-(adamantan-1-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, C20H24N4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1067","1070","10.1515/ncrs-2022-0392","","x-ray","1.54184","CuKα","","0.1046","0.0557","","","0.1256","0.1514","","","","","","1.003","","","","has coordinates","284151","2023-06-02","08:58:19",""
"8107296","8.0148","0.0018","12.141","0.003","14.843","0.003","107.379","0.004","98.415","0.004","93.43","0.004","1355.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 Mn N10 O14 Ru -","- C58 H46 Mn N10 O14 Ru -","- C58 H46 Mn N10 O14 Ru -","1","0.5","","Zhou, Tingting","The crystal structure of dimethanol-κ1O-(5,10,15,20-tetrakis(4-nitrophenyl)porphyrin-21,23-diido-κ4 O,O′,O″,O′″)manganese(III) trans-dicyanido-κ1C-bis(acetylacetonato-κ2 O,O′)ruthenium(III), C58H46N10O14RuMn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1071","1073","10.1515/ncrs-2022-0349","","","0.71073","MoKα","","0.0949","0.0509","","","0.1184","0.14","","","","","","1.041","","","","has coordinates","284152","2023-06-02","08:59:30",""
"8107297","17.8513","0.0003","13.3869","0.0002","8.5944","0.0002","90","","90","","90","","2053.83","0.07","124","2","124","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H13 B F9 N7 Ni O -","- C15 H13 B F9 N7 Ni O -","- C60 H52 B4 F36 N28 Ni4 O4 -","4","0.5","","Fujisawa, Kiyoshi; Kataoka, Taisei; Terashima, Kohei; Tiekink, Edward R. T.","The crystal structure of nitroxyl-κ N-{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl-κN 3)borato}nickel(II), C15H13BF9N7NiO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1075","1078","10.1515/ncrs-2022-0369","","","0.71073","MoKα","","0.025","0.0235","","","0.0679","0.069","","","","","","1.046","","","","has coordinates","284153","2023-06-02","09:13:40",""
"8107298","29.3459","0.0013","10.2867","0.0004","19.878","0.0009","90","","107.243","0.005","90","","5730.9","0.5","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni O5 -","- C34 H26 N4 Ni O5 -","- C272 H208 N32 Ni8 O40 -","8","1","","Tingting, Zhou; Zhen, Cao","The crystal structure of [(2,2′-bipyridine-κ2 N,N)-bis(6-phenylpyridine-2-carboxylato- κ2 N,O)nickel(II)] monohydrate, C34H26N4O5Ni","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1079","1081","10.1515/ncrs-2022-0361","","x-ray","0.71073","MoKα","","0.0402","0.0326","","","0.0771","0.0817","","","","","","1.066","","","","has coordinates","284154","2023-06-02","09:17:20",""
"8107299","10.9913","0.0004","11.0451","0.0005","30.3925","0.0014","90","","90","","90","","3689.6","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C160 H120 F40 N16 O24 -","8","1","","Wu, Yundeng; Xie, Jun; Wan, Hui; Xu, Xiangyang; Li, Jian","The crystal structure of 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione, C20H15F5N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1083","1085","10.1515/ncrs-2022-0391","","","0.71073","MoKα","","0.0519","0.036","","","0.082","0.0927","","","","","","1.053","","","","has coordinates","284155","2023-06-02","09:20:42",""
"8107300","14.4583","0.0012","6.6553","0.0005","14.8395","0.0011","90","","113.733","0.003","90","","1307.16","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F3 N O3 -","- C14 H12 F3 N O3 -","- C56 H48 F12 N4 O12 -","4","1","","Wang, Jingjing; Wu, Yundeng; Li, Yong","The crystal structure of ethyl 2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)benzoate, C14H12F3NO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1087","1089","10.1515/ncrs-2022-0412","","","0.71073","MoKα","","0.0589","0.0479","","","0.1235","0.1326","","","","","","1.049","","","","has coordinates,has disorder","284348","2023-06-05","08:48:44",""
"8107301","7.7117","0.0002","18.7735","0.0004","24.8518","0.0004","90","","90","","90","","3597.93","0.13","212.99","0.1","212.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 Cu N2 O2 -","- C20 H12 Br2 Cu N2 O2 -","- C160 H96 Br16 Cu8 N16 O16 -","8","1","","Yang, Jiao; Xu, Jiajun; Liao, Nichan; Wu, Qiong","[2,2′-{Ethane-1,2-diylbis[(azanylylidene)methanylylidene]}bis(3-bromo-2-hydroxyphenyl)]iron(III) nitrate, C20H12Br2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1091","1092","10.1515/ncrs-2022-0297","","x-ray","1.54184","CuKα","","0.0507","0.0399","","","0.1073","0.1125","","","","","","1.097","","","","has coordinates","284349","2023-06-05","08:52:39",""
"8107302","8.0778","0.0006","11.1909","0.001","14.3114","0.0012","90","","90","","90","","1293.72","0.19","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","","Caracelli, Ignez; Teixeira, Wystan K. O.; de Albuquerque, Danilo Yano; Schwab, Ricardo S.; Tiekink, Edward R. T.","The crystal structure of 1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole, C14H10IN3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1093","1096","10.1515/ncrs-2022-0408","","","0.71073","MoKα","","0.0362","0.0312","","","0.0758","0.079","","","","","","1.041","","","","has coordinates","284393","2023-06-07","07:50:00",""
"8107303","12.391","0.005","21.034","0.008","10.777","0.004","90","","113.589","0.007","90","","2574.1","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 O6 S2 -","- C30 H20 O6 S2 -","- C120 H80 O24 S8 -","4","1","","Chen, Yang; Xiao, Tao; Liu, Feng; Yan, Xiaolong","Synthesis and crystal structure of 2-(2-oxo-2-(thiophen-2-yl)ethyl)-4H-chromen-4-one, C15H10O3S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1097","1099","10.1515/ncrs-2022-0371","","","0.71073","MoKα","","0.1226","0.0704","","","0.1666","0.1988","","","","","","1.006","","","","has coordinates","284394","2023-06-07","07:52:35",""
"8107304","12.4679","0.0002","8.6176","0.0001","19.7854","0.0003","90","","97.161","0.001","90","","2109.23","0.05","212.99","0.1","212.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Br2 Cl2 Cu N2 O2 -","- C19 H16 Br2 Cl2 Cu N2 O2 -","- C76 H64 Br8 Cl8 Cu4 N8 O8 -","4","1","","Wu, Qiong; Yu, Guojun; Yang, Jiao; Yang, Qiuling","{6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-bromo-4-chlorophenolate)-κ4N,N′,O,O′}copper(II), C19H16Br2Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1101","1103","10.1515/ncrs-2022-0296","","x-ray","1.54184","CuKα","","0.0383","0.0325","","","0.0832","0.0865","","","","","","1.092","","","","has coordinates","284395","2023-06-07","07:54:58",""
"8107305","20.6917","0.0006","10.1392","0.0003","16.9544","0.0005","90","","115.739","0.001","90","","3204.07","0.17","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","1","","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","The crystal structure of N′-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide, C19H15N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1105","1107","10.1515/ncrs-2022-0356","","x-ray","0.71073","MoKα","","0.0426","0.0364","","","0.0956","0.1009","","","","","","1.044","","","","has coordinates","284396","2023-06-07","07:57:30",""
"8107306","11.1835","0.0005","11.6782","0.0005","11.9295","0.0005","83.9","0.003","66.911","0.004","64.232","0.004","1286.83","0.11","213","0.1","213","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl3 Co N2 O4 -","- C26 H22 Cl3 Co N2 O4 -","- C52 H44 Cl6 Co2 N4 O8 -","2","1","","Lan, Qiaoling; Huang, Meifen; Xu, Jiajun; Wu, Qiong","Crystal structure of 2-chloro-6-formylphenolato-κ2O,O′-(6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-chlorophenolato)κ4 N,N,O,O′)cobalt(III), C26H22Cl3CoN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1109","1111","10.1515/ncrs-2022-0306","","x-ray","1.54184","CuKα","","0.042","0.0375","","","0.088","0.0899","","","","","","1.079","","","","has coordinates","284398","2023-06-08","07:26:34",""
"8107307","9.2712","0.0008","14.5959","0.0013","16.6178","0.0013","76.089","0.007","77.068","0.007","74.717","0.007","2074.5","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 N4 O8 Pb2 -","- C48 H32 N4 O8 Pb2 -","- C96 H64 N8 O16 Pb4 -","2","1","","Li-Hua, Wang; Hao-Wen, Tai; Qiu-Shi, Li; Yu-Pei, Xia; Xi-Shi, Tai","The crystal structure of tetrakis(6-phenylpyridine-2-carboxylate-κ 2 N,O)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 2 O:O′)-bis(μ2-6-phenylpyridine-2-carboxylate-κ 3N,O:O)tetralead(II) C48H32N4O8Pb2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1113","1116","10.1515/ncrs-2022-0378","","x-ray","0.71073","MoKα","","0.0774","0.0563","","","0.1536","0.1783","","","","","","1.027","","","","has coordinates","284399","2023-06-08","07:29:52",""
"8107308","8.9847","0.0019","18.284","0.004","11.107","0.003","90","","115.942","0.002","90","","1640.8","0.7","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 O6 -","- C16 H14 Cl2 O6 -","- C64 H56 Cl8 O24 -","4","1","","Liu, Juan; Chen, Sai; Wang, Meng; Yuan, Wei-Hua; Li, Honglei","The crystal structure of 3,7-dihydroxy-9-methoxy-4a-methyl-4aH-benzo[c] chromene-2,6-dione —dichloromethane (1/1), C16H14Cl2O6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1117","1118","10.1515/ncrs-2022-0418","","","0.71073","MoKα","","0.061","0.0473","","","0.1248","0.1358","","","","","","1.04","","","","has coordinates","284400","2023-06-08","07:32:15",""
"8107309","11.1882","0.0011","8.0672","0.0008","14.0813","0.0015","90","","94.084","0.002","90","","1267.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C52 H36 Cl4 N8 O16 -","4","1","","Zhang, Zhijian; Xiao, Xiyuan; Jiang, Wujiu; Feng, Hao","The crystal structure of (Z)-6-(((5-chloro-2-hydroxyphenyl)amino)methylene)- 4-nitrocyclohexa, C13H9ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1119","1120","10.1515/ncrs-2022-0419","","","0.71073","MoKα","","0.0737","0.0427","","","0.0955","0.1104","","","","","","1.03","","","","has coordinates","284401","2023-06-08","07:40:04",""
"8107310","8.816","0.002","13.688","0.004","15.169","0.004","91.085","0.005","98.609","0.004","106.874","0.005","1728.2","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H68 Cl10 N12 O4 Zn -","- C60 H68 Cl10 N12 O4 Zn -","- C60 H68 Cl10 N12 O4 Zn -","1","0.5","","Li, Jie; Yan, Biao; Li, Hongya","Crystal structure of dichlorido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ1 N)zinc(II), C60H68O4N12Cl10Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1121","1123","10.1515/ncrs-2022-0384","","","0.71073","MoKα","","0.1054","0.0615","","","0.1449","0.1709","","","","","","0.952","","","","has coordinates","284402","2023-06-08","07:43:59",""
"8107311","10.8914","0.0004","4.6335","0.0002","18.4554","0.0008","90","","97.278","0.002","90","","923.85","0.07","225","2","224.97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","","Gao, Dongmei; Zuo, Zhenyu","The crystal structure of 4-(2-bromoethoxy)-2-hydroxybenzaldehyde, C9H9BrO3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1125","1126","10.1515/ncrs-2022-0393","","","0.71073","MoKα","","0.0559","0.0385","","","0.083","0.0902","","","","","","1.031","","","","has coordinates","284403","2023-06-08","07:48:07",""
"8107312","11.633","0.003","8.899","0.003","6.7638","0.0018","90","","105.216","0.012","90","","675.7","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C16 H16 N24 O8 -","4","1","","Huipeng, Zhao; Pengbao, Lian; Cai, Cao; LiZhen, Chen; Jianlong, Wang","The crystal structure of 5-azido-1-methyl-4-nitroimidazole, C4H4O2N6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1127","1128","10.1515/ncrs-2022-0385","","","0.71073","MoKα","","0.101","0.0607","","","0.1388","0.1617","","","","","","1.075","","","","has coordinates","284404","2023-06-08","07:51:47",""
"8107313","9.0149","0.0013","13.671","0.002","15.168","0.002","92.28","0.003","97.441","0.002","107.862","0.002","1758","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H68 Br2 Cl8 N12 O4 Zn -","- C60 H68 Br2 Cl8 N12 O4 Zn -","- C60 H68 Br2 Cl8 N12 O4 Zn -","1","0.5","","Li, Jie; Yan, Biao; Li, Hongya","Crystal structure of dibromido-tetra((E)-(RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol-κ 1 N)zinc(II), C60H68O4N12Br2Cl8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1129","1131","10.1515/ncrs-2022-0409","","","0.71073","MoKα","","0.0713","0.0417","","","0.0897","0.1005","","","","","","1.02","","","","has coordinates","284405","2023-06-08","07:54:47",""
"8107314","6.6154","0.0006","7.8572","0.0008","9.3588","0.0011","95.257","0.009","90.753","0.009","113.426","0.01","443.83","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- F6 Mo2 Na4 O4 -","- F6 Mo2 Na4 O4 -","- F12 Mo4 Na8 O8 -","2","1","","Wu-Hua, Chen; Zhu-Sen, Zhang; Ze-Hai, Qiu; Li-Ting, Wen; Hong, Xu","Crystal structure of tetrasodium-bis(μ 2-oxido)-hexafluoro-didioxo-molybdenum(V), Na2(Mo2O4F6)","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1133","1134","10.1515/ncrs-2022-0410","","","0.71073","MoKα","","0.0491","0.0431","","","0.1094","0.1125","","","","","","1.154","","","","has coordinates","284406","2023-06-08","08:10:52",""
"8107315","13.257","0.005","16.161","0.004","13.262","0.003","90","","97.47","0.03","90","","2817.2","1.4","300","","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Liu, Kun; Han, Qiang; Zhao, Kai-Hui; Zhong, Qi-Di; Zhang, Zhi-Fei","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1135","1136","10.1515/ncrs-2022-0246","","x-ray","0.71073","MoKα","","0.1155","0.0578","","","0.1379","0.1714","","","","","","0.982","","","","has coordinates","284407","2023-06-08","08:15:08",""
"8107316","5.8776","0.001","7.6503","0.0013","36.447","0.006","90","","90","","90","","1638.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Jin, Kun-Sheng; Wu, Wei-Na","Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinolin-2-yl)methanimine, C20H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1137","1138","10.1515/ncrs-2022-0222","","","0.71073","MoKα","","0.0536","0.0374","","","0.0866","0.095","","","","","","1.026","","","","has coordinates","284408","2023-06-08","08:32:49",""
"8107317","8.6308","0.0006","10.518","0.0006","18.6325","0.0011","90","","102.21","0.006","90","","1653.17","0.18","249.99","0.1","249.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H12 Cd N2 O5 -","- C20 H12 Cd N2 O5 -","- C80 H48 Cd4 N8 O20 -","4","1","","Zhao, Qiang; Chen, Xinyu; Huang, Guang","The crystal structure of catena-poly[(1,10-phenanthroline-κ2 N,N′)-(μ3-2-hydroxybenzene-1,3-dicarboxylato-κ5 O,O′:O″,O‴:O‴)cadmium(II)], C20H12CdN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1139","1141","10.1515/ncrs-2022-0389","","x-ray","0.71073","MoKα","","0.0509","0.0374","","","0.0778","0.0856","","","","","","1.048","","","","has coordinates","284409","2023-06-08","08:35:50",""
"8107318","6.7729","0.0003","17.3973","0.0006","16.6277","0.0006","90","","92.38","0.003","90","","1957.55","0.13","89.9","0.3","89.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O S -","- C22 H28 O S -","- C88 H112 O4 S4 -","4","1","","Bai, Xiaofan; Zhang, Ziwen; Guo, Wei; Zhang, Yongkang; Zhang, Liqiang; Liu, Huihui; Wu, Haixia; Li, Yong","The crystal structure of 2,6-di-tert-butyl-4-(4-(methylthio)benzylidene)cyclohexa-2,5-dien-1-one, C22H28OS","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1143","1145","10.1515/ncrs-2022-0442","","x-ray","0.71073","MoKα","","0.0516","0.0412","","","0.0957","0.1003","","","","","","1.03","","","","has coordinates","284410","2023-06-08","08:38:54",""
"8107319","10.3895","0.0002","10.3895","0.0002","10.2547","0.0003","90","","90","","120","","958.61","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- La0.12 Mg Sb0.04 -","- La0.121667 Mg Sb0.03568 -","- La3.65 Mg30 Sb1.0704 -","30","1.25","","Nytka, Vitalii; Kordan, Vasyl; Pavlyuk, Volodymyr","La3.65Mg30Sb1.07 as a disordered derivative of Th2Ni17-type structure","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1147","1149","10.1515/ncrs-2022-0411","","","0.71073","MoKα","","0.0227","0.0166","","","0.0429","0.0484","","","","","","1.241","","","","has coordinates","284411","2023-06-08","08:41:55",""
"8107320","9.7995","0.0009","10.0627","0.001","32.49","0.003","90","","96.18","0.002","90","","3185.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C152 H144 N32 O8 -","8","2","","Jing, Pan; Yin, Yue-Hong; Zong, Hai-Tao","Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinoxalin-2-yl)methanimine, C19H18N4O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1151","1153","10.1515/ncrs-2022-0118","","","0.71073","MoKα","","0.0835","0.0502","","","0.1378","0.1597","","","","","","1.05","","","","has coordinates","284412","2023-06-08","08:45:38",""
"8107321","8.1005","0.0002","9.8627","0.0003","12.5984","0.0003","78.038","0.002","84.829","0.0019","73.203","0.002","942.16","0.04","95","0.2","95","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Br2 N4 S2 -","- C14 H24 Br2 N4 S2 -","- C28 H48 Br4 N8 S4 -","2","1","","Eigner, Václav","The crystal structure of 2,2′-(1,2-phenylenebis(methylene))bis(1,3-dimethylisothiouronium) bromide, C14H24Br2N4S2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1155","1157","10.1515/ncrs-2022-0443","","x-ray","1.54184","CuKα","","0.0173","0.0162","","","0.0478","0.0486","","","","1.4522","1.4522","1.4433","","","","has coordinates","284413","2023-06-08","08:58:16",""
"8107322","6.183","0.0005","7.0301","0.0006","12.1369","0.0011","80.665","0.001","87.976","0.002","72.051","0.001","495.17","0.07","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N6 O8 Zn -","- C18 H20 N6 O8 Zn -","- C18 H20 N6 O8 Zn -","1","0.5","","Du, Yu-Chang; Li, Yan; Xiong, Chen; Li, Bin; Wei, Hao","Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N]zinc(II), C18H20ZnN6O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1159","1160","10.1515/ncrs-2022-0429","","x-ray","0.71073","MoKα","","0.0664","0.0495","","","0.1148","0.1243","","","","","","1.059","","","","has coordinates","284417","2023-06-09","06:20:50",""
"8107323","10.801","0.002","13.24","0.003","15.545","0.003","90","","90","","90","","2223","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Fe2 N O10 S -","- C15 H15 Fe2 N O10 S -","- C60 H60 Fe8 N4 O40 S4 -","4","1","","Xia, Yu-Pei","Crystal structure of bis(tricarbonyl)-{(S)-(tert-butoxycarbonyl)(1-methoxy-1-oxo-3-sulfido-k2 S:S′-propan-2-yl)amido-k2N:N′}diiron(I) (Fe—Fe), C15H15Fe2NO10S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1161","1162","10.1515/ncrs-2022-0435","","","0.71073","MoKα","","0.0374","0.0321","","","0.0783","0.0814","","","","","","1.065","","","","has coordinates","284418","2023-06-09","06:27:16",""
"8107324","5.7516","0.0007","7.4097","0.0012","27.461","0.003","90","","90","","90","","1170.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 S -","- C11 H11 Cl O2 S -","- C44 H44 Cl4 O8 S4 -","4","1","","Yuan, Fei; Guo, Ya-Fei; Ma, Jun-Ying; Guo, Ke-Wen; Xu, Zhi-Cong","Crystal structure of (E)-3-((4-chlorophenyl)thio)-4-hydroxypent-3-en-2-one, C11H11ClO2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1163","1165","10.1515/ncrs-2022-0465","","x-ray","0.71073","MoKα","","0.0825","0.0564","","","0.0877","0.099","","","","","","1.047","","","","has coordinates","284419","2023-06-09","06:30:48",""
"8107325","11.8558","0.0012","12.1159","0.0011","24.014","0.002","90","","94.812","0.002","90","","3437.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 N5 O3 -","- C39 H45 N5 O3 -","- C156 H180 N20 O12 -","4","1","","Zhou, Ji; Yuan, Shuhao; Yan, Shiyu; Tang, Qingyuan; Mao, Han; He, Qian; Cui, Ying","The crystal structure of (E)-3′,6′-bis(diethylamino)-2-((5-(diethylamino)-2-hydroxybenzylidene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C39H45N5O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1167","1170","10.1515/ncrs-2022-0449","","","0.71073","MoKα","","0.1146","0.0574","","","0.1513","0.1725","","","","","","1.057","","","","has coordinates,has disorder","284420","2023-06-09","06:34:40",""
"8107326","8.3085","0.001","8.3918","0.0008","12.1359","0.0014","91.691","0.005","107.708","0.005","113.607","0.005","727.42","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O3 -","- C20 H14 O3 -","- C40 H28 O6 -","2","1","","Shin, Soon Young; Lee, Ha-Jin; Sung, Jiha; Koh, Dongsoo","The crystal structure of 2-(4-methoxynaphthalen-1-yl)-4H-chromen-4-one, C20H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1171","1173","10.1515/ncrs-2022-0446","","","0.71073","MoKα","","0.0757","0.0471","","","0.1104","0.1235","","","","","","1.041","","","","has coordinates","284421","2023-06-09","06:40:10",""
"8107327","10.8827","0.0003","30.6226","0.0007","20.2089","0.0004","90","","93.856","0.001","90","","6719.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Cl2 N2 P2 Ru -","- C38 H38 Cl2 N2 P2 Ru -","- C304 H304 Cl16 N16 P16 Ru8 -","8","2","","Ndlangamandla, Nqobile G.; Clayton, Hadley S.","The crystal structure of trans-dichlorido-(ethylenediamine-κ 2 N,N′)-bis(triphenylphosphine-κ 1 P)ruthenium(II), C38H38Cl2N2P2Ru","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1175","1179","10.1515/ncrs-2022-0448","","x-ray","0.71073","MoKα","","0.0348","0.0306","","","0.0622","0.0636","","","","","","1.152","","","","has coordinates","284422","2023-06-09","06:45:19",""
"8107328","11.1134","0.0004","16.1731","0.0006","13.7057","0.0005","90","","105.363","0.004","90","","2375.41","0.16","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Br2 Co N4 O4 -","- C24 H16 Br2 Co N4 O4 -","- C96 H64 Br8 Co4 N16 O16 -","4","1","","Sokol, Vesna; Brajica, Lara; Mišura, Ozana; Đaković, Marijana; Paut, Andrea; Prkić, Ante; Kukovec, Boris-Marko","The double polymeric chain of catena-poly[(μ2-6-bromopyridine-3-carboxylato-κ2 O,O′) (6-bromopyridine-3-carboxylato-κ2 O,O′) (μ2-1,2-bis(4-pyridyl)ethylene-κ2 N:N′)cobalt(II)], C24H16CoBr2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1181","1183","10.1515/ncrs-2022-0460","","","0.71073","MoKα","","0.1127","0.0588","","","0.0978","0.1101","","","","","","1.033","","","","has coordinates,has disorder","284423","2023-06-09","06:48:40",""
"8107329","11.01","0.01","13.227","0.012","16.458","0.014","90","","90","","90","","2397","4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl 2-(4-(12-bromo [2.2] Paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Zhen, Chen; Yanwen, Sun; Yingying, Meng","The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1185","1187","10.1515/ncrs-2022-0458","","","0.71073","MoKα","","0.0713","0.0367","","","0.0695","0.0775","","","","","","1","","","","has coordinates,has disorder","284424","2023-06-09","06:52:46",""
"8107330","13.531","0.006","8.39","0.003","14.288","0.005","90","","95.322","0.015","90","","1615.1","1.1","243","2","243","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","","Shin, Soon Young; Ahn, Seunghyun; Koh, Dongsoo","The crystal structure of (Z)-2-(2,3-dimethoxybenzylidene)naphtho[1,2-b]furan-3(2H)-one, C21H16O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1189","1191","10.1515/ncrs-2022-0454","","","0.71073","MoKα","","0.0784","0.0588","","","0.1607","0.1795","","","","","","1.039","","","","has coordinates","284425","2023-06-09","06:56:26",""
"8107331","7.623","0.003","25.617","0.012","11.775","0.005","90","","100.073","0.008","90","","2264","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O5 S -","- C26 H21 N O5 S -","- C104 H84 N4 O20 S4 -","4","1","","Zhang, Zhenguo; Yuan, Changchun; Xun, Miao-Miao; Fu, Kai","Crystal structure of 2-hydroxy-1-tosylindolin-3-yl- 2-naphthoate, C26H21N1S1O5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1193","1194","10.1515/ncrs-2022-0452","","","0.71073","MoKα","","0.0645","0.047","","","0.125","0.1365","","","","","","1.012","","","","has coordinates","284426","2023-06-09","07:14:08",""
"8107332","22.6173","0.0013","4.873","0.0003","9.9921","0.0005","90","","90","","90","","1101.27","0.11","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H11 N5 O2 -","- C10 H11 N5 O2 -","- C40 H44 N20 O8 -","4","1","","Nie, Jing; Jiahui, Mou; Wenxiang, Wang","The crystal structure of 1-methyl-N-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole-2-carboxamide, C10H11N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1195","1196","10.1515/ncrs-2022-0461","","","0.71073","MoKα","","0.0713","0.044","","","0.0869","0.0999","","","","","","1.091","","","","has coordinates","284427","2023-06-09","07:17:39",""
"8107333","9.3451","0.0007","17.3057","0.0013","18.4402","0.0013","90","","98.447","0.001","90","","2949.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Br N4 O3 -","- C33 H31 Br N4 O3 -","- C132 H124 Br4 N16 O12 -","4","1","","Xiao, Zhenxiu; Wu, Li; Su, Yizi; Jiang, Wujiu","The crystal structure of (E)-2-((5-bromo-2-hydroxybenzylidene)amino)-3′,6′-bis(ethylamino)-2′, 7′-dimethylspiro[isoindoline-1,9′-xanthen]-3-one, C33H31BrN4O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1197","1199","10.1515/ncrs-2022-0432","","","0.71073","MoKα","","0.0708","0.0409","","","0.1025","0.1106","","","","","","1.066","","","","has coordinates,has disorder","284428","2023-06-09","07:21:45",""
"8107334","7.4922","0.0011","8.3435","0.0012","12.1563","0.0018","75.207","0.002","81.618","0.002","78.579","0.002","716.53","0.18","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C28 H36 N4 O12 -","2","1","","Zhou, Qiang; Ou, Guang-Chuan","Crystal structure of 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3,5-dicarboxybenzoate), C28H36N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1205","1206","10.1515/ncrs-2022-0445","","","0.71073","MoKα","","0.0529","0.0461","","","0.1268","0.1335","","","","","","1.084","","","","has coordinates","284429","2023-06-09","07:28:39",""
"8107335","9.794","0.0003","5.3497","0.0001","20.5119","0.0005","90","","101.673","0.003","90","","1052.49","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 N4 -","- C22 H10 F4 I2 N4 -","- C44 H20 F8 I4 N8 -","2","0.5","","Wang, Yan; Xu, Shun","Bifurcated halogen bonds in the crystal structure of 2,2′-bi(1,8-naphthyridine)—1,4-diiodotetrafluorobenzene (1/1), C22H10F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1207","1209","10.1515/ncrs-2022-0427","","x-ray","0.71073","MoKα","","0.026","0.0222","","","0.0487","0.0505","","","","","","1.094","","","","has coordinates","284430","2023-06-09","07:32:23",""