# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:58:29+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Nature Communications') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1509247","28.8921","0.0017","9.781","0.0006","12.2102","0.0007","90","","105.762","0.003","90","","3320.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","18-crown-6-KCl-iodoperfluorobutane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,1-Iodononafluorobutane","","- C20 H24 Cl F18 I2 K O6 -","- C20 H24 Cl F18 I2 K O6 -","- C80 H96 Cl4 F72 I8 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0265","0.0184","","","0.0395","0.0436","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509248","27.7056","0.0015","9.6249","0.0005","12.2412","0.0006","90","","101.759","0.002","90","","3195.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","18-crown-6-KI-iodoperfluoropropane","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumiodide, 1-Iodoheptafluoropropane","","- C18 H24 F14 I3 K O6 -","- C18 H24 F14 I3 K O6 -","- C72 H96 F56 I12 K4 O24 -","4","0.5","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0429","0.0299","","","0.0649","0.0736","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509249","9.782","0.0005","14.983","0.0006","12.1152","0.0006","90","","92.886","0.002","90","","1773.4","0.14","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","18-crown-6-KCl-dihydrate","1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate","","- C12 H28 Cl K O8 -","- C12 H26 Cl K O8 -","- C48 H104 Cl4 K4 O32 -","4","1","","Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan","Transmembrane anion transport mediated by halogen-bond donors.","Nature Communications","2012","3","","905","","10.1038/ncomms1902","","","0.71073","MoKα","","0.0736","0.0514","","","0.1332","0.144","","","","","","1.065","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1513791","23.9712","0.0005","10.7966","0.0003","25.4621","0.0005","90","","95.78","0.002","90","","6556.3","0.3","142.9","","142.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl6 O4 Os P3 S -","- C70 H66 Cl6 O4 Os P3 S -","- C280 H264 Cl24 O16 Os4 P12 S4 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0439","0.0325","","","0.0668","0.0705","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513792","18.4337","0.0003","19.2879","0.0003","20.2958","0.0004","90","","97.813","0.001","90","","7149.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C258 H228 Al8 Cl48 O12 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0585","0.0478","","","0.1448","0.151","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513793","12.6439","0.0002","21.0196","0.0004","21.9093","0.0004","90","","96.0021","0.0007","90","","5790.91","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl3 O5 Os P3 -","- C66 H58 Cl3 O5 Os P3 -","- C264 H232 Cl12 O20 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0401","0.0338","","","0.0855","0.0881","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513796","19.1914","0.001","10.6017","0.0005","23.3513","0.0012","90","","90","","90","","4751.1","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","2","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.033","0.0282","","","0.0636","0.0664","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513797","9.6564","0.0003","11.3871","0.0004","12.9349","0.0004","72.1","","81.25","","79.77","","1324.69","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 F5 Si3 -","- C25 H33 F5 Si3 -","- C50 H66 F10 Si6 -","2","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0331","0.0294","","","0.0777","0.0804","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513798","5.6548","0.0014","27.587","0.007","8.526","0.002","90","","95.291","0.005","90","","1324.4","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0387","0.0344","","","0.0895","0.0921","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513799","4.9116","0.0006","8.8528","0.0014","13.96","0.0017","105.332","0.006","93.529","0.004","91.847","0.003","583.54","0.14","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C22 H26 N10 O10 -","2","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0732","0.0515","","","0.1172","0.1289","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1546291","13.7002","0.0002","13.7002","0.0002","19.4438","0.0004","90","","90","","90","","3649.51","0.11","","","","","","","","","","","","4","I 41/a","-I 4ad","88","silica clathrate sII","","chibaite","- Al0.024 Na0.015 O4 Si1.978 -","- C0.277647 O2 T -","- C18.88 O136 T68 -","68","","","Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.","New silica clathrate minerals that are isostructural with natural gas hydrates","Nature Communications","2011","2","","1","7","10.1138/ncomms1196","","","","","","","","","","","","","","","","","","","","","has coordinates","197736","2020-10-21","18:00:00",""
"1547320","17.934","0.008","36.37","0.02","13.179","0.008","90","","120.82","0.03","90","","7382","7","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C312 H264 Cu12 N48 O72 Se12 -","12","3","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.1294","0.0894","","","0.2069","0.2324","","","","","","1.2","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547321","17.86","0.03","12.16","0.03","13.17","0.03","90","","120.79","0.03","90","","2457","9","303","2","303","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N4 O6 Se -","- C26 H22 Cu N4 O6 Se -","- C104 H88 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0953","0.0697","","","0.162","0.1735","","","","","","1.059","","","","has coordinates","201235","2020-10-21","18:00:00",""
"1547322","17.924","0.013","12.236","0.013","13.253","0.015","90","","120.69","0.03","90","","2500","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18 -","- C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818 -","- C104 H88 Cu4 N16 O24 Se4 -","22","2.75","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0616","0.0492","","","0.1206","0.1281","","","","","","1.115","","","","has coordinates","201236","2020-10-21","18:00:00",""
"1547323","17.434","0.019","13.149","0.012","13.184","0.014","90","","123.634","0.01","90","","2516","4","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0458","0.0392","","","0.1007","0.1078","","","","","","1.101","","","","has coordinates,has disorder","201237","2020-10-21","18:00:00",""
"1547324","17.58","0.019","13.218","0.013","13.269","0.015","90","","123.34","0.013","90","","2576","5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.058","0.0509","","","0.1251","0.1337","","","","","","1.067","","","","has coordinates,has disorder","201238","2020-10-21","18:00:00",""
"1547326","17.515","0.02","13.237","0.012","13.262","0.015","90","","123.415","0.013","90","","2566","5","243","2","243","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0704","0.0536","","","0.1277","0.1438","","","","","","1.004","","","","has coordinates,has disorder","201240","2020-10-21","18:00:00",""
"1547328","17.582","0.008","13.248","0.008","13.324","0.005","90","","123.38","0.04","90","","2592","2","333","2","333","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0455","0.0391","","","0.0908","0.0955","","","","","","1.046","","","","has coordinates,has disorder","201242","2020-10-21","18:00:00",""
"1547329","17.723","0.009","12.711","0.006","13.471","0.007","90","","123.186","0.008","90","","2540","2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.047","0.0433","","","0.0907","0.0936","","","","","","1.051","","","","has coordinates","201243","2020-10-21","18:00:00",""
"1547330","17.794","0.008","12.662","0.008","13.644","0.011","90","","123.19","0.02","90","","2573","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","0.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0472","0.0411","","","0.0939","0.0969","","","","","","1.115","","","","has coordinates,has disorder","201244","2020-10-21","18:00:00",""
"1547331","17.551","0.018","13.247","0.011","13.266","0.013","90","","123.367","0.012","90","","2576","4","253","2","253","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H24 Cu N4 O6 Se -","- C27 H24 Cu N4 O6 Se -","- C108 H96 Cu4 N16 O24 Se4 -","4","1","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0622","0.05","","","0.126","0.1377","","","","","","1.05","","","","has coordinates,has disorder","201245","2020-10-21","18:00:00",""
"1547332","17.551","0.006","13.239","0.006","13.305","0.005","90","","123.3","0.03","90","","2584","2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H16 Cu0.67 N2.67 O4 Se0.67 -","- C18 H16 Cu0.666667 N2.66667 O4 Se0.666667 -","- C108 H96 Cu4 N16 O24 Se4 -","6","1.5","","Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong","Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems","Nature Communications","2017","8","","14551","","10.1038/ncomms14551","","","0.71073","MoKα","","0.0554","0.0465","","","0.1181","0.1264","","","","","","1.025","","","","has coordinates,has disorder","201246","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","201508","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547689","33.081","0.005","33.081","0.005","15.832","0.003","90","","90","","90","","17326","5","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H16 F8 O12 P4 Zr3 -","- C25 H16 F8 O12 P4 Zr3 -","- C200 H128 F64 O96 P32 Zr24 -","8","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0994","0.0674","","","0.2165","0.2456","","","","","","0.973","","","","has coordinates","202052","2020-10-21","18:00:00",""
"1547690","16.9609","0.0013","26.425","0.002","16.9629","0.0013","90","","117.718","0.002","90","","6730.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H48 F18 O24 P8 Zr7 -","- C68 H48 F18 O24 P8 Zr7 -","- C136 H96 F36 O48 P16 Zr14 -","2","0.5","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1317","0.1085","","","0.3076","0.3315","","","","","","1.053","","","","has coordinates","202053","2020-10-21","18:00:00",""
"1547691","24.905","0.003","24.905","0.003","7.5896","0.001","90","","90","","90","","4707.5","1","223","2","223","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C41 O14 P4 -","- C41 O16 P4 -","- C164 O64 P16 -","4","","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0989","0.0763","","","0.2121","0.2332","","","","","","1.059","","","","has coordinates,has disorder","202054","2020-10-21","18:00:00",""
"1547692","13.2646","0.0007","13.2646","0.0007","7.5238","0.0005","90","","90","","90","","1323.81","0.13","273","2","273","2","","","","","","","","4","I -4","I -4","82","","","","- C25 H24 O12 P4 -","- C25 H24 O12 P4 -","- C50 H48 O24 P8 -","2","0.25","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.0516","0.0432","","","0.1028","0.1218","","","","","","1.075","","","","has coordinates","202055","2020-10-21","18:00:00",""
"1547693","21.7593","0.0011","33.6872","0.0016","28.3246","0.0014","90","","92.856","0.003","90","","20736.4","1.8","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C212 H181 N8 O34 Pd2 S16 -","- C212 H181 N8 O34 Pd2 S16 -","- C848 H724 N32 O136 Pd8 S64 -","4","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","1.54178","CuKα","","0.1955","0.1355","","","0.3575","0.4022","","","","","","1.334","","","","has coordinates","202056","2020-10-21","18:00:00",""
"1547694","21.297","0.002","21.48","0.002","27.276","0.003","70.017","0.001","69.062","0.001","61.468","0.001","10013.5","1.7","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C212 H184 N12 O46 Pd2 S12 -","- C212 H184 N12 O46 Pd2 S12 -","- C424 H368 N24 O92 Pd4 S24 -","2","1","","Sho Matsuno; Masahiro Yamashina; Yoshihisa Sei; Munetaka Akita; Akiyoshi Kuzume; Kimihisa Yamamoto; Michito Yoshizawa","Exact mass analysis of sulfur clusters upon encapsulation by a polyaromatic capsular matrix","Nature Communications","2017","8","","749","","10.1038/s41467-017-00605-5","","","0.71073","MoKα","","0.1988","0.1346","","","0.3689","0.4282","","","","","","1.06","","","","has coordinates,has disorder","202057","2020-10-21","18:00:00",""
"1547708","9.099","0.009","6.059","0.006","9.24","0.009","90","","90","","90","","509.4","0.9","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C7 H14 I N O4 -","- C7 H12 I N O4 -","- C14 H24 I2 N2 O8 -","2","0.5","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.0392","0.0362","","","0.0683","0.0698","","","","","","1.144","","","","has coordinates","202105","2020-10-21","18:00:00",""
"1547709","6.437","0.008","6.437","0.008","6.437","0.008","90","","90","","90","","266.7","0.6","338","2","338","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 I N O4 -","- C7.9992 I O4 -","- C7.9992 I O4 -","1","0.0208333","","Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong","Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions","Nature Communications","2017","8","","14934","","10.1038/ncomms14934","","","0.71073","MoKα","","0.1468","0.145","","","0.3081","0.3087","","","","","","1.402","","","","has coordinates","202106","2020-10-21","18:00:00",""
"1547718","25.016","0.003","9.6759","0.0012","27.415","0.003","90","","116.342","0.002","90","","5946.8","1.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0809","0.0592","","","0.1651","0.1802","","","","","","1.088","","","","has coordinates","202115","2020-10-21","18:00:00",""
"1547719","25.0155","0.0017","9.6927","0.0007","27.3884","0.0018","90","","116.251","0.0011","90","","5955.9","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H125 N17 O31 Zn4 -","- C120 H104 N17 O31 Zn4 -","- C240 H208 N34 O62 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0551","0.0491","","","0.1726","0.1792","","","","","","1.064","","","","has coordinates","202116","2020-10-21","18:00:00",""
"1547720","25.9658","0.0015","9.0558","0.0005","27.369","0.0015","90","","117.686","0.0009","90","","5698.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H115 N13 O29 Zn4 -","- C115 H108 N13 O29 Zn4 -","- C230 H216 N26 O58 Zn8 -","2","0.25","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0627","0.0513","","","0.2017","0.2161","","","","","","1.033","","","","has coordinates","202117","2020-10-21","18:00:00",""
"1547721","24.9168","0.0019","9.6298","0.0007","27.373","0.003","90","","116.294","0.0013","90","","5888.4","0.9","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C125 H134 N16 O33 Zn4 -","- C125 H104 N16 O33 Zn4 -","- C250 H208 N32 O66 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0495","0.0457","","","0.1463","0.1509","","","","","","1.01","","","","has coordinates,has disorder","202118","2020-10-21","18:00:00",""
"1547722","24.9012","0.0017","9.6416","0.0006","27.3223","0.0018","90","","116.379","0.001","90","","5876.7","0.7","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C128 H140 N16 O32 Zn4 -","- C128 H104 N16 O32 Zn4 -","- C256 H208 N32 O64 Zn8 -","2","0.5","","Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan","Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization","Nature Communications","2017","8","","361","","10.1038/s41467-017-00416-8","","","0.71073","MoKα","","0.0429","0.0406","","","0.1182","0.1198","","","","","","1.054","","","","has coordinates,has disorder","202119","2020-10-21","18:00:00",""
"1547723","38.0759","0.0015","12.6702","0.0005","7.9552","0.0003","90","","101.488","0.007","90","","3760.9","0.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","1.54187","CuKα","","0.0766","0.058","","","0.1371","0.1475","","","","","","1.031","","","","has coordinates","202120","2020-10-21","18:00:00",""
"1547724","37.63","0.013","6.3613","0.0019","16.724","0.006","90","","111.123","0.005","90","","3734","2","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Akitoshi Shiotari; Takahiro Nakae; Kota Iwata; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Hiroshi Sakaguchi; Yoshiaki Sugimoto","Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface","Nature Communications","2017","8","","16089","","10.1038/ncomms16089","","","0.71075","MoKα","","0.0983","0.0702","","","0.1975","0.2263","","","","","","1.117","","","","has coordinates","202121","2020-10-21","18:00:00",""
"1547743","13.642","0.0011","11.1624","0.0009","21.3653","0.0016","90","","95.271","0.002","90","","3239.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N4 Ni -","- C30 H18 N4 Ni -","- C180 H108 N24 Ni6 -","6","1.5","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.71073","MoKα","","0.0675","0.0508","","","0.1289","0.1386","","","","","","1.034","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547744","24.768","0.0002","13.8476","0.0001","33.0065","0.0003","90","","99.5763","0.0004","90","","11162.7","0.16","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cl6 N8 Ni2 S2 -","- C66 H42 Cl6 N8 Ni2 S2 -","- C528 H336 Cl48 N64 Ni16 S16 -","8","1","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.8","synchrotron","","0.0748","0.0719","","","0.2003","0.2032","","","","","","1.067","","","","has coordinates,has disorder","202173","2020-10-21","18:00:00",""
"1547745","10.3437","0.0012","11.1763","0.0015","19.446","0.002","87.24","0.004","79.489","0.005","88.855","0.004","2207.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1222","0.0597","","","0.1632","0.2144","","","","","","0.985","","","","has coordinates","202174","2020-10-21","18:00:00",""
"1547746","10.343","0.0006","11.1816","0.0008","19.4313","0.0013","87.281","0.002","79.707","0.002","88.818","0.002","2208.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1274","0.0625","","","0.1724","0.224","","","","","","0.994","","","","has coordinates","202175","2020-10-21","18:00:00",""
"1547747","10.3504","0.0007","11.1958","0.0009","19.4394","0.0014","87.289","0.003","79.822","0.003","88.798","0.002","2214.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1344","0.0658","","","0.1863","0.2398","","","","","","0.986","","","","has coordinates","202176","2020-10-21","18:00:00",""
"1547748","10.3258","0.0004","11.1596","0.0004","19.3998","0.0008","87.2796","0.001","79.5728","0.0009","88.8537","0.001","2195.93","0.15","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0708","0.0517","","","0.1334","0.1486","","","","","","1.04","","","","has coordinates","202177","2020-10-21","18:00:00",""
"1547749","10.3579","0.0009","11.21","0.0012","19.4479","0.0018","87.293","0.003","79.94","0.004","88.772","0.003","2220.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1369","0.0646","","","0.1792","0.2375","","","","","","0.982","","","","has coordinates","202178","2020-10-21","18:00:00",""
"1547750","10.3393","0.0004","11.1764","0.0004","19.3966","0.0008","87.3043","0.001","79.8391","0.0009","88.8264","0.0009","2203.63","0.15","318","2","318","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0739","0.0527","","","0.1381","0.155","","","","","","1.042","","","","has coordinates","202179","2020-10-21","18:00:00",""
"1547751","10.3662","0.0012","11.2263","0.0015","19.458","0.002","87.294","0.004","80.055","0.005","88.745","0.004","2227.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1418","0.0661","","","0.1848","0.2432","","","","","","0.968","","","","has coordinates","202180","2020-10-21","18:00:00",""
"1547752","10.3758","0.0015","11.2462","0.0019","19.467","0.003","87.299","0.006","80.198","0.006","88.715","0.005","2235.7","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1445","0.0653","","","0.1765","0.2374","","","","","","0.964","","","","has coordinates","202181","2020-10-21","18:00:00",""
"1547753","10.3528","0.0005","11.195","0.0005","19.3916","0.0008","87.3094","0.001","80.1334","0.0009","88.7511","0.001","2211.58","0.17","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0777","0.054","","","0.1407","0.1583","","","","","","1.041","","","","has coordinates","202182","2020-10-21","18:00:00",""
"1547754","10.3815","0.0018","11.262","0.002","19.473","0.004","87.298","0.007","80.314","0.007","88.684","0.006","2241.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1453","0.0648","","","0.18","0.2456","","","","","","0.958","","","","has coordinates","202183","2020-10-21","18:00:00",""
"1547755","10.3843","0.0006","11.2809","0.0006","19.3678","0.0011","87.3201","0.0013","81.11","0.0012","88.5831","0.0013","2238.8","0.2","378","2","378","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0948","0.0585","","","0.1536","0.1804","","","","","","1.025","","","","has coordinates","202184","2020-10-21","18:00:00",""
"1547756","10.391","0.002","11.288","0.003","19.483","0.004","87.29","0.008","80.485","0.009","88.65","0.008","2251","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1561","0.0658","","","0.1825","0.2536","","","","","","0.945","","","","has coordinates","202185","2020-10-21","18:00:00",""
"1547757","10.3641","0.0005","11.2179","0.0005","19.3874","0.0008","87.325","0.001","80.4216","0.0009","88.7095","0.001","2219.95","0.17","348","2","348","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0825","0.0558","","","0.1447","0.1642","","","","","","1.045","","","","has coordinates","202186","2020-10-21","18:00:00",""
"1547758","10.3728","0.0006","11.2401","0.0006","19.3827","0.001","87.3342","0.0013","80.6721","0.0012","88.6789","0.0012","2227.3","0.2","360","2","360","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0883","0.0565","","","0.1511","0.1748","","","","","","1.047","","","","has coordinates","202187","2020-10-21","18:00:00",""
"1547759","7.51","","7.51","","7.51","","90","","90","","90","","423.565","","293","","293","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Cu0.25 Te0.1667 -","- Cu0.25 Te0.166667 -","- Cu12 Te8 -","48","1","","Tom Willhammar; Kadir Sentosun; Stefanos Mourdikoudis; Bart Goris; Mert Kurttepeli; Marnik Bercx; Dirk Lamoen; Bart Partoens; Isabel Pastoriza-Santos; Jorge Perez-Juste; Luis M. Liz-Marzan; Sara Bals; Gustaaf Van Tendeloo","Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared","Nature Communications","2017","8","","14925","","10.1038/ncomms14925","","","0.0251","electron","","0.129","0.129","","0.125","0.125","","","","1.598","1.598","1.598","","","","","has coordinates","202189","2020-10-21","18:00:00",""
"1547886","18.6841","0.0007","18.6841","0.0007","34.6796","0.0017","90","","90","","90","","12106.5","0.9","120.03","0.1","120.03","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","MFM-188","","","- C92 H173 Cu4 N9 O49 S6 -","- C48 H30 Cu4 N4 O24 -","- C192 H120 Cu16 N16 O96 -","4","0.25","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","","x-ray","1.54184","CuKα","","0.1305","0.0855","","","0.2263","0.2746","","","","","","0.915","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1547887","18.7721","0.0004","18.7721","0.0004","34.7704","0.0014","90","","90","","90","","12252.8","0.6","10","","10","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","MFM-188_empty","- C24 H11 Cu2 N2 O10 -","- C24 H11 Cu2 N2 O10 -","- C192 H88 Cu16 N16 O80 -","8","0.5","","Florian Moreau; Ivan da Silva; Nada H. Al Smail; Timothy L. Easun; Mathew Savage; Harry G. W. Godfrey; Stewart F. Parker; Pascal Manuel; Sihai Yang; Martin Schroder","Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework","Nature Communications","2017","8","","14085","","10.1038/ncomms14085","powder diffraction","","","neutron","","1.13032","","","","","","","","6.49093","","","","","","","has coordinates","202890","2020-10-21","18:00:00",""
"1547888","6.5268","0.0017","11.251","0.003","9.814","0.003","90","","105.271","0.007","90","","695.2","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Lanthanum borate chloride","","","- B4 Cl La O8 -","- B4 Cl La O8 -","- B16 Cl4 La4 O32 -","4","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0111","0.0111","","","0.0286","0.0286","","","","","","1.037","","","","has coordinates","202892","2020-10-21","18:00:00",""
"1547889","8.1867","0.0004","14.5421","0.0007","9.8317","0.0005","90","","90.281","0.002","90","","1170.47","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium borate chloride","","","- B12 Cl2 Nd2 O29 -","- B12 Cl2 Nd2 O29 -","- B24 Cl4 Nd4 O58 -","2","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0393","0.0322","","","0.0685","0.0706","","","","","","1.148","","","","has coordinates","202893","2020-10-21","18:00:00",""
"1547890","8.7754","0.0017","27.454","0.005","6.8312","0.0012","90","","127.524","0.005","90","","1305.3","0.4","298","2","298","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Samarium borate","","","- B7 O17 Sm -","- B7 O17 Sm -","- B28 O68 Sm4 -","4","0.5","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0403","0.0318","","","0.07","0.0726","","","","","","1.089","","","","has coordinates","202894","2020-10-21","18:00:00",""
"1547891","6.8148","0.0008","7.1444","0.0009","12.7191","0.0015","96.093","0.003","98.513","0.003","101.75","0.003","593.64","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","Europium borate","","","- B7 Eu O16 -","- B7 Eu O16 -","- B14 Eu2 O32 -","2","1","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0241","0.0227","","","0.0595","0.0598","","","","","","1.174","","","","has coordinates","202895","2020-10-21","18:00:00",""
"1547892","17.0783","0.0004","17.0783","0.0004","20.3077","0.0011","90","","90","","120","","5129.6","0.3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","Lutecium borate","","","- B24 Lu4 O49 -","- B24 Lu4 O49 -","- B144 Lu24 O294 -","6","0.333333","","Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","Rare earth separations by selective borate crystallization","Nature Communications","2017","8","","14438","","10.1038/ncomms14438","","","0.71073","MoKα","","0.0573","0.0364","","","0.0573","0.061","","","","","","1.173","","","","has coordinates","202896","2020-10-21","18:00:00",""
"1547893","11.0081","0.001","11.0439","0.0011","20.174","0.002","81.37","0.006","78.531","0.005","80.367","0.006","2352.4","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H72.5 N7 O13.25 -","- C41 H61 N7 O13.25 -","- C82 H122 N14 O26.5 -","2","2","","Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit","A minimal length rigid helical peptide motif allows rational design of modular surfactants","Nature Communications","2017","8","","14018","","10.1038/ncomms14018","","","0.71073","MoKα","","0.0826","0.0556","","","0.1123","0.1266","","","","","","1.028","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1547894","28.535","0.004","28.535","0.004","39.508","0.008","90","","90","","90","","32169","9","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H168 Cu24 O144 S8 -","- C208 H144 Cu24 O144 S8 -","- C416 H288 Cu48 O288 S16 -","2","0.125","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.70001","synchrotron","","0.1089","0.0877","","","0.2814","0.3004","","","","","","1.045","","","","has coordinates","202898","2020-10-21","18:00:00",""
"1547895","39.878","0.005","39.878","0.005","39.878","0.005","90","","90","","90","","63416","14","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1709","0.1486","","","0.3738","0.3923","","","","","","1.258","","","","has coordinates","202899","2020-10-21","18:00:00",""
"1547896","39.954","0.005","39.954","0.005","39.954","0.005","90","","90","","90","","63779","14","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C228 H192 Cu24 N12 O132 -","- C228 H192 Cu24 N12 O132 -","- C912 H768 Cu96 N48 O528 -","4","0.0208333","","Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe","Evolution of form in metal–organic frameworks","Nature Communications","2017","8","","14070","","10.1038/ncomms14070","","","0.71073","MoKα","","0.1203","0.0963","","","0.2864","0.3278","","","","","","1.273","","","","has coordinates","202900","2020-10-21","18:00:00",""
"1547947","13.1207","0.001","15.5348","0.0011","22.321","0.0016","72.773","0.004","77.36","0.004","70.252","0.004","4054.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H91 Cl21 Fe N14 O6 -","- C51 H91 Cl21 Fe N14 O6 -","- C102 H182 Cl42 Fe2 N28 O12 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1641","0.0925","","","0.2475","0.2956","","","","","","1.027","","","","has coordinates,has disorder","203036","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1547949","9.4448","0.0006","12.0118","0.0008","12.3759","0.0008","87.085","0.004","73.158","0.004","84.015","0.004","1336.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H32 Ca Fe N12 O13 -","- C15 H32 Ca Fe N12 O13 -","- C30 H64 Ca2 Fe2 N24 O26 -","2","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1793","0.0745","","","0.1217","0.1589","","","","","","0.926","","","","has coordinates","203038","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","203054","2020-10-21","18:00:00",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547967","16.2122","0.0003","16.2122","0.0003","16.0642","0.0007","90","","90","","120","","3656.57","0.19","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H27 Mg3 N O22 -","- C24 H6 Mg3 O22 -","- C48 H12 Mg6 O44 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0571","","","0.1693","0.1767","","","","","","1.067","","","","has coordinates","288476","2023-12-21","15:26:10",""
"1547968","16.997","0.0004","16.997","0.0004","14.9864","0.0009","90","","90","","120","","3749.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H36 Mg3 N10 O13 -","- C42 H18 Mg3 N9 O13 -","- C84 H36 Mg6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0754","0.067","","","0.2027","0.2102","","","","","","1.091","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547969","17.4162","0.0004","17.4162","0.0004","14.9154","0.0007","90","","90","","120","","3918.1","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mn3 N6 O13 -","- C42 H24 Mn3 N6 O13 -","- C84 H48 Mn6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0423","0.0345","","","0.1005","0.1034","","","","","","1.027","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547970","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 Co3 N9 O13 -","- C42 H18 Co3 N9 O13 -","- C84 H36 Co6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0572","0.05","","","0.1668","0.1719","","","","","","1.004","","","","has coordinates","203059","2020-10-21","18:00:00",""
"1547971","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 N9 O13 Zn3 -","- C42 H18 N9 O13 Zn3 -","- C84 H36 N18 O26 Zn6 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0585","0.0501","","","0.1545","0.1611","","","","","","0.98","","","","has coordinates","203060","2020-10-21","18:00:00",""
"1547972","15.9423","0.0003","15.9423","0.0003","16.0411","0.0007","90","","90","","120","","3530.75","0.18","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H19 Mg2 O22 V -","- C24 H6 Mg2.0001 O22 V0.9999 -","- C48 H12 Mg4.0002 O44 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0743","0.0616","","","0.1823","0.1951","","","","","","1.072","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547973","16.6165","0.001","16.6165","0.001","15.3366","0.0019","90","","90","","120","","3667.2","0.6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mg2 N6 O19 V -","- C42 H18 Mg2.0001 N6 O19 V0.9999 -","- C84 H36 Mg4.0002 N12 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1229","0.1016","","","0.3266","0.3425","","","","","","1.358","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547974","16.9065","0.0005","16.9065","0.0005","14.7154","0.001","90","","90","","120","","3642.6","0.3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H22 Mg2 N9 O19 V -","- C42 H12 Mg2.0001 N9 O19 V0.9999 -","- C84 H24 Mg4.0002 N18 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1145","0.0942","","","0.2657","0.2816","","","","","","1.03","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547975","16.8599","0.0012","16.8599","0.0012","14.882","0.003","90","","90","","120","","3663.5","0.8","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C54 H12 Mg2.0001 N6 O13 V0.9999 -","- C108 H24 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1364","0.1244","","","0.3459","0.3663","","","","","","1.019","","","","has coordinates,has disorder","288476","2023-12-21","15:26:11",""
"1547976","16.7913","0.0002","16.7913","0.0002","20.6558","0.0005","90","","90","","120","","5043.61","0.15","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C57 H30 Mg2.0001 N6 O13 V0.9999 -","- C114 H60 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1207","0.0807","","","0.226","0.2473","","","","","","1.018","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547977","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O19 -","- C42 H18 Mg3 N6 O19 -","- C84 H36 Mg6 N12 O38 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0581","0.0431","","","0.1076","0.1126","","","","","","1.033","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547978","16.9886","0.0016","16.9886","0.0016","15.108","0.003","90","","90","","120","","3776.2","0.9","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O16 -","- C42 H15 Mg3 N6 O16 -","- C84 H30 Mg6 N12 O32 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0722","0.0512","","","0.1381","0.1462","","","","","","1.053","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547979","17.0231","0.0011","17.0231","0.0011","14.947","0.003","90","","90","","120","","3751.1","0.8","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O13 -","- C42 H24 Mg3 N6 O13 -","- C84 H48 Mg6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0487","","","0.1235","0.132","","","","","","1.005","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547980","25.9071","0.0008","9.1614","0.0003","16.4713","0.0004","90","","100.956","0.001","90","","3838.1","0.2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N4 Ni O6 P2 -","- C16 H20 N4 Ni O6 P2 -","- C128 H160 N32 Ni8 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0728","0.054","","","0.1274","0.1401","","","","","","1.036","","","","has coordinates,has disorder","203069","2020-10-21","18:00:00",""
"1547981","26.378","0.0013","9.059","0.0004","16.5517","0.0007","90","","102.286","0.001","90","","3864.6","0.3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N4 O6 P2 -","- C16 H20 Co N4 O6 P2 -","- C128 H160 Co8 N32 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0951","0.0524","","","0.1117","0.1299","","","","","","1.031","","","","has coordinates,has disorder","203070","2020-10-21","18:00:00",""
"1547982","16.43","0.03","10.012","0.015","44.3","0.09","90","","95.65","0.08","90","","7252","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C77 H59 N7 O4 -","- C75.5 H57.75 N7 O4 -","- C302 H231 N28 O16 -","4","2","","Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban","A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif","Nature Communications","2016","7","","12657","","10.1038/ncomms12657","","","0.6889","","","0.5577","0.3323","","","0.5374","0.6531","","","","","","1.586","","","","has coordinates,has disorder","203071","2020-10-21","18:00:00",""
"1547983","28.8117","0.0004","29.9302","0.0004","54.0382","0.0005","79.591","0.001","86.179","0.001","83.426","0.0012","45480.7","1","100","","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C664 H852 Ag136.45 Cl3 P S64 -","- C664 H852 Ag136.45 Cl3 P S64 -","- C1328 H1704 Ag272.9 Cl6 P2 S128 -","2","1","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.0994","0.0836","","0.1006","0.0953","0.0916","","","","","","1.1318","","","","has coordinates,has disorder","203072","2020-10-21","18:00:00",""
"1547984","67.3343","0.0006","67.3343","0.0006","188.5858","0.0017","90","","90","","120","","740478","11","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C1130 H1469 Ag374 Br2 Cl2 S113 -","- C1130 H1469 Ag380 Br2 Cl2 S113 -","- C20340 H26442 Ag6840 Br36 Cl36 S2034 -","18","0.5","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.1307","0.0951","","","0.2846","0.3317","","","","","","1.329","","","","has coordinates,has disorder","203073","2020-10-21","18:00:00",""
"1547985","5.6324","0.0003","26.1594","0.0016","9.3139","0.0005","90","","105.68","0.0019","90","","1321.25","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","2","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0528","0.0446","","","0.0925","0.0968","","","","","","1.044","","","","has coordinates","203074","2020-10-21","18:00:00",""
"1547986","9.9398","0.0008","30.471","0.003","17.5604","0.0015","90","","97.837","0.003","90","","5268.9","0.8","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H148 Mo2 N8 O17 S -","- C104 H148 Mo2 N8 O17 S -","- C208 H296 Mo4 N16 O34 S2 -","2","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1283","0.0715","","","0.136","0.1585","","","","","","1.008","","","","has coordinates,has disorder","203075","2020-10-21","18:00:00",""
"1547987","5.279","0.0005","11.5315","0.0008","23.4325","0.0019","90","","90","","90","","1426.4","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C52 H68 Cl4 O12 S4 -","4","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0434","0.0377","","","0.0785","0.0808","","","","","","1.08","","","","has coordinates,has disorder","203076","2020-10-21","18:00:00",""
"1547988","26.8296","0.0016","9.6925","0.0005","10.5106","0.0006","90","","101.233","0.0019","90","","2680.9","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br O3 S -","- C12 H15 Br O3 S -","- C96 H120 Br8 O24 S8 -","8","4","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1706","0.062","","","0.0935","0.1213","","","","","","0.949","","","","has coordinates","203077","2020-10-21","18:00:00",""
"1547989","9.98","0.0004","10.9599","0.0004","21.0009","0.0008","75.729","0.001","78.004","0.001","71.392","0.001","2088.84","0.14","122","2","122.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 Ir O2 P2 -","- C48 H44 F6 Ir O2 P2 -","- C96 H88 F12 Ir2 O4 P4 -","2","1","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.023","0.0187","","","0.0409","0.0419","","","","","","1.063","","","","has coordinates","203078","2020-10-21","18:00:00",""
"1547990","12.4516","0.0004","12.4516","0.0004","8.1424","0.0003","90","","90","","90","","1262.42","0.07","122","1","122","1","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C40 H48 F12 Ir2 N16 Zn2 -","8","","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0252","0.0134","","","0.0297","0.0349","","","","","","1.0337","","","","has coordinates","203079","2020-10-21","18:00:00",""
"1547991","10.0669","0.0009","10.1893","0.0009","11.8996","0.0011","93.574","0.003","99.116","0.003","115.451","0.003","1076.51","0.17","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","1","0.5","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0128","0.0127","","","0.033","0.0331","","","","","","1.056","","","","has coordinates","203080","2020-10-21","18:00:00",""
"1547993","32.757","0.002","34.249","0.002","31.088","0.002","90","","90","","90","","34877","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.0684","0.066","","","0.1824","0.1854","","","","","","1.057","","","","has coordinates,has disorder","203107","2020-10-21","18:00:00",""
"1547994","32.848","0.006","34.298","0.006","31.413","0.005","90","","90","","90","","35391","11","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.1222","0.1051","","","0.2742","0.2909","","","","","","1.036","","","","has coordinates,has disorder","203108","2020-10-21","18:00:00",""
"1547995","20.2276","0.0015","20.2276","0.0015","32.016","0.003","90","","90","","90","","13099.5","1.8","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C48 H91 Cl12 N12 O4 -","- C48 H84 Cl11.9999 N12 O4 -","- C384 H672 Cl95.9996 N96 O32 -","8","2","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.6889","","","0.0803","0.0751","","","0.1844","0.1911","","","","","","1.105","","","","has coordinates,has disorder","203109","2020-10-21","18:00:00",""
"1547996","31.7332","0.0011","25.7464","0.0004","20.982","0.0008","90","","132.711","0.006","90","","12596.1","1.4","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Tb -","- C62 H77 N4 P4 Si4 Tb -","- C496 H616 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0271","0.0244","","","0.0602","0.0616","","","","","","1.02","","","","has coordinates","203110","2020-10-21","18:00:00",""
"1547997","16.9671","0.0006","17.9463","0.0005","19.155","0.0006","71.281","0.003","64.086","0.003","65.421","0.003","4701.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 Ce K N4 O8 P4 Si4 -","- C89 H124 Ce K N4 O8 P4 Si4 -","- C178 H248 Ce2 K2 N8 O16 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0432","0.0415","","","0.1083","0.1109","","","","","","1.023","","","","has coordinates,has disorder","203111","2020-10-21","18:00:00",""
"1547998","16.9776","0.0006","17.8949","0.0006","19.1874","0.0007","71.135","0.003","64.209","0.004","65.333","0.003","4697.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H124 K N4 O8 P4 Pr Si4 -","- C89 H124 K N4 O8 P4 Pr Si4 -","- C178 H248 K2 N8 O16 P8 Pr2 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.058","0.0558","","","0.1517","0.1554","","","","","","1.048","","","","has coordinates,has disorder","203112","2020-10-21","18:00:00",""
"1547999","15.1657","0.0005","15.2813","0.0004","21.1867","0.0005","98.753","0.002","94.959","0.002","93.489","0.002","4821","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Tb -","- C90 H132 K N4 O10 P4 Si4 Tb -","- C180 H264 K2 N8 O20 P8 Si8 Tb2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0675","0.0589","","","0.1545","0.1641","","","","","","1.024","","","","has coordinates,has disorder","203113","2020-10-21","18:00:00",""
"1548000","12.5621","0.0002","13.937","0.0003","21.4408","0.0004","95.8269","0.0016","101.874","0.0014","109.053","0.0017","3414.01","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 Ce N4 P4 Si4 -","- C67 H88 Ce N4 P4 Si4 -","- C134 H176 Ce2 N8 P8 Si8 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0749","0.0761","","","","","","1.023","","","","has coordinates,has disorder","203115","2020-10-21","18:00:00",""
"1548001","19.1815","0.0018","19.125","0.0019","12.1896","0.0012","90","","90","","90","","4471.7","0.8","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 U -","- C39 H60 N2 P2 Si4 U -","- C156 H240 N8 P8 Si16 U4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","1.54184","CuKα","","0.0948","0.0857","","","0.2269","0.2364","","","","","","1.044","","","","has coordinates,has disorder","203116","2020-10-21","18:00:00",""
"1548002","45.8315","0.0014","13.00211","0.00019","24.0634","0.0005","90","","104.354","0.003","90","","13891.9","0.6","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Pr Si4 -","- C69 H84 Ag N4 P4 Pr Si4 -","- C552 H672 Ag8 N32 P32 Pr8 Si32 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0445","0.0344","","","0.0778","0.0825","","","","","","1.019","","","","has coordinates","203117","2020-10-21","18:00:00",""
"1548003","12.6142","0.0006","13.8834","0.0005","21.4347","0.0008","95.968","0.003","101.233","0.003","109.178","0.004","3419.9","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H90 N4 P4 Si4 U -","- C62 H76 N4 P4 Si4 U -","- C124 H152 N8 P8 Si8 U2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.062","0.0531","","","0.1315","0.1408","","","","","","1.038","","","","has coordinates","203118","2020-10-21","18:00:00",""
"1548004","12.9528","0.0003","14.0462","0.0005","19.2134","0.0003","95.067","0.002","92.9824","0.0018","110.18","0.003","3255.49","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H80 N4 P4 Si4 Th -","- C65.5 H80 N4 P4 Si4 Th -","- C131 H160 N8 P8 Si8 Th2 -","2","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0236","0.0233","","","0.0609","0.0611","","","","","","1.045","","","","has coordinates,has disorder","203119","2020-10-21","18:00:00",""
"1548005","19.2611","0.0016","19.2083","0.0018","12.23","0.0011","90","","90","","90","","4524.8","0.7","90","2","90.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H60 N2 P2 Si4 Th -","- C39 H60 N2 P2 Si4 Th -","- C156 H240 N8 P8 Si16 Th4 -","4","0.5","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","","0.71073","MoKα","","0.1123","0.0828","","","0.2095","0.2391","","","","","","1.167","","","","has coordinates,has disorder","203120","2020-10-21","18:00:00",""
"1548006","45.786","0.003","12.9185","0.0007","24.1821","0.0012","90","","104.683","0.005","90","","13836.3","1.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H84 Ag N4 P4 Si4 Tb -","- C69 H84 Ag N4 P4 Si4 Tb -","- C552 H672 Ag8 N32 P32 Si32 Tb8 -","8","1","","Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle","The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes","Nature Communications","2017","8","","14137","","10.1038/ncomms14137","","x-ray","1.54184","CuKα","","0.0389","0.0341","","","0.0835","0.087","","","","","","1.021","","","","has coordinates","203121","2020-10-21","18:00:00",""
"1548007","22.313","0.004","26.967","0.005","12.873","0.003","90","","90","","90","","7746","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1737","0.1373","","","0.3141","0.339","","","","","","1.074","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548008","22.143","0.005","26.947","0.006","12.88","0.003","90","","90","","90","","7685","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1628","0.1475","","","0.3733","0.3849","","","","","","1.155","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548009","22.283","0.005","26.935","0.006","12.891","0.003","90","","90","","90","","7737","3","153","2","153","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1406","","","0.3611","0.3714","","","","","","1.17","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548010","22.39","0.005","26.954","0.006","12.88","0.003","90","","90","","90","","7773","3","173","2","183","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1499","0.1362","","","0.3342","0.344","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548011","22.519","0.005","26.938","0.006","12.867","0.003","90","","90","","90","","7805","3","213","2","213","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.161","0.143","","","0.3729","0.3862","","","","","","1.126","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548012","22.691","0.005","26.989","0.006","12.841","0.003","90","","90","","90","","7864","3","243","2","243","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1347","","","0.3316","0.3453","","","","","","1.176","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548013","22.819","0.006","27.035","0.007","12.839","0.003","90","","90","","90","","7921","3","273","2","273","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1693","0.1438","","","0.3428","0.3594","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548014","22.975","0.005","27.014","0.006","12.824","0.003","90","","90","","90","","7959","3","303","2","303","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.169","0.1384","","","0.3404","0.3604","","","","","","1.205","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548015","23.21","0.005","26.944","0.006","12.808","0.003","90","","90","","90","","8010","3","333","2","333","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1713","0.1385","","","0.3228","0.3425","","","","","","1.182","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548016","23.552","0.006","26.838","0.007","12.801","0.003","90","","90","","90","","8091","4","363","2","363","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2216","0.1867","","","0.409","0.4323","","","","","","1.213","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548017","23.966","0.008","26.5","0.008","12.776","0.004","90","","90","","90","","8114","4","393","2","393","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.265","0.2317","","","0.4529","0.474","","","","","","1.278","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548018","17.856","0.006","17.856","0.006","12.787","0.007","90","","90","","90","","4077","3","438","2","438","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H8.5 N O2 -","- C160 H136 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2123","0.1735","","","0.4425","0.4742","","","","","","0.913","","","","has coordinates","203133","2020-10-21","18:00:00",""
"1548019","17.491","0.009","17.491","0.009","12.915","0.007","90","","90","","90","","3951","4","303","2","303","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3202","0.2921","","","0.6352","0.6533","","","","","","0.935","","","","has coordinates","203134","2020-10-21","18:00:00",""
"1548020","17.289","0.006","17.289","0.006","12.957","0.004","90","","90","","90","","3873","2","123","2","123","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3197","0.2856","","","0.5842","0.6084","","","","","","0.985","","","","has coordinates","203135","2020-10-21","18:00:00",""
"1548022","23.042","0.005","9.2011","0.0019","20.049","0.004","90","","116.718","0.004","90","","3796.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O10 Pt3 -","- C34 H36 N6 O10 Pt3 -","- C136 H144 N24 O40 Pt12 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1263","0.0596","","","0.1269","0.1499","","","","","","0.905","","","","has coordinates","288183","2023-12-08","14:41:40",""
"1548023","18.7199","0.0006","9.6901","0.0003","23.7454","0.0008","90","","101.185","0.001","90","","4225.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N6 O15.5 Pt3 -","- C34 H36 N6 O15.244 Pt3 -","- C136 H144 N24 O60.976 Pt12 -","4","1","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.07","0.0331","","","0.0607","0.0678","","","","","","0.911","","","","has coordinates,has disorder","203148","2020-10-21","18:00:00",""
"1548024","22.9917","0.0008","17.8912","0.0006","20.7881","0.0007","90","","102.477","0.001","90","","8349.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 N12 O28 Pt6 -","- C68 H72 N12 O28 Pt6 -","- C272 H288 N48 O112 Pt24 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1143","0.0372","","","0.0552","0.0673","","","","","","0.815","","","","has coordinates,has disorder","288183","2023-12-08","14:41:53",""
"1548025","12.158","0.002","10.943","0.002","16.944","0.003","90","","93.548","0.004","90","","2250","0.7","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H50 N7 O20 Pt3 -","- C34 H36 N7.001 O20.002 Pt3 -","- C68 H72 N14.002 O40.004 Pt6 -","2","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.0352","0.0249","","","0.0497","0.0512","","","","","","0.873","","","","has coordinates,has disorder","203150","2020-10-21","18:00:00",""
"1548026","14.3496","0.0006","17.9265","0.0008","26.5741","0.0012","89.696","0.004","88.052","0.004","86.937","0.004","6822.1","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H111 B N4 O2 Si3 Th -","- C67 H111 B N4 O2 Si3 Th -","- C268 H444 B4 N16 O8 Si12 Th4 -","4","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.2352","0.2147","","","0.488","0.498","","","","","","1.248","","","","has coordinates","203151","2020-10-21","18:00:00",""
"1548027","18.6189","0.0005","22.6046","0.0007","22.2818","0.0005","90","","113.726","0.003","90","","8585.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H77 N4 P Si3 Th -","- C33 H77 N4 P Si3 Th -","- C264 H616 N32 P8 Si24 Th8 -","8","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.1171","0.0584","","","0.099","0.1192","","","","","","0.981","","","","has coordinates,has disorder","203152","2020-10-21","18:00:00",""
"1548028","13.5631","0.0005","21.2452","0.0007","23.4879","0.0008","90","","90","","90","","6768.1","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H116 N4 Na O8 P Si3 Th -","- C56 H116 N4 Na O8 P Si3 Th -","- C224 H464 N16 Na4 O32 P4 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.051","0.0377","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","203153","2020-10-21","18:00:00",""
"1548029","13.8618","0.0004","15.2608","0.0005","22.2411","0.0006","96.043","0.002","91.075","0.002","98.324","0.002","4626.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N8 P Si6 Th2 -","- C80 H167 N8 P Si6 Th2 -","- C160 H334 N16 P2 Si12 Th4 -","2","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0732","0.0479","","","0.0808","0.0891","","","","","","1.07","","","","has coordinates,has disorder","203154","2020-10-21","18:00:00",""
"1548030","23.1479","0.0007","17.4133","0.0005","26.4947","0.0009","90","","103.615","0.004","90","","10379.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H187 N8 Na O9 P Si6 Th2 -","- C84 H187 N8 Na O9 P Si6 Th2 -","- C336 H748 N32 Na4 O36 P4 Si24 Th8 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0923","0.0557","","","0.1075","0.1271","","","","","","1.045","","","","has coordinates,has disorder","203155","2020-10-21","18:00:00",""
"1548031","18.4228","0.0013","21.7375","0.0013","20.5577","0.0013","90","","108.19","0.007","90","","7821.2","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H134 B N5 O3 Si3 Th -","- C75 H134 B N5 O3 Si3 Th -","- C300 H536 B4 N20 O12 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","1.54184","CuKα","","0.146","0.0888","","","0.1983","0.2472","","","","","","1.05","","","","has coordinates","203156","2020-10-21","18:00:00",""
"1548032","9.6767","0.0014","9.6767","0.0014","20.172","0.003","90","","90","","120","","1635.8","0.4","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5 H7 N8 O0.5 Zn -","- C5 H7 N8 O0.5 Zn -","- C30 H42 N48 O3 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.041","0.0369","","","0.095","0.0994","","","","","","1.051","","","","has coordinates","203157","2020-10-21","18:00:00",""
"1548033","9.6963","0.0015","9.6963","0.0015","20.126","0.003","90","","90","","120","","1638.7","0.4","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5 H6 N8 Zn -","- C5 H6 N8 Zn -","- C30 H36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.019","0.0186","","","0.0489","0.0491","","","","","","1.003","","","","has coordinates","203158","2020-10-21","18:00:00",""
"1548034","9.663","0.003","9.663","0.003","20.224","0.005","90","","90","","120","","1635.4","0.8","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.7 H8.09 N8 Zn -","- C5.698 H8.094 N8 Zn -","- C34.188 H48.564 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0546","0.0448","","","0.1117","0.1203","","","","","","1.008","","","","has coordinates,has disorder","203159","2020-10-21","18:00:00",""
"1548035","9.6896","0.0016","9.6896","0.0016","20.153","0.004","90","","90","","120","","1638.6","0.5","195","2","195","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C5.78 H7.56 N8 Zn -","- C5.78 H7.56 N8 Zn -","- C34.68 H45.36 N48 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0343","0.0337","","","0.1023","0.1028","","","","","","1.059","","","","has coordinates","203160","2020-10-21","18:00:00",""
"1548036","9.7682","0.0015","9.7682","0.0015","20.1","0.004","90","","90","","120","","1660.9","0.5","195","2","195","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C5.13 H6 N8 O0.27 Zn -","- C5.1355 H6 N8 O0.271 Zn -","- C30.813 H36 N48 O1.626 Zn6 -","6","1","","Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Efficient purification of ethene by an ethane-trapping metal-organic framework","Nature Communications","2015","6","","8697","","10.1038/ncomms9697","","","0.71073","MoKα","","0.0432","0.0422","","","0.1304","0.1313","","","","","","1.052","","","","has coordinates","203161","2020-10-21","18:00:00",""
"1548037","4.9205","0.001","11.812","0.002","14.637","0.003","99.369","0.007","93.376","0.007","98.82","0.007","826.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","1","1","","Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit","Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides","Nature Communications","2016","7","","13482","","10.1038/ncomms13482","","","0.7","synchrotron","","0.0472","0.047","","","0.1255","0.1257","","","","","","1.029","","","","has coordinates,has disorder","203162","2020-10-21","18:00:00",""
"1548038","10.0403","0.0004","4.671","0.0001","15.6056","0.0007","90","","106.407","0.004","90","","702.07","0.05","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.0531","0.0474","","","0.1309","0.1405","","","","","","1.044","","","","has coordinates","203163","2020-10-21","18:00:00",""
"1548039","10.3855","0.0012","3.8212","0.0003","17.2111","0.0018","90","","96.235","0.01","90","","678.98","0.12","80","2","80","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.1043","0.0752","","","0.1913","0.2203","","","","","","1.008","","","","has coordinates","203164","2020-10-21","18:00:00",""
"1548040","11.6193","0.0005","5.5667","0.0002","22.9312","0.001","90","","100.897","0.004","90","","1456.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S Xe0.42 -","- C14 H8 Ca O6 S Xe0.421 -","- C56 H32 Ca4 O24 S4 Xe1.684 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","1.54184","CuKα","","0.0835","0.0703","","","0.2105","0.2231","","","","","","1.325","","","","has coordinates","203165","2020-10-21","18:00:00",""
"1548041","11.8819","0.0003","5.5555","0.0001","22.6411","0.0005","90","","101.302","0.002","90","","1465.55","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca Kr0.15 O6 S -","- C14 H8 Ca Kr0.1496 O6 S -","- C56 H32 Ca4 Kr0.5984 O24 S4 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","0.71073","MoKα","","0.0518","0.0411","","","0.0993","0.1059","","","","","","0.997","","","","has coordinates","203166","2020-10-21","18:00:00",""
"1548042","22.3181","0.0005","23.1069","0.0004","22.5654","0.0006","90","","112.263","0.003","90","","10769.5","0.5","150.06","0.14","150.06","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 Co N3 O13 Ru2 -","- C45 H69 Co0.9999 N3 O13 Ru2.0001 -","- C360 H552 Co7.9992 N24 O104 Ru16.0008 -","8","2","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","","0.71073","MoKα","","0.0725","0.05","","","0.117","0.1295","","","","","","1.034","","","","has coordinates,has disorder","203167","2020-10-21","18:00:00",""
"1548043","11.466","0.0005","14.9252","0.0009","18.9394","0.0008","84.303","0.004","88.505","0.004","68.403","0.005","2998.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H71 Cl2 Co F6 N3 O13 P Ru2 -","- C46 H71 Cl2 Co0.9999 F6 N3 O13 P Ru2.0001 -","- C92 H142 Cl4 Co1.9998 F12 N6 O26 P2 Ru4.0002 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1342","0.1192","","","0.3074","0.3372","","","","","","1.435","","","","has coordinates,has disorder","203168","2020-10-21","18:00:00",""
"1548044","24.8796","0.0005","24.8796","0.0005","96.7732","0.0016","90","","90","","120","","51876.7","1.7","100","2","100.15","","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 -","- C209 H369 Co0.9999 Cr14 F16 N5 Ni2 O77 Ru2.0001 -","- C1254 H2214 Co5.9994 Cr84 F96 N30 Ni12 O462 Ru12.0006 -","6","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1382","0.1276","","","0.3158","0.3266","","","","","","1.308","","","","has coordinates,has disorder","203169","2020-10-21","18:00:00",""
"1548045","19.3835","0.0003","27.6538","0.0004","29.1765","0.0006","76.822","0.0016","84.5616","0.0015","89.7001","0.0013","15156.9","0.5","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C216 H347 Cl2 Co Cr14 F16 N9 Ni2 O72 -","- C224 H357 Cl Co Cr14 F16 N9 Ni2 O68 -","- C448 H714 Cl2 Co2 Cr28 F32 N18 Ni4 O136 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1586","0.105","","","0.3098","0.3574","","","","","","1.199","","","","has coordinates,has disorder","203170","2020-10-21","18:00:00",""
"1548046","56.308","0.003","16.4647","0.0003","30.7417","0.0009","90","","93.238","0.003","90","","28455","1.8","100","2","100.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C824 H1320 Cl8 Co4 Cr56 F64 N32 Ni8 O288 -","4","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1752","0.1272","","","0.3574","0.422","","","","","","1.301","","","","has coordinates,has disorder","203171","2020-10-21","18:00:00",""
"1548047","16.6948","0.0003","29.8156","0.0006","31.7036","0.0006","70.4222","0.0018","83.8761","0.0016","77.9945","0.0018","14531.7","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C378 H644 Co2 Cr28 F32 N16 Ni4 O130 S4 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.5418","CuKα","","0.0984","0.0697","","","0.1816","0.1984","","","","","","1.036","","","","has coordinates,has disorder","203172","2020-10-21","18:00:00",""
"1548048","40.103","0.002","9.0797","0.0004","21.8936","0.0012","90","","106.06","0.006","90","","7660.8","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27 B2 Co F8 N6 O7 -","- C34 H27 B2 Co F8 N6 O7 -","- C272 H216 B16 Co8 F64 N48 O56 -","8","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54178","CuKα","","0.1321","0.0831","","","0.2314","0.2723","","","","","","1.02","","","","has coordinates,has disorder","203173","2020-10-21","18:00:00",""
"1548049","9.2332","0.0006","12.2853","0.0009","19.3386","0.0011","85.098","0.005","76.757","0.005","88.79","0.005","2127.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C89 H58 B4 Cl2 Co2 F16 N12 O8 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1357","0.1045","","","0.2864","0.3166","","","","","","1.04","","","","has coordinates","203174","2020-10-21","18:00:00",""
"1548050","16.7978","0.0004","31.2594","0.0011","24.9128","0.0009","90","","103.209","0.003","90","","12735.3","0.7","150.06","0.14","150.06","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C388 H644 Cr28.16 F32 N16 Ni3.84 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.71073","MoKα","","0.0965","0.0569","","","0.1141","0.1341","","","","","","1.025","","","","has coordinates,has disorder","203175","2020-10-21","18:00:00",""
"1548051","30.5037","0.0019","16.5057","0.0005","32.2556","0.0019","90","","115.872","0.007","90","","14612.5","1.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H173 Cr7 F8 N4 Ni O32 -","- C110 H173 Cr7 F8 N4 Ni O32 -","- C440 H692 Cr28 F32 N16 Ni4 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.173","0.1191","","","0.3297","0.3876","","","","","","1.147","","","","has coordinates,has disorder","203176","2020-10-21","18:00:00",""
"1548069","25.1999","0.0016","15.4651","0.0016","24.792","0.002","90","","112.931","0.007","90","","8898.4","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ga(Bipy)3][Al(OC(CF3)3)4]","","","- C68 H27 Al2 F73.75 Ga N6 O8 -","- C67.9992 H27 Al2 F73.7562 Ga N6 O7.9998 -","- C271.997 H108 Al8 F295.025 Ga4 N24 O31.9992 -","4","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1021","0.0752","","","0.1864","0.2063","","","","","","1.017","","","","has coordinates,has disorder","203252","2020-10-21","18:00:00",""
"1548070","22.4009","0.0011","30.7088","0.0016","20.4177","0.001","90","","95.459","0.002","90","","13981.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In3(BIPY)6][Al(OC(CF3)3)4]3","","- C108 H48 Al3 F108 In3 N12 O12 -","- C108 H48 Al3 F108.001 In3 N12 O12.0001 -","- C432.002 H192 Al12 F432.004 In12 N48 O48.0004 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.0755","0.068","","","0.1492","0.153","","","","","","1.204","","","","has coordinates,has disorder","203253","2020-10-21","18:00:00",""
"1548071","16.2891","0.0006","25.6709","0.0009","33.2531","0.0012","89.47","0.002","87.358","0.002","81.522","0.002","13738.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[In3(BIPY)5][Al(OC(CF3)3)4]3","","","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","- C422 H184 Al12 F437 In12 N40 O48 -","1","0.5","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1043","0.0655","","","0.1519","0.1709","","","","","","1.024","","","","has coordinates,has disorder","203254","2020-10-21","18:00:00",""
"1548072","34.744","0.005","34.792","0.005","37.21","0.005","106.127","0.004","101.609","0.004","118.938","0.003","34671","9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[In4(BIPY)6][Al(OC(CF3)3)4]4","","- C124 H48 Al4 F144 In4 N12 O16 -","- C124 H48 Al4 F144 In4 N12 O16 -","- C992 H384 Al32 F1152 In32 N96 O128 -","8","4","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.155","0.074","","","0.1691","0.2157","","","","","","1.078","","","","has coordinates,has disorder","203255","2020-10-21","18:00:00",""
"1548073","20.2872","0.0005","28.7711","0.0007","19.7149","0.0006","90","","117.303","0.0013","90","","10225.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[In4(PHEN)6][Al(OC(CF3)3)4]4","","- C86 H39 Al2 F75 In2 N6 O8 -","- C86 H39 Al2 F75 In2 N6 O8 -","- C344 H156 Al8 F300 In8 N24 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.1347","0.09","","","0.2232","0.2524","","","","","","1.272","","","","has coordinates,has disorder","203256","2020-10-21","18:00:00",""
"1548074","16.4785","0.0008","23.7211","0.0012","25.2293","0.0013","90","","97.519","0.003","90","","9777","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[In(Phen)2Ag(C6H5F)][Al(OC(CF3)3)4]2","","- C80 H36 Ag Al2 F76 In N4 O8 -","- C80 H36 Ag Al2 F76 In N4 O8 -","- C320 H144 Ag4 Al8 F304 In4 N16 O32 -","4","1","","Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing","Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine","Nature Communications","2015","6","","8288","","10.1038/ncomms9288","","","0.71073","MoKα","","0.058","0.0363","","","0.0796","0.0898","","","","","","1.023","","","","has coordinates,has disorder","203257","2020-10-21","18:00:00",""
"1548075","10.9738","0.0004","11.9313","0.0004","12.6146","0.0006","118.021","0.003","108.361","0.004","96.476","0.003","1315.07","0.12","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","1","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0494","0.0454","","","0.1157","0.1189","","","","","","1.076","","","","has coordinates,has disorder","203258","2020-10-21","18:00:00",""
"1548076","11.8653","0.0003","11.8653","0.0003","22.3848","0.0009","90","","90","","120","","2729.24","0.15","110","2","110","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 As2 Ge7 K2 N4 O12 -","- C36 H72 As2.0007 Ge6.9984 K2 N4 O12 -","- C72 H144 As4.0014 Ge13.9968 K4 N8 O24 -","2","0.166667","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.109","0.0521","","","0.0983","0.1048","","","","","","0.958","","","","has coordinates","203259","2020-10-21","18:00:00",""
"1548077","13.7543","0.0002","28.6077","0.0005","22.9845","0.0004","90","","92.489","0.001","90","","9035.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C272 H496 As16 Ge24 K12 N24 O72 Ta4 -","4","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0562","0.0346","","","0.0795","0.0838","","","","","","0.884","","","","has coordinates,has disorder","203260","2020-10-21","18:00:00",""
"1548078","16.6082","0.0005","22.696","0.0008","23.9068","0.0008","94.96","0.003","94.036","0.003","91.402","0.003","8951.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H116 As4.79 Ge8 K3 N8 O18 Ta -","- C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta -","- C188 H392.001 As19.1626 Ge32.0016 K12 N28 O60 Ta4 -","4","2","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.1187","0.0735","","","0.1838","0.1973","","","","","","0.991","","","","has coordinates","203261","2020-10-21","18:00:00",""
"1548079","27.6082","0.0004","23.0173","0.0004","24.3319","0.0004","90","","90","","90","","15462.1","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial College London","5","A e a 2","A 2 -2ab","41","","Zn11Et10O4(DPPA)4","","- C68 H90 O12 P4 Zn11 -","- C68 H90 O12 P4 Zn11 -","- C544 H720 O96 P32 Zn88 -","8","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0443","0.0334","","0.0767","0.0719","0.0767","","","","","","0.9947","","","","has coordinates","203262","2020-10-21","18:00:00",""
"1548080","24.3886","0.0005","10.1308","0.0002","23.8034","0.0005","90","","110.684","0.002","90","","5502.2","0.2","173","","173","","","","","","","","RCS1 312 Imperial College London","5","C 1 2/c 1","-C 2yc","15","","Zn4Et4(DPPA)4","","- C56 H60 O8 P4 Zn4 -","- C56 H60 O8 P4 Zn4 -","- C224 H240 O32 P16 Zn16 -","4","0.5","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0374","0.0295","","0.0653","0.0618","0.0653","","","","","","0.9733","","","","has coordinates","203263","2020-10-21","18:00:00",""
"1548081","26.8366","0.0004","19.619","0.0003","18.5191","0.0003","90","","94.853","0.0014","90","","9715.5","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn4O(DMeOPPA)6","","- C98 H100 O25 P6 Zn4 -","- C98 H100 O25 P6 Zn4 -","- C392 H400 O100 P24 Zn16 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0599","0.0386","","0.0981","0.0844","0.098","","","","","","1.0132","","","","has coordinates","203264","2020-10-21","18:00:00",""
"1548082","18.0222","0.0003","27.3672","0.0004","24.9782","0.0004","90","","104.179","0.0018","90","","11944.4","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn6(OH)3(DPPA)9","","- C115 H101 O21 P9 Zn6 -","- C115 H101 O21 P9 Zn6 -","- C460 H404 O84 P36 Zn24 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0833","0.0449","","0.1015","0.0946","0.1015","","","","","","0.9335","","","","has coordinates,has disorder","203265","2020-10-21","18:00:00",""
"1548083","18.9696","0.0003","19.3442","0.0003","35.8523","0.0007","100.397","0.0016","98.3638","0.0016","98.829","0.0015","12582.2","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial Collegel London","6","P -1","-P 1","2","","Zn6B3O6(DPPA)9","","- C124 H122 B3 O28 P9 Zn6 -","- C124 H122 B3 O28 P9 Zn6 -","- C496 H488 B12 O112 P36 Zn24 -","4","2","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","1.54184","CuKα","","0.0451","0.0389","","0.1054","0.1006","0.1053","","","","","","0.9889","","","","has coordinates,has disorder","203266","2020-10-21","18:00:00",""
"1548084","13.05","0.0002","13.05","0.0002","16.2992","0.0007","90","","90","","120","","2403.91","0.12","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H29 N3 O13 Zn3 -","- C51 H27 N3 O13 Zn3 -","- C102 H54 N6 O26 Zn6 -","2","0.333333","","Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian","Polarized three-photon-pumped laser in a single MOF microcrystal","Nature Communications","2016","7","","11087","","10.1038/ncomms11087","","","0.71073","MoKα","","0.1279","0.0567","","","0.1294","0.1448","","","","","","1.019","","","","has coordinates","203267","2020-10-21","18:00:00",""
"1548085","37.092","0.002","15.8045","0.0002","22.2156","0.0012","90","","140.685","0.011","90","","8251","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H150 Li2 N10 Si6 U2 -","- C66 H150 Li2 N10 Si6 U2 -","- C264 H600 Li8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0257","0.0236","","","0.0586","0.0599","","","","","","1.035","","","","has coordinates","203269","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548088","22.76348","0.00012","17.0958","0.00009","22.50605","0.00012","90","","100.782","0.0005","90","","8603.83","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H150 Cs2 N10 Si6 U2 -","- C66 H150 Cs2 N10 Si6 U2 -","- C264 H600 Cs8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0396","0.0395","","","0.1031","0.1031","","","","","","1.074","","","","has coordinates,has disorder","203272","2020-10-21","18:00:00",""
"1548089","11.3428","0.0003","16.5053","0.0005","18.3155","0.0005","79.554","0.003","85.928","0.002","81.641","0.002","3332.79","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H115 K N5 O10 Si3 U -","- C53 H115 K N5 O10 Si3 U -","- C106 H230 K2 N10 O20 Si6 U2 -","2","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0349","0.0321","","","0.0803","0.0823","","","","","","1.044","","","","has coordinates,has disorder","203273","2020-10-21","18:00:00",""
"1548090","15.8741","0.0003","18.5622","0.0003","24.7397","0.0004","90","","104.27","0.0016","90","","7064.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 N5 O10 Rb Si3 U -","- C61 H115 N5 O10 Rb Si3 U -","- C244 H460 N20 O40 Rb4 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0245","0.022","","","0.0526","0.054","","","","","","1.02","","","","has coordinates,has disorder","203274","2020-10-21","18:00:00",""
"1548091","16.09798","0.00019","18.4937","0.0002","24.5732","0.0003","90","","103.225","0.0012","90","","7121.71","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Cs N5 O10 Si3 U -","- C61 H115 Cs N5 O10 Si3 U -","- C244 H460 Cs4 N20 O40 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0667","0.0585","","","0.1422","0.1488","","","","","","1.025","","","","has coordinates,has disorder","203275","2020-10-21","18:00:00",""
"1548092","25.5519","0.0002","13.37345","0.00009","14.81292","0.0001","90","","90","","90","","5061.83","0.06","120","2","120","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C41 H91 Li N5 O4 Si3 U -","- C41 H91 Li N5 O4 Si3 U -","- C164 H364 Li4 N20 O16 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0304","0.0285","","","0.0708","0.0728","","","","","","1.017","","","","has coordinates,has disorder","203276","2020-10-21","18:00:00",""
"1548093","23.7586","0.0003","23.7586","0.0003","23.7586","0.0003","90","","90","","90","","13411","0.3","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C52.5 H116.5 N5 O6 Rb Si3 U -","- C45 H99 N5 O6 Rb Si3 U -","- C360 H792 N40 O48 Rb8 Si24 U8 -","8","0.333333","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0816","0.0699","","","0.1987","0.212","","","","","","1.061","","","","has coordinates,has disorder","203277","2020-10-21","18:00:00",""
"1548094","14.5874","0.0004","13.7318","0.0003","28.4495","0.0008","90","","91.52","0.003","90","","5696.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H99 Cs N5 O6 Si3 U -","- C45 H99 Cs N5 O6 Si3 U -","- C180 H396 Cs4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0535","0.0457","","","0.1204","0.1285","","","","","","1.025","","","","has coordinates","203278","2020-10-21","18:00:00",""
"1548095","11.83314","0.0001","22.09845","0.00018","22.8903","0.00019","90","","90","","90","","5985.68","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H99 K N5 O6 Si3 U -","- C53 H99 K N5 O6 Si3 U -","- C212 H396 K4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.016","0.0158","","","0.0373","0.0374","","","","","","1.062","","","","has coordinates","203279","2020-10-21","18:00:00",""
"1548158","21.7729","0.0008","10.4524","0.0009","9.7642","0.0003","90","","88.212","0.003","90","","2221","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0721","0.0533","","","0.1399","0.1554","","","","","","1.047","","","","has coordinates,has disorder","203476","2020-10-21","18:00:00",""
"1548159","11.2235","0.0003","9.8526","0.0002","20.7922","0.0005","90","","88.74","0.001","90","","2298.66","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0639","0.0517","","","0.1452","0.1564","","","","","","1.031","","","","has coordinates,has disorder","203477","2020-10-21","18:00:00",""
"1548160","11.181","0.015","9.809","0.013","20.71","0.03","90","","88.545","0.013","90","","2271","5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","0.71073","MoKα","","0.0719","0.05","","","0.1254","0.1397","","","","","","1.028","","","","has coordinates,has disorder","203478","2020-10-21","18:00:00",""
"1548161","10.697","0.002","9.84","0.002","20.854","0.004","90","","90.15","0.03","90","","2195.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dalcetrapib","S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann","Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening","Nature Communications","2015","6","","7793","","10.1038/ncomms8793","","","1.54178","CuKα","","0.0454","0.0391","","","0.0986","0.1037","","","","","","1.052","","","","has coordinates","203479","2020-10-21","18:00:00",""
"1548162","17.579","0.004","17.158","0.003","25.46","0.005","90","","101.8","0.03","90","","7517","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H65 Au4 B Cl3 F4 N P4 -","- C81 H65 Au4 B Cl3 F4 N P4 -","- C324 H260 Au16 B4 Cl12 F16 N4 P16 -","4","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.1437","0.1162","","","0.2724","0.3049","","","","","","1.205","","","","has coordinates","203480","2020-10-21","18:00:00",""
"1548163","17.519","0.004","19.67","0.004","20.326","0.004","76.07","0.03","81.79","0.03","72.44","0.03","6463","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H55 Au3 B Cl3 F4 N P3 -","- C69 H55 Au3 B Cl3 F4 N P3 -","- C276 H220 Au12 B4 Cl12 F16 N4 P12 -","4","2","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.0924","0.0755","","","0.1907","0.2037","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548164","10.506","0.002","16.748","0.003","19.375","0.004","67.55","0.03","89.98","0.03","89.81","0.03","3150.7","1.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C126 H112 Au6 B2 Cl6 F8 N2 P6 Si2 -","2","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.063","0.0579","","","0.1447","0.149","","","","","","1.092","","","","has coordinates","203482","2020-10-21","18:00:00",""
"1548165","13.435","0.003","15.565","0.003","35.747","0.007","90","","97.59","0.03","90","","7410","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C312 H248 Au16 B4 Cl12 F16 N4 P16 -","2","0.5","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.71073","MoKα","","0.087","0.0755","","","0.1966","0.2067","","","","","","1.161","","","","has coordinates,has disorder","203483","2020-10-21","18:00:00",""
"1548166","9.8533","0.0013","25.995","0.003","8.1782","0.001","90","","100.741","0.002","90","","2058","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0739","0.0728","","","0.1645","0.1663","","","","","","1.31","","","","has coordinates,has disorder","203484","2020-10-21","18:00:00",""
"1548167","9.865","0.002","25.934","0.006","8.172","0.002","90","","100.762","0.003","90","","2053.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0428","0.0323","","","0.0847","0.0888","","","","","","0.97","","","","has coordinates,has disorder","203485","2020-10-21","18:00:00",""
"1548168","9.8591","0.0012","26.027","0.003","8.1886","0.001","90","","100.676","0.003","90","","2064.8","0.4","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0897","0.0691","","","0.1238","0.1317","","","","","","1.18","","","","has coordinates,has disorder","203486","2020-10-21","18:00:00",""
"1548169","9.801","0.002","27.12","0.005","7.7592","0.0016","90","","101.09","0.03","90","","2023.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.0804","0.0533","","","0.1173","0.1332","","","","","","1.011","","","","has coordinates","203487","2020-10-21","18:00:00",""
"1548170","9.915","0.002","26.133","0.005","8.3197","0.0017","90","","101.9","0.03","90","","2109.4","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71073","MoKα","","0.1151","0.0579","","","0.1256","0.1578","","","","","","1.038","","","","has coordinates,has disorder","203488","2020-10-21","18:00:00",""
"1548171","9.86","0.004","25.836","0.01","8.226","0.003","90","","102.973","0.01","90","","2042","1.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1006","0.059","","","0.1212","0.1424","","","","","","1.022","","","","has coordinates","203489","2020-10-21","18:00:00",""
"1548172","9.871","0.002","26.022","0.006","8.286","0.002","90","","101.902","0.006","90","","2082.6","0.8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N7 O8 Zn -","- C16 H17 N7 O8 Zn -","- C64 H68 N28 O32 Zn4 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.1261","0.0599","","","0.1338","0.17","","","","","","1.062","","","","has coordinates,has disorder","203490","2020-10-21","18:00:00",""
"1548173","9.699","0.003","27.857","0.009","7.707","0.002","90","","101.44","0.009","90","","2040.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Co N7 O8 -","- C17 H19 Co N7 O8 -","- C68 H76 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.06","0.0426","","","0.0816","0.0898","","","","","","1.043","","","","has coordinates","203491","2020-10-21","18:00:00",""
"1548174","8.037","0.0016","15.043","0.003","18.574","0.004","90.537","0.006","94.769","0.005","92.761","0.004","2235","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 Co N7 O9 -","- C18 H23 Co N7 O9 -","- C72 H92 Co4 N28 O36 -","4","2","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0479","0.0406","","","0.0936","0.0983","","","","","","1.095","","","","has coordinates","203492","2020-10-21","18:00:00",""
"1548175","11","0.002","16.03","0.003","15.347","0.003","90","","106.744","0.005","90","","2591.4","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Co N7 O8 -","- C22 H29 Co N7 O8 -","- C88 H116 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0906","0.0833","","","0.1951","0.2006","","","","","","1.116","","","","has coordinates","203493","2020-10-21","18:00:00",""
"1548176","9.849","0.0011","25.942","0.003","8.161","0.0009","90","","100.764","0.002","90","","2048.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0344","0.0335","","","0.0838","0.0845","","","","","","1.081","","","","has coordinates,has disorder","203494","2020-10-21","18:00:00",""
"1548177","9.8458","0.0015","25.898","0.004","8.1434","0.0014","90","","100.839","0.003","90","","2039.4","0.6","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0319","0.031","","","0.08","0.0808","","","","","","1.062","","","","has coordinates,has disorder","203495","2020-10-21","18:00:00",""
"1548178","9.7984","0.0018","27.41","0.005","7.6404","0.0016","90","","100.082","0.004","90","","2020.3","0.7","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0321","0.0309","","","0.0767","0.0776","","","","","","1.086","","","","has coordinates","203496","2020-10-21","18:00:00",""
"1548179","9.7948","0.0018","27.435","0.005","7.5979","0.0015","90","","100.265","0.005","90","","2009","0.7","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0578","0.047","","","0.1466","0.2094","","","","","","1.192","","","","has coordinates","203497","2020-10-21","18:00:00",""
"1548180","9.794","0.003","27.475","0.009","7.548","0.003","90","","100.433","0.008","90","","1997.5","1.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0315","0.0301","","","0.0719","0.0728","","","","","","1.053","","","","has coordinates","203498","2020-10-21","18:00:00",""
"1548181","9.796","0.002","27.433","0.006","7.5962","0.0017","90","","100.288","0.005","90","","2008.5","0.8","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0351","0.0328","","","0.081","0.0869","","","","","","1.127","","","","has coordinates","203499","2020-10-21","18:00:00",""
"1548182","9.804","0.004","27.417","0.01","7.659","0.003","90","","100.03","0.005","90","","2027.2","1.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0413","0.0321","","","0.0842","0.0873","","","","","","0.972","","","","has coordinates","203500","2020-10-21","18:00:00",""
"1548183","9.8515","0.0018","25.892","0.005","8.1511","0.0015","90","","100.82","0.002","90","","2042.2","0.7","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Co N7 O8 -","- C16 H17 Co N7 O8 -","- C64 H68 Co4 N28 O32 -","4","1","","Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex","Nature Communications","2015","6","","8810","","10.1038/ncomms9810","","","0.71075","MoKα","","0.0394","0.0308","","","0.0814","0.0845","","","","","","1.02","","","","has coordinates,has disorder","203501","2020-10-21","18:00:00",""
"1548184","8.197","0.0005","24.7447","0.0018","11.5021","0.001","90","","94.741","0.007","90","","2325","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy P -","- C27 H34 Dy P -","- C108 H136 Dy4 P4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0487","0.0382","","","0.0841","0.0932","","","","","","1.039","","","","has coordinates,has disorder","203520","2020-10-21","18:00:00",""
"1548185","14.8907","0.0006","18.6253","0.0008","23.5996","0.0009","90","","103.258","0.004","90","","6370.8","0.5","150.06","0.14","150.06","0.14","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C70 H83 Dy3 P3 -","- C70 H83 Dy3 P3 -","- C280 H332 Dy12 P12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.066","0.057","","","0.1221","0.1307","","","","","","1.063","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1548186","22.321","0.0005","15.7702","0.0003","27.9921","0.0007","90","","95.319","0.002","90","","9811","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C194 H286 Dy6 Li O17 P6 -","- C194 H286 Dy6 Li6 O17 P6 -","- C388 H572 Dy12 Li12 O34 P12 -","2","0.5","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0592","0.0433","","","0.0997","0.1099","","","","","","1.031","","","","has coordinates,has disorder","203522","2020-10-21","18:00:00",""
"1548187","8.179","0.0006","24.6788","0.0018","11.5031","0.001","90","","94.707","0.006","90","","2314","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 P Y -","- C27 H34 P Y -","- C108 H136 P4 Y4 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0971","0.0529","","","0.1082","0.1415","","","","","","1.028","","","","has coordinates,has disorder","203523","2020-10-21","18:00:00",""
"1548188","11.6328","0.0004","25.0914","0.001","21.5705","0.0007","90","","91.002","0.003","90","","6295.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H83 P3 Y3 -","- C70 H83 P3 Y3 -","- C280 H332 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.0937","0.057","","","0.1423","0.1604","","","","","","1.039","","","","has coordinates,has disorder","203524","2020-10-21","18:00:00",""
"1548189","22.3184","0.001","15.7523","0.001","27.9702","0.0014","90","","95.358","0.004","90","","9790.4","0.9","150.01","0.12","150.01","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H147 Li3 O9 P3 Y3 -","- C99 H147 Li3 O9 P3 Y3 -","- C396 H588 Li12 O36 P12 Y12 -","4","1","","Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield","Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands","Nature Communications","2015","6","","7492","","10.1038/ncomms8492","","","0.71073","MoKα","","0.1366","0.0607","","","0.0881","0.108","","","","","","0.992","","","","has coordinates,has disorder","203525","2020-10-21","18:00:00",""
"1548190","6.8269","0.0004","11.8121","0.0007","39.687","0.003","90","","90","","90","","3200.4","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyl-4-(4-p","","- C37 H54 O3 -","- C37 H54 O3 -","- C148 H216 O12 -","4","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0721","0.0534","","","0.1236","0.145","","","","","","1.074","","","","has coordinates","203526","2020-10-21","18:00:00",""
"1548191","11.197","0.0001","11.9551","0.0001","14.1022","0.0002","90","","108.316","0.001","90","","1792.1","0.04","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe","","- C34 H50 Cl N3 O4 S Si -","- C34 H50 Cl N3 O4 S Si -","- C68 H100 Cl2 N6 O8 S2 Si2 -","2","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0866","0.0854","","","0.2767","0.2802","","","","","","1.085","","","","has coordinates,has disorder","203527","2020-10-21","18:00:00",""
"1548192","28.9075","0.0003","29.7016","0.0002","78.032","0.0009","90","","90","","90","","66998.2","1.1","100","","100","","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C1836 H2832 Cr112 Cu8 F224 N32 Ni16 O564 -","8","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1588","0.1164","","","0.3052","0.3377","","","","","","1.025","","","","has coordinates,has disorder","203528","2020-10-21","18:00:00",""
"1548193","25.5047","0.0005","31.7138","0.0004","31.7614","0.0005","73.3116","0.0013","86.822","0.0014","78.9831","0.0014","24154.7","0.7","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109 -","- C336 H561 Co0.9999 Cr21 F24 Fe2.0001 N6 Ni3 O109 -","- C672 H1122 Co1.9998 Cr42 F48 Fe4.0002 N12 Ni6 O218 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.6889","","","0.1133","0.0635","","","0.1597","0.1999","","","","","","0.995","","","","has coordinates,has disorder","203529","2020-10-21","18:00:00",""
"1548194","24.4826","0.0009","27.8069","0.0011","28.5719","0.0009","103.388","0.003","98.656","0.003","115.074","0.004","16443","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","1","0.5","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1572","0.0913","","","0.2478","0.2958","","","","","","1.023","","","","has coordinates","203530","2020-10-21","18:00:00",""
"1548195","17.4882","0.0005","31.3959","0.0007","57.0602","0.0015","78.323","0.002","84.724","0.002","89.6349","0.0019","30548.6","1.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C430 H719 Cr28 Cu F32 N8 Ni4 O134 S2 -","- C429.503 H718.078 Cr28 Cu0.9995 F32 N7.999 Ni4 O134 S2 -","- C859.006 H1436.16 Cr56 Cu1.999 F64 N15.998 Ni8 O268 S4 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.71073","MoKα","","0.229","0.1727","","","0.4375","0.4833","","","","","","1.462","","","","has coordinates,has disorder","203531","2020-10-21","18:00:00",""
"1548196","25.5619","0.0002","25.5619","0.0002","12.5769","0.0002","90","","90","","90","","8217.88","0.16","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0772","0.0678","","","0.1681","0.1759","","","","","","1.05","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548197","13.8114","0.0002","14.0525","0.0002","20.7957","0.0003","90","","90","","90","","4036.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Cl2 N8 O15 Ru -","- C40 H24 Cl2 N8 O15 Ru -","- C160 H96 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54178","CuKα","","0.0462","0.0438","","","0.1168","0.1195","","","","","","1.027","","","","has coordinates","203533","2020-10-21","18:00:00",""
"1548198","13.7734","0.0002","14.0148","0.0002","20.71","0.0003","90","","90","","90","","3997.68","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H18 Cl2 N8 O15 Ru -","- C40 H18 Cl2 N8 O15 Ru -","- C160 H72 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54184","CuKα","","0.0424","0.0409","","","0.1069","0.1084","","","","","","1.032","","","","has coordinates,has disorder","203534","2020-10-21","18:00:00",""
"1548199","25.5802","0.0001","25.5802","0.0001","12.5709","0.0001","90","","90","","90","","8225.73","0.08","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0509","0.0408","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548200","32.2284","0.0004","32.2284","0.0004","38.2801","0.0007","90","","90","","90","","39760.4","1","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","","","0.1199","0.0711","","","0.1898","0.2375","","","","","","1.008","","","","has coordinates","203537","2020-10-21","18:00:00",""
"1548201","32.5722","0.0006","32.5722","0.0006","38.7258","0.0009","90","","90","","90","","41086.1","1.4","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","CuKα","","0.1523","0.0913","","","0.2275","0.268","","","","","","1.038","","","","has coordinates","203538","2020-10-21","18:00:00",""
"1548202","12.153","0.002","15.986","0.003","18.29","0.003","90","","90","","90","","3553.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Co N6 O8 S4 -","- C28 H52 Co N6 O8 S4 -","- C112 H208 Co4 N24 O32 S16 -","4","1","","Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren","A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier","Nature Communications","2016","7","","10467","","10.1038/ncomms10467","","","0.71073","MoKα","","0.0201","0.0193","","","0.0527","0.0531","","","","","","1.032","","","","has coordinates","203539","2020-10-21","18:00:00",""
"1548203","11.8381","0.0009","13.3788","0.001","15.1601","0.0011","91.0206","0.0012","95.2167","0.0012","103.108","0.0012","2327","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Americium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H15 Am N3 O13.5 -","- C21 H12 Am N3 O13.5 -","- C84 H48 Am4 N12 O54 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0494","0.0338","","","0.071","0.0764","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548204","11.8146","0.001","13.3852","0.0012","15.1717","0.0013","90.9375","0.0017","95.3161","0.0017","103.111","0.0017","2324.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Curium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cm N3 O13.3 -","- C21 H12 Cm N3 O13.3 -","- C84 H48 Cm4 N12 O53.2 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0497","0.0306","","","0.0592","0.0645","","","","","","1.018","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548205","11.7542","0.0004","13.4315","0.0005","15.1978","0.0006","91.118","0.0012","95.911","0.0011","103.107","0.0012","2322.17","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Californium(III) 2,6-Pyridinedicarboxylic acid","","","- C21 H12 Cf N3 O13 -","- C21 H12 Cf N3 O13 -","- C84 H48 Cf4 N12 O52 -","4","2","","Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt","Emergence of californium as the second transitional element in the actinide series","Nature Communications","2015","6","","6827","","10.1038/ncomms7827","","","0.71073","MoKα","","0.0503","0.0386","","","0.0896","0.0943","","","","","","1.075","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548208","15.088","0.0004","13.2353","0.0003","18.0221","0.0005","90","","94.414","0.002","90","","3588.23","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0662","0.0607","","","0.1447","0.1479","","","","","","1.009","","","","has coordinates,has disorder","203545","2020-10-21","18:00:00",""
"1548209","15.1029","0.0008","13.2535","0.0006","18.033","0.0009","90","","94.44","0.003","90","","3598.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H54 N14 O41 W12 Zn3 -","- C40 H54 N14 O41 W12 Zn3 -","- C80 H108 N28 O82 W24 Zn6 -","2","1","","Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan","Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins","Nature Communications","2015","6","","10007","","10.1038/ncomms10007","","","0.71073","MoKα","","0.0677","0.0608","","","0.1417","0.1453","","","","","","1.002","","","","has coordinates","203546","2020-10-21","18:00:00",""
"1548210","21.974","0.003","22.685","0.003","24.846","0.002","84.189","0.002","79.598","0.003","69.834","0.003","11425","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H216 Au38 S24 -","- C192 H216 Au38 S24 -","- C384 H432 Au76 S48 -","2","1","","Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin","Structural isomserism in gold nanoparticles revealed by X-ray crystallography","Nature Communications","2015","6","","8667","","10.1038/ncomms9667","","","0.71073","MoKα","","0.0546","0.0349","","","0.0961","0.1064","","","","","","1.045","","","","has coordinates","203547","2020-10-21","18:00:00",""
"1548213","12.4329","0.0002","22.915","0.0004","19.419","0.0005","90","","92.861","0.002","90","","5525.58","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Al2 N6 Te2 -","- C54 H72 Al2 N6 Te2 -","- C216 H288 Al8 N24 Te8 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.1839","0.1777","","","0.4134","0.4164","","","","","","1.059","","","","has coordinates","203598","2020-10-21","18:00:00",""
"1548214","12.2033","0.0004","19.649","0.0007","19.497","0.0006","90","","95.069","0.003","90","","4656.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Al N7 Te -","- C45 H68 Al N7 Te -","- C180 H272 Al4 N28 Te4 -","4","1","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0717","0.0529","","","0.1348","0.1709","","","","","","1.064","","","","has coordinates","203599","2020-10-21","18:00:00",""
"1548215","10.4285","0.0006","12.9619","0.0008","15.2266","0.0007","107.012","0.005","101.576","0.005","104.722","0.005","1817.4","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","- C72 H104 Al2 N10 Te2 -","1","0.5","","Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes","Nature Communications","2015","6","","10037","","10.1038/ncomms10037","","x-ray","1.54184","CuKα","","0.0658","0.0584","","","0.1504","0.1618","","","","","","1.084","","","","has coordinates","203600","2020-10-21","18:00:00",""
"1548216","10.3397","0.0003","15.6399","0.0005","14.9889","0.0004","90","","100.948","0.003","90","","2379.77","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0544","0.0483","","","0.1321","0.1427","","","","","","1.039","","","","has coordinates","203601","2020-10-21","18:00:00",""
"1548217","10.10785","0.00019","17.0515","0.0004","14.7514","0.0003","90","","97.9248","0.0017","90","","2518.18","0.09","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0552","0.0456","","","0.1282","0.1407","","","","","","1.064","","","","has coordinates","203602","2020-10-21","18:00:00",""
"1548218","9.442","0.0003","17.6271","0.0005","14.8977","0.0004","90","","96.085","0.003","90","","2465.53","0.12","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0465","0.0434","","","0.1178","0.1203","","","","","","1.052","","","","has coordinates","203603","2020-10-21","18:00:00",""
"1548219","9.7055","0.00015","17.8498","0.0003","14.7845","0.0003","90","","94.7485","0.0015","90","","2552.49","0.08","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cd N3 O5 -","- C27 H23 Cd N3 O5 -","- C108 H92 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.041","0.0374","","","0.0978","0.1012","","","","","","1.043","","","","has coordinates","203604","2020-10-21","18:00:00",""
"1548220","9.727","0.00018","17.0204","0.0003","15.2959","0.0002","90","","96.8477","0.0017","90","","2514.29","0.07","112","2","112","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.0351","0.0315","","","0.0798","0.0827","","","","","","1.06","","","","has coordinates","203605","2020-10-21","18:00:00",""
"1548221","9.7904","0.00015","17.366","0.0003","15.2569","0.0002","90","","95.4829","0.0013","90","","2582.11","0.07","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cd N3 O5 -","- C28 H25 Cd N3 O5 -","- C112 H100 Cd4 N12 O20 -","4","1","","Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen","Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour","Nature Communications","2015","6","","6917","","10.1038/ncomms7917","","","1.54184","CuKα","","0.035","0.032","","","0.0848","0.0877","","","","","","1.046","","","","has coordinates","203606","2020-10-21","18:00:00",""
"1548222","6.2312","0.0005","5.2898","0.0004","16.469","0.0013","90","","96.772","0.004","90","","539.06","0.07","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C18 H24 I2 N2 O6 -","2","1","","Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo","Supramolecular amplification of amyloid self-assembly by iodination","Nature Communications","2015","6","","7574","","10.1038/ncomms8574","","","0.71073","MoKα","","0.0415","0.0368","","","0.0823","0.084","","","","","","1.111","","","","has coordinates","203607","2020-10-21","18:00:00",""
"1548223","35.403","0.003","18.9578","0.0014","23.171","0.003","90","","130.29","0.003","90","","11862","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.66667 H31.66667 Cl2 Cu N4 -","- C53.6667 H31.6667 Cl2 Cu N4 -","- C644 H380 Cl24 Cu12 N48 -","12","1.5","","Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen","Modulation of the molecular spintronic properties of adsorbed copper corroles","Nature Communications","2015","6","","7547","","10.1038/ncomms8547","","","0.71073","MoKα","","0.0866","0.0526","","","0.1356","0.1574","","","","","","1.02","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548224","12.6748","0.0003","5.3055","0.0001","13.6447","0.0003","90","","106.479","0.0008","90","","879.86","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","The salt of 3,5-dimethoxybenzoic acid (Fdash) and (1R,2S)-norephedrine (T)","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida","Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically","Nature Communications","2015","6","","8418","","10.1038/ncomms9418","","","0.71073","MoKα","","0.0642","0.0496","","","0.1364","0.1484","","","","","","1.068","","","","has coordinates","203609","2020-10-21","18:00:00",""
"1548225","7.6184","0.0003","16.5442","0.0008","18.1572","0.0008","90","","90","","90","","2288.54","0.17","294.9","0.15","294.9","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O2 Si -","- C24 H32 O2 Si -","- C96 H128 O8 Si4 -","4","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0656","0.0489","","","0.1076","0.1184","","","","","","1.054","","","","has coordinates","203610","2020-10-21","18:00:00",""
"1548226","7.2978","0.0006","6.7046","0.0003","11.4419","0.0007","90","","90.391","0.005","90","","559.83","0.06","295.4","0.1","295.4","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C28 H32 O4 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0629","0.0483","","","0.1335","0.1547","","","","","","0.947","","","","has coordinates","203611","2020-10-21","18:00:00",""
"1548227","8.7788","0.001","9.8167","0.0013","10.4098","0.0011","104.353","0.011","109.179","0.01","98.133","0.01","796.13","0.19","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","1.54184","CuKα","","0.05","0.048","","","0.1327","0.135","","","","","","1.044","","","","has coordinates","203612","2020-10-21","18:00:00",""
"1548228","15.2428","0.0011","15.4175","0.0016","21.1538","0.0012","90","","90","","90","","4971.3","0.7","298.06","0.14","298.06","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C224 H288 O32 -","16","4","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.1499","0.0655","","","0.126","0.1695","","","","","","0.937","","","","has coordinates","203613","2020-10-21","18:00:00",""
"1548229","10.501","0.0016","11.9699","0.0015","11.0318","0.0017","90","","109.896","0.005","90","","1303.9","0.3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Br2 I2 O2 S8 -","- C18 H8 Br1.9996 I1.999 O2 S8 -","- C36 H16 Br3.9992 I3.998 O4 S16 -","2","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0316","","","","0.0237","","","","","","1.143","","","","has coordinates","203614","2020-10-21","18:00:00",""
"1548230","7.008","0.002","7.571","0.002","9.696","0.003","111.669","0.01","108.287","0.007","93.393","0.01","444.9","0.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","- C12 H4 Br2 I2 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0365","","","","0.0398","","","","","","0.975","","","","has coordinates","203615","2020-10-21","18:00:00",""
"1548231","8.4688","0.001","8.7721","0.0012","11.6407","0.0016","93.405","0.004","97.351","0.004","91.892","0.005","855.44","0.19","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br3 I O2 S4 -","- C12 H4 Br2.9997 I1.0007 O2 S4 -","- C24 H8 Br5.9994 I2.0014 O4 S8 -","2","1","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.7107","MoKα","","","0.0355","","","","0.033","","","","","","1.021","","","","has coordinates","203616","2020-10-21","18:00:00",""
"1548232","7.0535","0.0015","7.6622","0.0017","9.7173","0.0018","111.757","0.013","107.972","0.009","94.14","0.013","453.5","0.17","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","- C12 H4 Br I3 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68888","synchrotron","","","0.0313","","","","0.0336","","","","","","0.951","","","","has coordinates","203617","2020-10-21","18:00:00",""
"1548233","7.0996","0.0014","7.7287","0.0014","9.7508","0.0016","111.648","0.007","107.843","0.007","94.7","0.008","461.74","0.15","300","1","300","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","- C12 H4 I4 O2 S4 -","1","0.5","","Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura","Quantum ferroelectricity in charge-transfer complex crystals","Nature Communications","2015","6","","7469","","10.1038/ncomms8469","","","0.68889","synchrotron","","","0.0377","","","","0.0399","","","","","","0.85","","","","has coordinates","203618","2020-10-21","18:00:00",""
"1548234","8.9071","0.0002","39.9588","0.001","13.1061","0.0004","90","","109.226","0.001","90","","4404.5","0.2","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H60 N7 O15.7 -","- C36 H60 N7 O15.7 -","- C144 H240 N28 O62.8 -","4","2","","Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit","Formation of functional super-helical assemblies by constrained single heptad repeat","Nature Communications","2015","6","","8615","","10.1038/ncomms9615","","","0.71073","MoKα","","0.0428","0.0419","","","0.1105","0.1113","","","","","","1.074","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548235","12.56","0.03","12.56","0.03","3.944","0.009","90","","90","","120","","539","2","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","1","0.333333","","Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda","Ultrathin inorganic molecular nanowire based on polyoxometalates","Nature Communications","2015","6","","7731","","10.1038/ncomms8731","","","0.78179","Synchrotron","","0.1718","0.0812","","","0.1726","0.2027","","","","","","0.802","","","","has coordinates,has disorder","203620","2020-10-21","18:00:00",""
"1548246","15.99","0.002","28.164","0.004","30.875","0.004","90","","90","","90","","13904","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H140 N4 O12 Si4 -","- C158 H140 N4 O12 Si4 -","- C632 H560 N16 O48 Si16 -","4","1","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.1431","0.1342","","","0.3443","0.352","","","","","","1.125","","","","has coordinates","203679","2020-10-21","18:00:00",""
"1548247","12.65","0.005","30.179","0.011","16.608","0.006","90","","111.13","0.007","90","","5914","4","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76.5 H58 N2 O6 -","- C76.5 H58 N2 O6 -","- C306 H232 N8 O24 -","4","2","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.163","0.1239","","","0.2942","0.3296","","","","","","1.149","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548248","9.9215","0.0005","11.522","0.0005","17.8122","0.0009","104.475","0.001","93.873","0.001","108.095","0.001","1850.6","0.16","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H51 N -","- C50 H51 N -","- C100 H102 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0464","0.0433","","","0.1189","0.1231","","","","","","1.017","","","","has coordinates","203681","2020-10-21","18:00:00",""
"1548249","11.6888","0.0011","15.2279","0.0014","16.1361","0.0016","94.96","0.003","111.005","0.003","103.447","0.002","2561.8","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H58 Br3 Cl5 N -","- C55 H58 Br3 Cl5 N -","- C110 H116 Br6 Cl10 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71073","MoKα","","0.0698","0.06","","","0.1471","0.1553","","","","","","1.087","","","","has coordinates,has disorder","203682","2020-10-21","18:00:00",""
"1548250","13.17","0.005","34.623","0.014","36.534","0.014","90","","90","","90","","16659","11","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50.75 H48.5 Cl0.75 N -","- C50.75 H48.5 Cl0.75 N -","- C812 H776 Cl12 N16 -","16","2","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.1835","0.0917","","","0.2105","0.2952","","","","","","1.08","","","","has coordinates","203683","2020-10-21","18:00:00",""
"1548251","13.462","0.014","14.743","0.015","18.096","0.019","98.297","0.017","101.322","0.014","97.33","0.02","3439","6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C112.5 H47 Cl N O0 -","- C112.5 H47 Cl N -","- C225 H94 Cl2 N2 -","2","1","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.2881","0.1987","","","0.4846","0.5325","","","","","","1.299","","","","has coordinates,has disorder","203684","2020-10-21","18:00:00",""
"1548252","15.4348","0.0012","7.2594","0.0006","24.961","0.002","90","","93.585","0.003","90","","2791.3","0.4","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O5 S2 Si2 -","- C25 H28 O5 S2 Si2 -","- C100 H112 O20 S8 Si8 -","4","1","","Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen","Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments","Nature Communications","2015","6","","10233","","10.1038/ncomms10233","","","0.71073","MoKα","","0.0661","0.0516","","","0.1132","0.1189","","","","","","1.123","","","","has coordinates","203685","2020-10-21","18:00:00",""
"1548253","9.19","0.001","30.098","0.003","10.4179","0.0011","90","","102.688","0.003","90","","2811.2","0.5","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H32 B2 N4 -","- C35 H32 B2 N4 -","- C140 H128 B8 N16 -","4","2","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0926","0.0665","","","0.1485","0.1648","","","","","","1.009","","","","has coordinates","203686","2020-10-21","18:00:00",""
"1548254","7.4966","0.0007","14.1674","0.0014","26.033","0.002","90","","95.734","0.003","90","","2751.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H29 B2 Br N4 -","- C31.5 H29 B2 Br N4 -","- C126 H116 B8 Br4 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0992","0.0546","","","0.0985","0.1113","","","","","","1.064","","","","has coordinates,has disorder","203687","2020-10-21","18:00:00",""
"1548255","7.5717","0.0011","13.808","0.002","27.35","0.004","90","","96.647","0.005","90","","2840.2","0.7","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B2 Cl N5 O -","- C31 H32 B2 Cl N5 O -","- C124 H128 B8 Cl4 N20 O4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.137","0.0695","","","0.1359","0.1643","","","","","","1.024","","","","has coordinates","203688","2020-10-21","18:00:00",""
"1548256","6.7243","0.0002","8.4506","0.0004","9.7798","0.0004","76.647","0.003","85.978","0.002","66.7788","0.0019","496.77","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","1","0.5","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0722","0.0475","","","0.1146","0.1259","","","","","","1.025","","","","has coordinates","203689","2020-10-21","18:00:00",""
"1548257","28.875","0.004","8.473","0.0015","19.549","0.003","90","","132.202","0.004","90","","3543","1","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B2 N4 -","- C20 H20 B2 N4 -","- C160 H160 B16 N32 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0913","0.0538","","","0.1094","0.1261","","","","","","1.015","","","","has coordinates","203690","2020-10-21","18:00:00",""
"1548258","7.2251","0.0007","14.5333","0.0012","22.5468","0.0019","90","","91.921","0.005","90","","2366.2","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B2 F3 N4 O3 S -","- C22 H23 B2 F3 N4 O3 S -","- C88 H92 B8 F12 N16 O12 S4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1568","0.0757","","","0.1838","0.2325","","","","","","1.016","","","","has coordinates","203691","2020-10-21","18:00:00",""
"1548259","29.987","0.003","7.0147","0.0007","25.999","0.003","90","","110.164","0.004","90","","5133.7","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 B3 N4 O2 -","- C26 H33 B3 N4 O2 -","- C208 H264 B24 N32 O16 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1059","0.0544","","","0.1129","0.1375","","","","","","1.019","","","","has coordinates","203692","2020-10-21","18:00:00",""
"1548260","20.534","0.008","18.455","0.007","7.417","0.003","90","","94.979","0.009","90","","2800.1","1.9","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 N4 Si -","- C32 H32 B2 N4 Si -","- C128 H128 B8 N16 Si4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1793","0.0752","","","0.1387","0.1811","","","","","","0.989","","","","has coordinates","203693","2020-10-21","18:00:00",""
"1548261","8.115","0.0008","13.162","0.0013","16.232","0.0016","106.603","0.003","102.639","0.003","104.799","0.003","1524.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 B2 F2 N4 P -","- C35 H32 B2 F2 N4 P -","- C70 H64 B4 F4 N8 P2 -","2","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1264","0.0635","","","0.1222","0.1462","","","","","","1.037","","","","has coordinates","203694","2020-10-21","18:00:00",""
"1548262","15.071","0.005","8.378","0.003","14.966","0.005","90","","90","","90","","1889.7","1.1","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 B2 N4 O2 -","- C21 H20 B2 N4 O2 -","- C84 H80 B8 N16 O8 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.2159","0.0847","","","0.146","0.1894","","","","","","1.013","","","","has coordinates,has disorder","203695","2020-10-21","18:00:00",""
"1548263","8.2613","0.0014","23.616","0.004","12.724","0.003","90","","106.778","0.005","90","","2376.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 N4 -","- C28 H28 B2 N4 -","- C112 H112 B8 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1287","0.063","","","0.1307","0.1594","","","","","","1.008","","","","has coordinates","203696","2020-10-21","18:00:00",""
"1548264","17.9257","0.0003","17.9257","0.0003","28.0627","0.0007","90","","90","","90","","9017.4","0.3","100","0.1","100","0.1","","","","","","","","4","P 42/n n m","-P 4ac 2bc","134","","","","- C11.5 H7.5 Cu O5.5 -","- C11.5 H6 Cu O5.5 -","- C184 H96 Cu16 O88 -","16","","","Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong","A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions","Nature Communications","2015","6","","7575","","10.1038/ncomms8575","","","1.54184","CuKα","","0.0648","0.0488","","","0.1206","0.1255","","","","","","1.002","","","","has coordinates","203697","2020-10-21","18:00:00",""
"1548265","9.205","0.003","10.74","0.003","13.922","0.004","82.773","0.009","76.229","0.009","74.293","0.009","1284.1","0.7","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 B2 Cl2 N2 O2 -","- C25 H29 B2 Cl2 N2 O2 -","- C50 H58 B4 Cl4 N4 O4 -","2","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1317","0.063","","","0.1772","0.2137","","","","","","1.016","","","","has coordinates,has disorder","203698","2020-10-21","18:00:00",""
"1548266","9.3775","0.0015","22.196","0.004","9.432","0.0015","90","","90","","90","","1963.2","0.6","103","2","103","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H26 B2 N2 O2 -","- C22 H26 B2 N2 O2 -","- C88 H104 B8 N8 O8 -","4","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1309","0.0672","","","0.1783","0.2035","","","","","","0.848","","","","has coordinates,has disorder","203699","2020-10-21","18:00:00",""
"1548267","10.8994","0.001","13.3303","0.0014","14.0182","0.0013","98.334","0.004","90.656","0.004","109.608","0.004","1894.4","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","- C78 H83 B4 F11 N4 O10 S2 -","1","0.5","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.171","0.079","","","0.173","0.2145","","","","","","1.017","","","","has coordinates,has disorder","203700","2020-10-21","18:00:00",""
"1548268","11.3572","0.0009","9.8183","0.0008","27.031","0.002","90","","96.547","0.004","90","","2994.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H39.5 B2 N2 O2.75 -","- C34.5 H39.5 B2 N2 O2.75 -","- C138 H158 B8 N8 O11 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1184","0.0689","","","0.1821","0.2237","","","","","","1.007","","","","has coordinates,has disorder","203701","2020-10-21","18:00:00",""
"1548269","13.017","0.0016","6.3932","0.0008","27.756","0.003","90","","99.795","0.004","90","","2276.2","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H27 B2 Cl N2 O4 -","- C23.5 H27 B2 Cl N2 O4 -","- C94 H108 B8 Cl4 N8 O16 -","4","1","","Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo","1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres","Nature Communications","2015","6","","7340","","10.1038/ncomms8340","","","0.71073","MoKα","","0.1746","0.073","","","0.1601","0.2232","","","","","","1.053","","","","has coordinates,has disorder","203702","2020-10-21","18:00:00",""
"1548270","22.535","0.014","5.356","0.003","16.749","0.011","90","","98.687","0.009","90","","1998","2","173.15","","173.15","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang","Positioning and joining of organic single-crystalline wires","Nature Communications","2015","6","","6737","","10.1038/ncomms7737","","","0.71073","MoKα","","0.0748","0.0676","","","0.1372","0.1411","","","","","","1.239","","","","has coordinates","203703","2020-10-21","18:00:00",""
"1548271","30.8314","0.0016","30.8314","0.0016","30.8314","0.0016","90","","90","","90","","29308","3","295","2","300","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H492 B24 F18 Fe42 N240 O60 S6 -","- C450.012 H408 B24 F18 Fe42 N240 O59.904 S6 -","- C900.024 H816 B48 F36 Fe84 N480 O119.808 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6202","synchrotron","","0.1243","0.0722","","","0.2085","0.2391","","","","","","1.034","","","","has coordinates,has disorder","203704","2020-10-21","18:00:00",""
"1548272","30.7679","0.0013","30.7679","0.0013","30.7679","0.0013","90","","90","","90","","29127","2","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C450 H548 B24 F18 Fe42 N240 O88 S6 -","- C450 H408 B24 F18 Fe42 N240 O88.024 S6 -","- C900 H816 B48 F36 Fe84 N480 O176.048 S12 -","2","0.0416667","","Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato","A ferromagnetically coupled Fe42 cyanide-bridged nanocage","Nature Communications","2015","6","","5955","","10.1038/ncomms6955","","","0.6186","synchrotron","","0.0951","0.0848","","","0.2058","0.2121","","","","","","1.149","","","","has coordinates,has disorder","203705","2020-10-21","18:00:00",""
"1548273","12.1905","0.0011","14.4177","0.0013","20.4894","0.0019","90","","90","","90","","3601.2","0.6","100.33","0.1","100.33","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H5 Cu N5 O4 -","- C9 H5 Cu N5 O4 -","- C72 H40 Cu8 N40 O32 -","8","1","","Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen","Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures","Nature Communications","2015","6","","7328","","10.1038/ncomms8328","","x-ray","1.54184","CuKα","","0.1106","0.0871","","","0.2303","0.2569","","","","","","0.961","","","","has coordinates","203706","2020-10-21","18:00:00",""
"1548274","18.3769","0.0004","16.7983","0.0004","18.7409","0.0005","90","","107.372","0.003","90","","5521.4","0.2","107","4","107","4","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H42 B Cl0.25 F24 Na O9 -","- C48 H42 B F24 Na O9 -","- C192 H168 B4 F96 Na4 O36 -","4","0.5","","Rene-Chris Brachvogel; Frank Hampel; Max von Delius","Self-assembly of dynamic orthoester cryptates","Nature Communications","2015","6","","7129","","10.1038/ncomms8129","","x-ray","1.54184","CuKα","","0.0881","0.0667","","","0.1748","0.1934","","","","","","1.074","","","","has coordinates,has disorder","203707","2020-10-21","18:00:00",""
"1548275","22.2003","0.0019","7.3575","0.0007","15.5257","0.0012","90","","130.588","0.0018","90","","1925.8","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mg2 N2 O10 -","- C18 H20 Mg2 N2 O10 -","- C72 H80 Mg8 N8 O40 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.062","","","","0.227","","","","","","1.139","","","","has coordinates","203708","2020-10-21","18:00:00",""
"1548276","18.2716","0.0009","17.2585","0.0009","13.5539","0.0007","90","","129.666","0.0013","90","","3290.1","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","","0.0556","","","","0.1635","","","","","","1.049","","","","has coordinates","203709","2020-10-21","18:00:00",""
"1548277","21.47","0.03","19.39","0.03","10.099","0.014","90","","119.867","0.016","90","","3646","9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Ca2 N5 O13 -","- C39 H31 Ca2 N5 O13 -","- C156 H124 Ca8 N20 O52 -","4","0.5","","Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura","Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand","Nature Communications","2015","6","","5851","","10.1038/ncomms6851","","","0.71075","MoKα","","0.1505","0.0984","","","0.2782","0.3305","","","","","","1.103","","","","has coordinates,has disorder","203710","2020-10-21","18:00:00",""
"1548294","4.6598","0.0001","11.2839","0.0003","12.0321","0.0003","115.307","0.002","97.601","0.002","94.255","0.002","560.85","0.03","100","0.2","100","0.2","","","","","","","","4","P 1","P 1","1","","","","- C27 H26 O5 S -","- C27 H26 O5 S -","- C27 H26 O5 S -","1","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.0318","0.0278","","","0.0573","0.0591","","","","","","1.029","","","","has coordinates","203756","2020-10-21","18:00:00",""
"1548295","13.673","0.0011","7.849","0.0008","18.491","0.0018","90","","95.18","0.008","90","","1976.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H50 O6 S -","- C48 H50 O6 S -","- C96 H100 O12 S2 -","2","1","","Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung","Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity","Nature Communications","2015","6","","7239","","10.1038/ncomms8239","","","0.71073","MoKα","","0.1134","0.0626","","","0.1107","0.1377","","","","","","1.049","","","","has coordinates","203757","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","203758","2020-10-21","18:00:00",""
"1548297","9.859","0.004","18.123","0.007","13.451","0.005","90","","110.728","0.005","90","","2247.8","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 B2 O2 -","- C24 H34 B2 O2 -","- C96 H136 B8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0868","0.061","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates,has disorder","203759","2020-10-21","18:00:00",""
"1548298","15.238","0.005","10.705","0.004","16.004","0.006","90","","107.762","0.005","90","","2486.2","1.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0871","0.0648","","","0.145","0.1631","","","","","","1.208","","","","has coordinates","203760","2020-10-21","18:00:00",""
"1548299","9.278","0.003","10.2","0.003","16.057","0.005","71.907","0.012","83.574","0.015","68.113","0.012","1340.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H43 B2 N O2 -","- C29 H43 B2 N O2 -","- C58 H86 B4 N2 O4 -","2","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0976","0.0659","","","0.1219","0.1346","","","","","","1.046","","","","has coordinates","203761","2020-10-21","18:00:00",""
"1548300","12.796","0.004","18.047","0.005","15.325","0.005","90","","110.858","0.004","90","","3307.1","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0899","0.0635","","","0.123","0.1367","","","","","","1.088","","","","has coordinates","203763","2020-10-21","18:00:00",""
"1548301","13.923","0.006","15.76","0.006","15.026","0.005","90","","92.731","0.009","90","","3293","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.1204","0.0743","","","0.1687","0.1986","","","","","","1.035","","","","has coordinates","203764","2020-10-21","18:00:00",""
"1548302","10.511","0.0009","20.522","0.0018","35.439","0.003","90","","94.2797","0.0013","90","","7623.1","1.1","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C158 H152 B2 F48 Pd10 -","- C158 H152 B2 F48 Pd10 -","- C316 H304 B4 F96 Pd20 -","2","0.5","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.0447","0.0409","","","0.1","0.1029","","","","","","1.065","","","","has coordinates","203765","2020-10-21","18:00:00",""
"1548303","19.4381","0.0011","21.7533","0.0012","22.0547","0.0013","86.871","0.001","84.951","0.001","66.93","0.001","8544.5","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H146 B2 F48 O2 Pd10 -","- C144 H136 B2 F48 Pd10 -","- C288 H272 B4 F96 Pd20 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1524","0.0878","","","0.2325","0.2673","","","","","","0.878","","","","has coordinates","203766","2020-10-21","18:00:00",""
"1548304","17.1352","0.0006","20.7763","0.0007","23.2367","0.0009","104.581","0.0008","90.8059","0.0008","105.76","0.0007","7674.7","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 -","- C162 H154 B2 F48 Pd5 -","- C324 H308 B4 F96 Pd10 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1315","0.0792","","","0.2145","0.2511","","","","","","1.095","","","","has coordinates","203767","2020-10-21","18:00:00",""
"1548305","17.1345","0.0016","20.7478","0.0018","23.226","0.002","104.412","0.0013","90.6725","0.0015","105.167","0.0015","7692.4","1.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd7 -","- C162 H154 B2 F48 Pd7 -","- C324 H308 B4 F96 Pd14 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1378","0.0853","","","0.2295","0.2676","","","","","","1.103","","","","has coordinates","203768","2020-10-21","18:00:00",""
"1548306","17.0309","0.0012","20.8251","0.0015","23.3934","0.0017","75.2877","0.0014","89.9715","0.0013","74.2761","0.0012","7703.8","1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H154 B2 F48 Pd5 Pt3 -","- C162 H154 B2 F48 Pd5 Pt3 -","- C324 H308 B4 F96 Pd10 Pt6 -","2","1","","Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi","Multinuclear metal-binding ability of a carotene","Nature Communications","2015","6","","6742","","10.1038/ncomms7742","","","0.71075","MoKα","","0.1904","0.0976","","","0.257","0.3241","","","","","","0.982","","","","has coordinates","203769","2020-10-21","18:00:00",""
"1548307","8.4508","0.0004","41.4961","0.0016","8.07","0.0003","90","","94.122","0.004","90","","2822.6","0.2","100","2","100.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 B F2 N3 P -","- C31 H37 B F2 N3 P -","- C124 H148 B4 F8 N12 P4 -","4","1","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.1133","0.0838","","","0.2054","0.2168","","","","","","1.096","","","","has coordinates","203770","2020-10-21","18:00:00",""
"1548308","28.4395","0.0015","18.7648","0.0011","16.3621","0.0009","90","","123.051","0.003","90","","7318.9","0.7","100","2","100.05","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H70 N4 P2 S2 Zn -","- C80 H70 N4 P2 S2 Zn -","- C320 H280 N16 P8 S8 Zn4 -","4","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.0608","0.0541","","","0.1604","0.1661","","","","","","1.087","","","","has coordinates","203771","2020-10-21","18:00:00",""
"1548309","15.6349","0.0009","18.4356","0.0012","21.753","0.0015","107.517","0.004","110.288","0.004","96.416","0.004","5442.2","0.7","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","- C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn -","1","0.5","","Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin","An allosteric photoredox catalyst inspired by photosynthetic machinery","Nature Communications","2015","6","","6541","","10.1038/ncomms7541","","","1.54178","CuKα","","0.194","0.1434","","","0.3731","0.4064","","","","","","1.333","","","","has coordinates,has disorder","203772","2020-10-21","18:00:00",""
"1548310","6.9186","0.0002","6.9186","0.0002","7.9061","0.0003","90","","90","","90","","378.44","0.02","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","1","0.0625","","Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed","Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture","Nature Communications","2014","5","","4228","","10.1038/ncomms5228","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1628","20.7","","","","","","","has coordinates","210525","2020-10-21","18:00:00",""
"1548311","23.7146","0.0012","23.7146","0.0012","19.1834","0.0011","90","","90","","120","","9343","0.9","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H56 K Mo10 N O42 S10 -","- C9 K1.00333 Mo10 N0.996667 O41.6867 S10 -","- C54 K6.02 Mo60 N5.98 O250.12 S60 -","6","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0292","0.0247","","","0.071","0.075","","","","","","1.079","","","","has coordinates","203774","2020-10-21","18:00:00",""
"1548312","11.2207","0.0003","22.4613","0.0008","16.9237","0.0006","90","","105.662","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 K10 Mo14 O80 S2 -","- C26 K10 Mo14 O80 S2 -","- C52 K20 Mo28 O160 S4 -","2","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0195","0.0191","","","0.0515","0.0517","","","","","","1.034","","","","has coordinates","203775","2020-10-21","18:00:00",""
"1548313","20.8518","0.0005","28.0652","0.0006","32.415","0.0008","90","","104.793","0.001","90","","18340.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C56 H236 K18 Mo60 N4 O261 S36 -","- C55 K15.2 Mo60 N4 O241.7 S36 -","- C110 K30.4 Mo120 N8 O483.4 S72 -","2","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0783","0.0507","","","0.1351","0.1562","","","","","","1.056","","","","has coordinates","203776","2020-10-21","18:00:00",""
"1548314","26.0429","0.0007","29.3416","0.0008","47.0393","0.0013","90","","90.04","0.002","90","","35944.6","1.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36 -","- C32.5 I K10 Mo48 N3 O218.8 S36 -","- C130 I4 K40 Mo192 N12 O875.2 S144 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0821","0.0544","","","0.1398","0.1623","","","","","","1.039","","","","has coordinates","203777","2020-10-21","18:00:00",""
"1548315","26.515","0.002","44.264","0.003","17.7362","0.0014","90","","90","","90","","20816","3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H126 K14 Mo34 O148 S24 -","- C20 K13.6 Mo34 O147.01 S24 -","- C80 K54.4 Mo136 O588.04 S96 -","4","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1338","0.1173","","","0.2478","0.2556","","","","","","1.223","","","","has coordinates","203778","2020-10-21","18:00:00",""
"1548316","30.5759","0.0009","17.0735","0.0005","38.4463","0.0012","90","","113.034","0.002","90","","18470.3","1","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C61 H141 K8 Mo18 N7 O99 S18 -","- C47.3 K8 Mo18 N4 O98.9 S18 -","- C189.2 K32 Mo72 N16 O395.6 S72 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1126","0.0711","","","0.1831","0.2152","","","","","","1.029","","","","has coordinates","203779","2020-10-21","18:00:00",""
"1548317","6.991","0.005","10.778","0.005","15.575","0.005","90","","90","","90","","1173.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cu N4 O5 -","- C8 H12 Cu N4 O5 -","- C32 H48 Cu4 N16 O20 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1272","0.069","","","0.1471","0.1805","","","","","","0.913","","","","has coordinates","203780","2020-10-21","18:00:00",""
"1548318","8.768","0.005","15.22","0.005","18.86","0.005","90","","90","","90","","2516.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1234","0.0926","","","0.2144","0.2404","","","","","","1.037","","","","has coordinates","203781","2020-10-21","18:00:00",""
"1548319","36.2479","0.001","36.2479","0.001","17.0202","0.0005","90","","90","","120","","19366.9","0.9","198","","198","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32.33 H61.67 Cl2 Mo N2 O2.33 P2 -","- C31 H43 Cl2 Mo N2 O3.3334 P2 -","- C558 H774 Cl36 Mo18 N36 O60.0012 P36 -","18","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.079","","","","0.1725","","","","","","1","","","","has coordinates","203782","2020-10-21","18:00:00",""
"1548320","16.3159","0.0005","16.3159","0.0005","19.6989","0.0005","90","","90","","120","","4541.5","0.2","198","","198","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H44.33 Cl Mo N2 P2 -","- C24.3332 H43 Cl Mo N2 P2 -","- C145.999 H258 Cl6 Mo6 N12 P12 -","6","0.5","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.1103","","","","0.2165","","","","","","1","","","","has coordinates","203783","2020-10-21","18:00:00",""
"1548321","33.3044","0.0007","15.2043","0.0003","13.0074","0.0003","90","","109.784","0.0007","90","","6197.8","0.2","183","","183","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C192 H344 Cl8 F24 Mo8 N16 O24 P16 S8 -","8","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0516","","","","0.105","","","","","","1.029","","","","has coordinates","203784","2020-10-21","18:00:00",""
"1548322","16.4904","0.0004","16.7621","0.0003","16.772","0.0004","90","","119.077","0.0007","90","","4051.71","0.16","198","","198","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C132 H228 Cl4 F12 Mo4 N12 O16 P8 S4 -","4","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0449","","","","0.0718","","","","","","1","","","","has coordinates","203785","2020-10-21","18:00:00",""
"1548323","9.1469","0.0018","10.368","0.002","12.092","0.002","86.48","0.03","88.75","0.03","75.41","0.03","1107.6","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 Cl18 S4 -","- C44 Cl18 S4 -","- C44 Cl18 S4 -","1","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54178","CuKα","","0.1578","0.091","","","0.2284","0.2833","","","","","","1.066","","","","has coordinates","203786","2020-10-21","18:00:00",""
"1548324","12.861","0.002","28.435","0.004","10.629","0.003","90","","97.155","0.018","90","","3856.8","1.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 Cl18 -","- C48 Cl18 -","- C192 Cl72 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0988","0.0825","","","0.239","0.2542","","","","","","1.143","","","","has coordinates","203787","2020-10-21","18:00:00",""
"1548325","27.683","0.006","21.998","0.004","21.006","0.004","90","","91.15","0.03","90","","12789","4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl22 -","- C60 Cl22 -","- C480 Cl176 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","0.71073","MoKα","","0.0978","0.0651","","","0.1289","0.1397","","","","","","0.925","","","","has coordinates","203788","2020-10-21","18:00:00",""
"1548326","20.4128","0.0007","22.9777","0.0006","15.0794","0.0005","90","","108.949","0.004","90","","6689.5","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl24 -","- C60 Cl24 -","- C240 Cl96 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0479","0.0369","","","0.0908","0.0959","","","","","","0.994","","","","has coordinates","203789","2020-10-21","18:00:00",""
"1548327","36.715","0.004","22.1591","0.0012","24.607","0.003","90","","116.242","0.014","90","","17956","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C96 H3 Cl27 -","- C96 H3 Cl27 -","- C768 H24 Cl216 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.1245","0.062","","","0.1431","0.1681","","","","","","0.811","","","","has coordinates","203790","2020-10-21","18:00:00",""
"1548329","23.7764","0.0005","14.2049","0.0006","16.3214","0.0004","90","","90","","90","","5512.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H120 Au Br4 K O68 -","- C72 H120 Au Br4 K O68 -","- C144 H240 Au2 Br8 K2 O136 -","2","0.5","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.1097","0.1072","","","0.2817","0.2835","","","","","","1.129","","","","has coordinates","203814","2020-10-21","18:00:00",""
"1548330","16.2732","0.0009","14.186","0.0008","23.6996","0.0012","90","","90.041","0.004","90","","5471.1","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H115 Au Cl4 K O68 -","- C72 H115 Au Cl4 K O68 -","- C144 H230 Au2 Cl8 K2 O136 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1064","0.0674","","","0.1694","0.1867","","","","","","0.987","","","","has coordinates,has disorder","203815","2020-10-21","18:00:00",""
"1548331","15.8246","0.0004","24.5009","0.0006","19.0924","0.0005","90","","108.401","0.001","90","","7024","0.3","109","2","109.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H143 Au Br4 K O72 -","- C84 H143 Au Br4 K O72 -","- C168 H286 Au2 Br8 K2 O144 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0829","0.08","","","0.218","0.2225","","","","","","1.032","","","","has coordinates,has disorder","203816","2020-10-21","18:00:00",""
"1548332","15.7337","0.0003","24.3445","0.0005","19.2645","0.0004","90","","108.748","0.001","90","","6987.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H134 Au0.79 Cl3.36 K O92 -","- C84 H134 Au0.786 Cl3.3586 K O92 -","- C168 H268 Au1.572 Cl6.7172 K2 O184 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.0618","0.0601","","","0.1614","0.163","","","","","","1.058","","","","has coordinates,has disorder","203817","2020-10-21","18:00:00",""
"1548333","23.6711","0.0011","23.6711","","22.7697","0.0014","90","","90","","90","","12758.3","1","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Br4 O124 -","- C144 H240 Au Br4 O124 -","- C288 H480 Au2 Br8 O248 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1909","0.0822","","","0.2141","0.2461","","","","","","0.832","","","","has coordinates","203818","2020-10-21","18:00:00",""
"1548334","23.6973","0.0003","23.6973","0.0003","22.8929","0.0004","90","","90","","90","","12855.8","0.3","100","2","100.01","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Cl4 O120 -","- C144 H240 Au Cl4 O120 -","- C288 H480 Au2 Cl8 O240 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0615","0.0542","","","0.1643","0.1696","","","","","","1.061","","","","has coordinates,has disorder","203819","2020-10-21","18:00:00",""
"1548335","17","0.0011","17","0.0011","17","0.0011","90","","90","","90","","4913","0.6","135","2","135","2","","","","","","","synthesis as described","5","I -4 3 m","I -4 2 3","217","","NOF-1","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0747","0.0746","","","0.1731","0.1731","","","","","","1.231","","","","has coordinates","203820","2020-10-21","18:00:00",""
"1548336","23.132","0.003","23.132","0.003","15.528","0.003","90","","90","","120","","7195.7","1.9","243","2","243","2","","","","","","","synthesis as described","5","R -3 m :H","-R 3 2""","166","","NOF-2 ?","","- C8 H8 N6 O4 Zn -","- C8 H8 N6 O4 Zn -","- C144 H144 N108 O72 Zn18 -","18","0.5","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.710735","MoKα","","0.0589","0.0577","","","0.1767","0.1777","","","","","","1.143","","","","has coordinates,has disorder","203821","2020-10-21","18:00:00",""
"1548337","14.268","0.003","4.5707","0.0011","10.746","0.003","90","","90","","90","","700.8","0.3","123","2","123","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","NOF-3","","- C4 H3 N3 O4 Zn -","- C4 H3 N3 O4 Zn -","- C16 H12 N12 O16 Zn4 -","4","1","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0175","0.0172","","","0.0465","0.0468","","","","","","1.075","","","","has coordinates","203822","2020-10-21","18:00:00",""
"1548338","38.527","0.002","38.527","0.002","38.527","0.002","90","","90","","90","","57187","5","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C108 H36 Cd6 Cl3 N24 O48 -","- C108 H36 Cd6 Cl3 N24 O48 -","- C864 H288 Cd48 Cl24 N192 O384 -","8","0.0416667","","Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li","Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation","Nature Communications","2013","3","","2717","","10.1038/ncomms3717","","","0.71073","MoKα","","0.0908","0.0776","","","0.2192","0.2339","","","","","","1.042","","","","has coordinates,has disorder","203823","2020-10-21","18:00:00",""
"1548364","9.7625","0.0004","10.5921","0.0003","14.2369","0.0005","76.453","0.003","73.12","0.003","67.988","0.003","1292.94","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N4 O3 Pd -","- C31 H21 N4 O3 Pd -","- C62 H42 N8 O6 Pd2 -","2","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.057","0.0508","","","0.1118","0.1143","","","","","","1.194","","","","has coordinates,has disorder","203927","2020-10-21","18:00:00",""
"1548365","7.7318","0.0004","14.2451","0.0008","21.9203","0.0017","90","","90","","90","","2414.3","0.3","170.5","","170.5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N3 O5 -","- C29 H23 N3 O5 -","- C116 H92 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0591","0.0414","","","0.0932","0.1079","","","","","","1.124","","","","has coordinates","203928","2020-10-21","18:00:00",""
"1548366","7.6735","0.0005","14.4087","0.0011","21.653","0.002","90","","90","","90","","2394.1","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N3 O5 -","- C28 H21 N3 O5 -","- C112 H84 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0558","0.04","","","0.0937","0.1024","","","","","","1.037","","","","has coordinates","203929","2020-10-21","18:00:00",""
"1548367","7.7205","0.0004","14.332","0.0009","22.282","0.001","90","","90","","90","","2465.5","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F N3 O5 -","- C29 H22 F N3 O5 -","- C116 H88 F4 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0512","0.0369","","","0.0878","0.0983","","","","","","1.057","","","","has coordinates","203930","2020-10-21","18:00:00",""
"1548368","10.4773","0.0006","11.3275","0.0006","15.9059","0.0008","90","","90","","90","","1887.74","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O5 -","- C22 H17 N3 O5 -","- C88 H68 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0441","0.0337","","","0.079","0.0847","","","","","","1.05","","","","has coordinates","203931","2020-10-21","18:00:00",""
"1548369","26.009","0.004","26.009","0.004","9.8065","0.0017","90","","90","","120","","5745","1.6","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","[Th3(bptc)3(O)(H2O)3.78][(Cl)(C5H14N3Cl)(H2O)8]","","","- C15 H7 O7.59 Th -","- C15 H7 O7.59333 Th -","- C90 H42 O45.56 Th6 -","6","0.5","","Yuxiang Li; Zaixing Yang; Yanlong Wang; Zhuanling Bai; Tao Zheng; Xing Dai; Shengtang Liu; Daxiang Gui; Wei Liu; Meng Chen; Lanhua Chen; Juan Diwu; Lingyan Zhu; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang","A mesoporous cationic thorium-organic framework that rapidly traps anionic persistent organic pollutants","Nature Communications","2017","8","","1354","","10.1038/s41467-017-01208-w","","","0.71073","MoKα","","0.0777","0.0764","","","0.1895","0.1903","","","","","","1.103","","","","has coordinates,has disorder","203932","2020-10-21","18:00:00",""
"1548370","20.8082","0.0004","24.0721","0.0004","26.2995","0.0004","80.2288","0.0013","72.5101","0.0015","75.3058","0.0015","12090.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","(CCCC)-1&(AAAA)-1","","","- C228 H288 N12 -","- C228 H287.999 N12 -","- C456 H575.999 N24 -","2","1","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.1089","0.0955","","","0.2889","0.3075","","","","","","1.098","","","","has coordinates,has disorder","203933","2020-10-21","18:00:00",""
"1548371","23.3017","0.0003","23.3017","0.0003","51.4329","0.0007","90","","90","","120","","24185","0.5","100","2","100.15","","","","","","","","","3","R 3","R 3","146","(AAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54178","CuKα","","0.1069","0.096","","","0.2428","0.2551","","","","","","0.982","","","","has coordinates,has disorder","203934","2020-10-21","18:00:00",""
"1548372","23.1134","0.0009","23.1134","0.0009","52.322","0.003","90","","90","","120","","24207.1","1.9","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0823","0.0696","","","0.1906","0.2059","","","","","","0.935","","","","has coordinates,has disorder","203935","2020-10-21","18:00:00",""
"1548373","23.121","0.002","23.121","0.002","51.666","0.002","90","","90","","120","","23919","3","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CCCC)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","x-ray","1.54184","CuKα","","0.1038","0.0725","","","0.1663","0.185","","","","","","0.811","","","","has coordinates,has disorder","203936","2020-10-21","18:00:00",""
"1548374","23.2072","0.0006","23.2072","0.0006","52.1786","0.0011","90","","90","","120","","24337.1","1","100.15","","100.15","","","","","","","","","3","R 3","R 3","146","(CCCA)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0763","0.0646","","","0.1752","0.1855","","","","","","0.941","","","","has coordinates,has disorder","203937","2020-10-21","18:00:00",""
"1548375","22.4857","0.0003","22.4857","0.0003","11.0509","0.0002","90","","90","","120","","4838.84","0.13","100","2","100","0.4","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H18 Cu3 N18 O15 -","- C36 H18 Cu3 N18 O15 -","- C108 H54 Cu9 N54 O45 -","3","0.166667","","Linfeng Liang; Caiping Liu; Feilong Jiang; Qihui Chen; Linjie Zhang; Hui Xue; Hai-Long Jiang; Jinjie Qian; Daqiang Yuan; Maochun Hong","Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework","Nature Communications","2017","8","","1233","","10.1038/s41467-017-01166-3","","","1.54184","CuKα","","0.065","0.0584","","","0.1757","0.1845","","","","","","1.121","","","","has coordinates,has disorder","203938","2020-10-21","18:00:00",""
"1548398","33.9594","0.0019","8.3689","0.0005","19.1807","0.0011","90","","96.408","0.002","90","","5417.2","0.5","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C256 H232 Cl8 N16 O32 S8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1466","0.0595","","","0.1126","0.1517","","","","","","1.022","","","","has coordinates","204072","2020-10-21","18:00:00",""
"1548399","8.9003","0.0003","13.1778","0.0004","13.2084","0.0004","108.296","0.001","102.628","0.001","99.444","0.001","1389.26","0.08","","","160.01","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C64 H58 Cl2 N4 O8 S2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.057","0.0466","","","0.0972","0.1025","","","","","","1.092","","","","has coordinates","204073","2020-10-21","18:00:00",""
"1548400","9.6736","0.0007","12.6142","0.0009","12.7109","0.0009","108.99","0.002","99.303","0.002","96.865","0.002","1422.5","0.18","","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br N2 O5 P -","- C29 H32 Br N2 O5 P -","- C58 H64 Br2 N4 O10 P2 -","2","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0675","0.0521","","","0.1544","0.1701","","","","","","1.052","","","","has coordinates","204075","2020-10-21","18:00:00",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","204076","2020-10-21","18:00:00",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","204077","2020-10-21","18:00:00",""
"1548403","24.051","0.002","11.1897","0.0008","20.9345","0.0015","90","","93.412","0.005","90","","5624","0.7","","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 O4 P -","- C28 H32 Cl N2 O4 P -","- C224 H256 Cl8 N16 O32 P8 -","8","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.1833","0.1252","","","0.3351","0.3965","","","","","","1.065","","","","has coordinates","204078","2020-10-21","18:00:00",""
"1548404","10.0939","0.0006","24.1607","0.0014","9.0663","0.0005","90","","112.346","0.002","90","","2045","0.2","","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N O2 -","- C24 H19 Cl2 N O2 -","- C96 H76 Cl8 N4 O8 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0466","0.035","","","0.079","0.0857","","","","","","1.04","","","","has coordinates","204079","2020-10-21","18:00:00",""
"1548405","5.9996","0.0003","4.9812","0.0003","18.7925","0.001","90","","91.68","0.004","90","","561.38","0.05","","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Br O S -","- C14 H9 Br O S -","- C28 H18 Br2 O2 S2 -","2","1","","Harry J. Shrives; Jose A. Fernandez-Salas; Christin Hedtke; Alexander P. Pulis; David J. Procter","Regioselective synthesis of C3 alkylated and arylated benzothiophenes","Nature Communications","2017","8","","14801","","10.1038/ncomms14801","","x-ray","1.54178","CuKα","","0.0432","0.0411","","","0.11","0.1114","","","","","","1.065","","","","has coordinates","204080","2020-10-21","18:00:00",""
"1548406","8.0485","0.0008","10.3008","0.0011","24.936","0.002","90","","90.873","0.002","90","","2067.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Yan-Yun Liu; Xu-Heng Yang; Ren-Jie Song; Shenglian Luo; Jin-Heng Li","Oxidative 1,2-carboamination of alkenes with alkyl nitriles and amines toward gamma-amino alkyl nitriles","Nature Communications","2017","8","","14720","","10.1038/ncomms14720","","x-ray","0.71069","MoKα","","0.0902","0.0511","","","0.1153","0.1345","","","","","","1.028","","","","has coordinates","204081","2020-10-21","18:00:00",""
"1548412","10.0193","0.0005","11.4723","0.0006","10.4263","0.0005","90","","92.079","0.003","90","","1197.66","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","SBP-20160126","","","- C23 H26 N6 O6 S -","- C23 H26 N6 O6 S -","- C46 H52 N12 O12 S2 -","2","1","","Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park","Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction","Nature Communications","2016","7","","13196","","10.1038/ncomms13196","","","0.71073","","","0.317","0.138","","","0.2464","0.3164","","","","","","1.07","","","","has coordinates","204148","2020-10-21","18:00:00",""
"1548416","32.5104","0.0005","7.542","0.0001","18.7992","0.0013","90","","123.469","0.009","90","","3845.1","0.5","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C152 H240 O40 -","8","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.1209","0.1048","","","0.235","0.2509","","","","","","1.071","","","","has coordinates,has disorder","204152","2020-10-21","18:00:00",""
"1548417","11.4472","0.0004","5.3308","0.0002","28.617","0.002","90","","95.192","0.007","90","","1739.12","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 I N O3 S -","- C15 H20 I N O3 S -","- C60 H80 I4 N4 O12 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54187","CuKα","","0.0605","0.0439","","","0.1061","0.1201","","","","","","1.066","","","","has coordinates,has disorder","204153","2020-10-21","18:00:00",""
"1548418","5.9278","0.0001","8.3994","0.0002","31.263","0.002","90","","90","","90","","1556.58","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54178","CuKα","","0.044","0.0423","","","0.1102","0.1119","","","","","","1.103","","","","has coordinates","204154","2020-10-21","18:00:00",""
"1548420","8.5127","0.0002","9.9548","0.0002","16.5298","0.0012","85.838","0.006","75.41","0.005","84.304","0.006","1347.26","0.11","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H37 Br2 N O Si -","- C26 H37 Br2 N O Si -","- C52 H74 Br4 N2 O2 Si2 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0881","0.0716","","","0.1961","0.2677","","","","","","1.153","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1548421","14.2427","0.001","14.0437","0.0005","13.5442","0.0003","90","","111.769","0.008","90","","2515.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N O Si -","- C26 H39 N O Si -","- C104 H156 N4 O4 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54178","CuKα","","0.0797","0.0575","","","0.163","0.1852","","","","","","1.058","","","","has coordinates","204157","2020-10-21","18:00:00",""
"1548422","16.8831","0.0006","7.8642","0.0003","19.9523","0.0007","90","","100.544","0.004","90","","2604.38","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 N O2 Si -","- C27 H37 N O2 Si -","- C108 H148 N4 O8 Si4 -","4","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54184","CuKα","","0.0715","0.0633","","","0.1138","0.1176","","","","","","1.01","","","","has coordinates,has disorder","204158","2020-10-21","18:00:00",""
"1548423","10.9419","0.0001","13.4756","0.0002","18.147","0.0012","83.987","0.006","80.786","0.006","68.014","0.005","2446.21","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 N4 O9 Si2 -","- C45 H62 N4 O9 Si2 -","- C90 H124 N8 O18 Si4 -","2","1","","Xijian Li; Siyu Peng; Li Li; Yong Huang","Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions","Nature Communications","2015","6","","6913","","10.1038/ncomms7913","","","1.54187","CuKα","","0.0805","0.0593","","","0.1211","0.1403","","","","","","1.01","","","","has coordinates","204159","2020-10-21","18:00:00",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","204215","2020-10-21","18:00:00",""
"1548470","13.0627","0.0008","22.7178","0.0012","18.8564","0.0009","90","","107.908","0.0012","90","","5324.6","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 F3 N5 O9 S Si2 -","- C44 H70 F3 N5 O9 S Si2 -","- C176 H280 F12 N20 O36 S4 Si8 -","4","1","","Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino","Total synthesis of palau'amine","Nature Communications","2015","6","","8731","","10.1038/ncomms9731","","","0.71075","MoKα","","","0.0943","","","","0.2443","","","","","","1.091","","","","has coordinates","204314","2020-10-21","18:00:00",""
"1548474","9.5905","0.0002","9.5905","0.0002","19.7424","0.0005","90","","90","","90","","1815.86","0.07","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C21 H25 N O3 -","- C21 H24 N O3 -","- C84 H96 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0304","0.0286","","","0.0715","0.0726","","","","","","1.042","","","","has coordinates","204342","2020-10-21","18:00:00",""
"1548475","8.8437","0.0009","13.309","0.0013","16.8901","0.0017","90","","90","","90","","1988","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0605","0.0389","","","0.0911","0.1024","","","","","","1.018","","","","has coordinates","204343","2020-10-21","18:00:00",""
"1548476","10.6408","0.0003","17.7283","0.0005","18.1077","0.0005","90","","90","","90","","3415.9","0.17","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C144 H200 N8 O24 -","8","2","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.07","0.0435","","","0.0928","0.1034","","","","","","1.013","","","","has coordinates","204344","2020-10-21","18:00:00",""
"1548477","9.3102","0.0003","9.6848","0.0003","18.5136","0.0006","90","","90","","90","","1669.32","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0351","0.032","","","0.0775","0.0798","","","","","","1.069","","","","has coordinates","204345","2020-10-21","18:00:00",""
"1548478","30.107","0.003","5.8007","0.0005","11.5447","0.001","90","","99.634","0.004","90","","1987.8","0.3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0615","0.0445","","","0.1123","0.1244","","","","","","0.998","","","","has coordinates","204346","2020-10-21","18:00:00",""
"1548479","12.8285","0.0006","12.8285","0.0006","18.0935","0.0009","90","","90","","90","","2977.7","0.2","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C112 H184 N8 O24 -","8","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0633","0.0386","","","0.0793","0.0883","","","","","","1.021","","","","has coordinates","204347","2020-10-21","18:00:00",""
"1548480","5.0728","0.0003","14.5938","0.0007","15.1058","0.0008","83.648","0.003","81.203","0.003","83.714","0.003","1093.47","0.1","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H16 N O3 -","- C10 H16 N O3 -","- C40 H64 N4 O12 -","4","4","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","1.54178","CuKα","","0.0708","0.0664","","","0.2111","0.2158","","","","","","1.112","","","","has coordinates","204348","2020-10-21","18:00:00",""
"1548496","8.4096","0.0006","15.0102","0.0012","18.0794","0.0014","90","","90","","90","","2282.2","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C100 H96 N8 O20 S4 -","4","1","","Ming Yang; Jian Li; Ang Li","Total synthesis of clostrubin","Nature Communications","2015","6","","6445","","10.1038/ncomms7445","","x-ray","0.71073","MoKα","","","0.04","","","0.102","","","","","","","1.03","","","","has coordinates","204396","2020-10-21","18:00:00",""
"1548561","25.728","0.006","25.728","0.006","6.5313","0.0016","90","","90","","90","","4323.3","1.8","","","140","","","","","","","","","4","I 4","I 4","79","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.054","","","0.12","","","","","","","","","","","has coordinates","204652","2020-10-21","18:00:00",""
"1548562","7.3863","0.0015","6.6732","0.0013","19.53","0.004","90","","90.68","0.03","90","","962.6","0.3","","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","1.54178","CuKα","","","0.034","","","0.088","","","","","","","1.06","","","","has coordinates","204653","2020-10-21","18:00:00",""
"1548563","10.6277","0.001","11.3209","0.0011","15.3086","0.0015","70.82","0.002","77.972","0.002","66.025","0.002","1583.5","0.3","","","140","","","","","","","","","6","P 1","P 1","1","","","","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","- C34 H43 N O5 S Si -","1","1","","Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li","Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families","Nature Communications","2015","6","","6096","","10.1038/ncomms7096","","x-ray","0.71073","MoKα","","","0.04","","","0.134","","","","","","","1.02","","","","has coordinates","204654","2020-10-21","18:00:00",""
"1552076","3.6254","0.0017","6.407","0.007","4.948","0.003","90","","111.48","0.06","90","","106.95","0.15","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rhenium nitride pernitride","","- N2 Re -","- N2 Re -","- N8 Re4 -","4","1","","Bykov, Maxim; Chariton Stella; Fedotenko Timofey; Ponomareva Alena V.; Tasnadi Ferenc; Vogel Sebastian; Schnick Wolfgang; Prakapenka Vitali; Hanfland Michael; Liermann Hanns-Peter; Abrikosov Igor A.; Dubrovinskaia Natalia; Dubrovinsky Leonid","High-pressure synthesis of an ultraincompressible and hard material ReN2 stable at ambient conditions","Nature Communications","2019","10","","2994","","10.1038/s41467-019-10995-3","","x-ray","0.2903","synchrotron","","0.0351","0.035","","","0.088","0.0882","","","","","","1.103","","","","has coordinates,has Fobs","216895","2020-10-21","18:00:00",""
"1552077","18.868","0.007","14.993","0.006","23.283","0.009","90","","107.387","0.006","90","","6286","4","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 F6 N6 O10 Pd2 S2 -","- C48 H64 F6 N6 O10 Pd2 S2 -","- C192 H256 F24 N24 O40 Pd8 S8 -","4","0.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.1522","0.075","","","0.1959","0.2223","","","","","","0.9","","","","has coordinates","216896","2020-10-21","18:00:00",""
"1552078","32.76","0.004","32.76","0.004","35.29","0.004","90","","90","","90","","37874","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C264 H280 N32 O16 Pd8 Zn2 -","- C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064 -","- C528 H560 N64 O32 Pd16 Zn4 -","47","2.9375","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.2777","0.2481","","","0.4594","0.4865","","","","","","3.84","","","","has coordinates","216897","2020-10-21","18:00:00",""
"1552079","32.16","","32.16","","34.85","","90","","90","","90","","36044.2","","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C340 H280 N32 O16 Pd8 Zn2 -","- C28.3333 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C680 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3349","0.267","","","0.4862","0.5691","","","","","","2.623","","","","has coordinates,has disorder","216898","2020-10-21","18:00:00",""
"1552080","32.202","0.004","32.202","0.004","34.972","0.005","90","","90","","90","","36265","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C380 H280 N23 O16 Pd8 Z -","- C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C760 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3899","0.301","","","0.4971","0.5571","","","","","","2.922","","","","has coordinates,has disorder","216899","2020-10-21","18:00:00",""
"1564658","9.4633","0.0005","24.9968","0.0012","14.8197","0.0008","90","","92.583","0.002","90","","3502.1","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C56 H56 Cl12 F80 O36 S12 Sb12 -","4","1","","Hoffmann, Kurt F.; Wiesner, Anja; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Kazim, Muhammad; Pitts, Cody Ross; Lectka, Thomas; Riedel, Sebastian","Structural proof of a [C‒F‒C]+ fluoronium cation","Nature Communications","2021","12","1","5275","","10.1038/s41467-021-25592-6","","","0.71073","MoKα","","0.0247","0.0233","","","0.0528","0.0535","","","","","","1.149","","","","has coordinates,has disorder","269154","2021-09-15","18:28:06",""
"1566634","6.356","0.00021","6.356","","6.356","","90","","90","","90","","256.774","0.008","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H.","Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate","Nature Communications","2020","11","","464","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273828","2022-03-20","01:01:03",""
"1566653","8.61942","0.00007","8.61942","","5.59301","0.00008","90","","90","","90","","415.529","0.007","","","","","","","","","","","","2","P -4","P -4","81","Ice XIX","","","- D2 O -","- D1.9992 O -","- D39.984 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273847","2022-03-20","11:55:53",""
"1566654","8.6278","0.0004","8.6114","0.0004","5.59299","0.00008","90","","90","","90","","415.54","0.03","","","","","","","","","","","","2","P c c 2","P 2 -2c","27","Ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273848","2022-03-20","11:56:48",""
"1566655","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","","","","","","","","","","2","P -4","P -4","81","ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.","Structural characterization of ice XIX as the second polymorph related to ice VI","Nature Communications","2021","12","","1128","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273851","2022-03-21","00:29:09",""
"1566656","8.3966","0.0003","5.4546","0.0001","8.3737","0.0003","90","","90","","90","","383.52","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- D2 O -","- D2 O -","- D40 O20 -","20","2.5","","Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.","Structure and nature of ice XIX","Nature Communications","2021","12","","3162","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273852","2022-03-21","01:01:58",""
"4344922","29.2649","0.0004","7.8975","0.0001","42.5654","0.0007","90","","90","","90","","9837.7","0.2","100","0.3","100","0.3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H33 N O9 Zn -","- C35 H33 N O9 Zn -","- C280 H264 N8 O72 Zn8 -","8","1","","Li, Wei-Jin; Liu, Juan; Sun, Zhi-Hua; Liu, Tian-Fu; Lü, Jian; Gao, Shui-Ying; He, Chao; Cao, Rong; Luo, Jun-Hua","Integration of metal-organic frameworks into an electrochemical dielectric thin film for electronic applications","Nature Communications","2016","7","15","11830","","10.1038/ncomms11830","","","1.54184","CuKα","","0.0809","0.0697","","","0.2013","0.2105","","","","","","1.084","","","","has coordinates","189228","2020-10-21","18:00:00",""
"9014304","10.657","0.003","5.887","0.001","7.228","0.002","90","","95.035","0.008","90","","451.7","0.2","323","","323","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu6 H12 O22 V4 -","2","0.25","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0413","","","","0.1223","","","","","","1.407","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016228","10.6418","0.0001","5.8485","0.0001","14.4157","0.0001","90","","95.443","0.001","90","","893.17","0.02","150","","150","","","","","","","","Synthetic","4","I 1 2/a 1","-I 2ya","15","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu12 H24 O44 V8 -","4","0.5","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0293","","","","0.0767","","","","","","1.144","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017775","2.866","","2.866","","2.866","","90","","90","","90","","23.541","","","","","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al -","- Al2 -","- Al2 -","","","","Vailionis, A.; Gamaly, E. G.; Mizeikis, V.; Yang, W.; Rode, A. V.; Juodkazis, S.","Evidence of superdense aluminium synthesized by ultrafast microexplosion","Nature Communications","2011","2","","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""